smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)c1cccc2nccnc21 ZINC000012031055 962225372 /nfs/dbraw/zinc/22/53/72/962225372.db2.gz DBHOPMWKTJGMGY-DEOSSOPVSA-N 1 1 424.504 3.996 50 0 HHAAMO CC(=O)N1CCC([N@@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 ZINC000012055933 962230886 /nfs/dbraw/zinc/23/08/86/962230886.db2.gz APMNXJULRCSLBN-UHFFFAOYSA-N 1 1 423.538 3.874 50 0 HHAAMO CC(=O)N1CCC([N@H+]2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)CC1 ZINC000012055933 962230891 /nfs/dbraw/zinc/23/08/91/962230891.db2.gz APMNXJULRCSLBN-UHFFFAOYSA-N 1 1 423.538 3.874 50 0 HHAAMO Cc1nc(CNCc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)cs1 ZINC000012076817 962234524 /nfs/dbraw/zinc/23/45/24/962234524.db2.gz XVCSOKPXMHVAGP-OAQYLSRUSA-N 1 1 403.592 3.746 50 0 HHAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000012297954 962267291 /nfs/dbraw/zinc/26/72/91/962267291.db2.gz IDIFAQZMVDDSCP-GOSISDBHSA-N 1 1 407.967 3.719 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 ZINC000012315958 962270246 /nfs/dbraw/zinc/27/02/46/962270246.db2.gz ZOPUIDSPNJAHKK-OAQYLSRUSA-N 1 1 403.523 3.728 50 0 HHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)c1[nH]nc2ccccc21 ZINC000012317233 962270620 /nfs/dbraw/zinc/27/06/20/962270620.db2.gz KXDGRJDPJUCYBU-OAHLLOKOSA-N 1 1 405.527 3.815 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012431150 962278955 /nfs/dbraw/zinc/27/89/55/962278955.db2.gz COXYVKGMEWBGST-OAQYLSRUSA-N 1 1 400.526 3.999 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000012456469 962282068 /nfs/dbraw/zinc/28/20/68/962282068.db2.gz AAEKLLNHPOWZGU-UXHICEINSA-N 1 1 419.997 3.802 50 0 HHAAMO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)[N@H+]3CCC[C@@]123 ZINC000012712320 962317637 /nfs/dbraw/zinc/31/76/37/962317637.db2.gz NOVGIWLDHTVHCS-XZOYJPPVSA-N 1 1 404.514 3.949 50 0 HHAAMO CN(C)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)o1 ZINC000012711710 962317707 /nfs/dbraw/zinc/31/77/07/962317707.db2.gz KWVLHJICAZCAIZ-IBGZPJMESA-N 1 1 401.526 3.507 50 0 HHAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)[N@H+]3CCC[C@@]123 ZINC000015064086 962645367 /nfs/dbraw/zinc/64/53/67/962645367.db2.gz LDYIDKUIXASZQL-OEOAZWSVSA-N 1 1 416.550 3.597 50 0 HHAAMO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c1OC ZINC000019222081 963357931 /nfs/dbraw/zinc/35/79/31/963357931.db2.gz VINNPEONMNZKDA-JOCHJYFZSA-N 1 1 409.574 3.799 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)c1OC ZINC000019222081 963357941 /nfs/dbraw/zinc/35/79/41/963357941.db2.gz VINNPEONMNZKDA-JOCHJYFZSA-N 1 1 409.574 3.799 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(CC(C)C)n[nH]4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000019782150 963375414 /nfs/dbraw/zinc/37/54/14/963375414.db2.gz YMYGLFQQYUWGGB-OEOAZWSVSA-N 1 1 408.546 3.555 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(CC(C)C)n[nH]4)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000019782150 963375421 /nfs/dbraw/zinc/37/54/21/963375421.db2.gz YMYGLFQQYUWGGB-OEOAZWSVSA-N 1 1 408.546 3.555 50 0 HHAAMO O=C1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CCN1Cc1ccccn1 ZINC000020119029 963384161 /nfs/dbraw/zinc/38/41/61/963384161.db2.gz UJKSGGQPFJXLTQ-UHFFFAOYSA-N 1 1 401.510 3.895 50 0 HHAAMO Cc1nc(NCc2cccc(Cl)c2)sc1-c1ccn(CC[NH+]2CCOCC2)n1 ZINC000020166108 963385060 /nfs/dbraw/zinc/38/50/60/963385060.db2.gz KEHSOSWDFXFFOB-UHFFFAOYSA-N 1 1 417.966 3.913 50 0 HHAAMO O=C(NC1CCCC1)c1cn([C@H]2CCC[N@@H+](C/C(Cl)=C/c3ccccc3)C2)nn1 ZINC000020351405 963387027 /nfs/dbraw/zinc/38/70/27/963387027.db2.gz DWXILIHFNWOJQA-LVSKKATPSA-N 1 1 413.953 3.867 50 0 HHAAMO O=C(NC1CCCC1)c1cn([C@H]2CCC[N@H+](C/C(Cl)=C/c3ccccc3)C2)nn1 ZINC000020351405 963387040 /nfs/dbraw/zinc/38/70/40/963387040.db2.gz DWXILIHFNWOJQA-LVSKKATPSA-N 1 1 413.953 3.867 50 0 HHAAMO Cc1ccccc1-c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000023358770 963807328 /nfs/dbraw/zinc/80/73/28/963807328.db2.gz LYMRGEPJOZHWFK-VWLOTQADSA-N 1 1 407.602 3.625 50 0 HHAAMO COCc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)s1 ZINC000055042490 965739677 /nfs/dbraw/zinc/73/96/77/965739677.db2.gz DKXOWOYNHMQPST-LJQANCHMSA-N 1 1 413.587 3.630 50 0 HHAAMO COCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)s1 ZINC000055042491 965739804 /nfs/dbraw/zinc/73/98/04/965739804.db2.gz DKXOWOYNHMQPST-IBGZPJMESA-N 1 1 413.587 3.630 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000107497278 969309876 /nfs/dbraw/zinc/30/98/76/969309876.db2.gz OPABPTVSICDWEI-RBUKOAKNSA-N 1 1 421.501 3.675 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000107497278 969309881 /nfs/dbraw/zinc/30/98/81/969309881.db2.gz OPABPTVSICDWEI-RBUKOAKNSA-N 1 1 421.501 3.675 50 0 HHAAMO Cc1c(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCC(C)CC3)C2)cnn1C ZINC000169765044 970473097 /nfs/dbraw/zinc/47/30/97/970473097.db2.gz MNVGFHIETGMVCR-OAQYLSRUSA-N 1 1 424.589 3.892 50 0 HHAAMO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)C1CC1)[C@@H]23)NCc1ccccc1 ZINC000257178377 970617408 /nfs/dbraw/zinc/61/74/08/970617408.db2.gz BSVVOXKOZJKKCY-KBOSCXGNSA-N 1 1 423.601 3.585 50 0 HHAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)[C@@H](O)CCCCCN4C)CC2)cc1 ZINC000257180019 970618569 /nfs/dbraw/zinc/61/85/69/970618569.db2.gz JYUNKRGTSFUUDM-VWLOTQADSA-N 1 1 421.585 3.997 50 0 HHAAMO COCCO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(C)c3)CC2)C12CCCCC2 ZINC000257186085 970621135 /nfs/dbraw/zinc/62/11/35/970621135.db2.gz YJWSNKIZWKMLJY-JOCHJYFZSA-N 1 1 400.563 3.650 50 0 HHAAMO O=C(c1cccnc1)N1CCC([C@H]2c3nccn3CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000257188275 970622834 /nfs/dbraw/zinc/62/28/34/970622834.db2.gz FABJQUVSEXBIBU-QHCPKHFHSA-N 1 1 415.541 3.778 50 0 HHAAMO COCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2Cl)CC12CCCCC2 ZINC000409420386 972890565 /nfs/dbraw/zinc/89/05/65/972890565.db2.gz MFHTUOOANRALGY-KRWDZBQOSA-N 1 1 424.969 3.502 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557930 520508379 /nfs/dbraw/zinc/50/83/79/520508379.db2.gz VVTIHSIMEIVWEJ-OAQYLSRUSA-N 1 1 411.477 3.519 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557930 520508383 /nfs/dbraw/zinc/50/83/83/520508383.db2.gz VVTIHSIMEIVWEJ-OAQYLSRUSA-N 1 1 411.477 3.519 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)CC2)c1 ZINC000032824704 524549528 /nfs/dbraw/zinc/54/95/28/524549528.db2.gz ALHDHAHVPRZFKE-NHCUHLMSSA-N 1 1 407.558 3.567 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000032824901 524614679 /nfs/dbraw/zinc/61/46/79/524614679.db2.gz VGDGFIAODXQEMU-ROUUACIJSA-N 1 1 406.530 3.535 50 0 HHAAMO C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000032753540 524876497 /nfs/dbraw/zinc/87/64/97/524876497.db2.gz FHUKMQRWXQGCLQ-FLVLSHQESA-N 1 1 412.559 3.676 50 0 HHAAMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000032722555 524908042 /nfs/dbraw/zinc/90/80/42/524908042.db2.gz GJOOTGPPTQJLDA-MOPGFXCFSA-N 1 1 415.965 3.743 50 0 HHAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc12 ZINC000020597574 525686340 /nfs/dbraw/zinc/68/63/40/525686340.db2.gz WXHWDZNPSIUQKN-UHFFFAOYSA-N 1 1 418.585 3.674 50 0 HHAAMO CSc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000040930049 525992789 /nfs/dbraw/zinc/99/27/89/525992789.db2.gz FFGOTFAVUKIXCZ-UHFFFAOYSA-N 1 1 422.554 3.987 50 0 HHAAMO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000032974194 526082166 /nfs/dbraw/zinc/08/21/66/526082166.db2.gz CLDDXZWWIHOQMZ-UHFFFAOYSA-N 1 1 421.585 3.876 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000043083391 526256264 /nfs/dbraw/zinc/25/62/64/526256264.db2.gz IGLVHPCDDMUATD-HXUWFJFHSA-N 1 1 410.587 3.824 50 0 HHAAMO Cc1sc2ncn(CC(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(=O)c2c1C ZINC000032933021 526897819 /nfs/dbraw/zinc/89/78/19/526897819.db2.gz YNNJEESTDBWRHW-HNNXBMFYSA-N 1 1 424.570 3.945 50 0 HHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000043732500 527119818 /nfs/dbraw/zinc/11/98/18/527119818.db2.gz XRJIPHKFTHOBFC-YDZRNGNQSA-N 1 1 411.299 3.774 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000001441579 557264624 /nfs/dbraw/zinc/26/46/24/557264624.db2.gz LHBGMZSJMNEWCJ-IBGZPJMESA-N 1 1 421.522 3.816 50 0 HHAAMO CCc1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4cccc(F)c4)co3)CC2)cc1 ZINC000034678067 557366020 /nfs/dbraw/zinc/36/60/20/557366020.db2.gz JSHSJZHRBZXZSM-UHFFFAOYSA-N 1 1 422.504 3.946 50 0 HHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681916 557383987 /nfs/dbraw/zinc/38/39/87/557383987.db2.gz QAGIVYQVHBQAEV-UHFFFAOYSA-N 1 1 423.467 3.719 50 0 HHAAMO CCCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855776 557477148 /nfs/dbraw/zinc/47/71/48/557477148.db2.gz IFKXPWWPXNSGDD-GAJHUEQPSA-N 1 1 411.546 3.901 50 0 HHAAMO CCCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855776 557477150 /nfs/dbraw/zinc/47/71/50/557477150.db2.gz IFKXPWWPXNSGDD-GAJHUEQPSA-N 1 1 411.546 3.901 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+]([C@H](C)c4ccccc4)CC3)n(C)n2)cc1 ZINC000034903079 557481639 /nfs/dbraw/zinc/48/16/39/557481639.db2.gz AIYXEYVBLXANQO-GOSISDBHSA-N 1 1 404.514 3.615 50 0 HHAAMO O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000004324610 557541639 /nfs/dbraw/zinc/54/16/39/557541639.db2.gz MRIYCLPDDMXABA-UHFFFAOYSA-N 1 1 419.399 3.994 50 0 HHAAMO O=S(=O)(c1cc(Cl)sc1Cl)N1CCC[N@@H+](CCc2ccccc2)CC1 ZINC000004324610 557541643 /nfs/dbraw/zinc/54/16/43/557541643.db2.gz MRIYCLPDDMXABA-UHFFFAOYSA-N 1 1 419.399 3.994 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(Nc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004704147 557584461 /nfs/dbraw/zinc/58/44/61/557584461.db2.gz VHAPVSCJNRSHHY-IBGZPJMESA-N 1 1 401.869 3.688 50 0 HHAAMO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009015881 557819668 /nfs/dbraw/zinc/81/96/68/557819668.db2.gz BMVRSLZBPOIYOT-FQEVSTJZSA-N 1 1 423.469 3.892 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 ZINC000011662983 558266671 /nfs/dbraw/zinc/26/66/71/558266671.db2.gz IUUBWZAPFHIWSH-GOSISDBHSA-N 1 1 402.535 3.828 50 0 HHAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000011704768 558270913 /nfs/dbraw/zinc/27/09/13/558270913.db2.gz OJBGQDBVLRNHQS-HXUWFJFHSA-N 1 1 412.603 3.518 50 0 HHAAMO COc1ccc(N[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)cc1OC ZINC000011754012 558272702 /nfs/dbraw/zinc/27/27/02/558272702.db2.gz ZLGMWTJAGWLSIY-NRFANRHFSA-N 1 1 410.562 3.640 50 0 HHAAMO COCC[N@@H+](Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011838319 558285246 /nfs/dbraw/zinc/28/52/46/558285246.db2.gz GRHSEJLAKLUCAD-UHFFFAOYSA-N 1 1 404.526 3.926 50 0 HHAAMO COCC[N@H+](Cc1ccc(COC)o1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011838319 558285249 /nfs/dbraw/zinc/28/52/49/558285249.db2.gz GRHSEJLAKLUCAD-UHFFFAOYSA-N 1 1 404.526 3.926 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000011842947 558287957 /nfs/dbraw/zinc/28/79/57/558287957.db2.gz YMNRNSCDGQBGTR-INIZCTEOSA-N 1 1 402.457 3.512 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccccc2N(C)C)C1 ZINC000011873497 558291116 /nfs/dbraw/zinc/29/11/16/558291116.db2.gz WGTSNFNHLLTOBJ-FQEVSTJZSA-N 1 1 409.574 3.788 50 0 HHAAMO CCOC(=O)C1CCN(c2ccccc2C[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019834915 558292428 /nfs/dbraw/zinc/29/24/28/558292428.db2.gz XQUZNSHJVXVSQK-UHFFFAOYSA-N 1 1 421.585 3.784 50 0 HHAAMO CCn1ncc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C ZINC000011878310 558292848 /nfs/dbraw/zinc/29/28/48/558292848.db2.gz BMTZNCBUAYSUOA-SFHVURJKSA-N 1 1 414.550 3.860 50 0 HHAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000011980677 558306060 /nfs/dbraw/zinc/30/60/60/558306060.db2.gz JUTGIKDGHRYUHP-FQEVSTJZSA-N 1 1 417.557 3.753 50 0 HHAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4cccc(OC)c4OC)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012002898 558308743 /nfs/dbraw/zinc/30/87/43/558308743.db2.gz NJONVCYWAWSSHV-YFBXQHAESA-N 1 1 408.498 3.655 50 0 HHAAMO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([N@@H+](C)CC(C)C)C4)c1 ZINC000012041180 558312808 /nfs/dbraw/zinc/31/28/08/558312808.db2.gz BPGOJUNFWXJYFX-KRWDZBQOSA-N 1 1 411.571 3.960 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000019958356 558315273 /nfs/dbraw/zinc/31/52/73/558315273.db2.gz CSEBTKHCYMBCII-MRXNPFEDSA-N 1 1 411.329 3.564 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000019958361 558315333 /nfs/dbraw/zinc/31/53/33/558315333.db2.gz CSEBTKHCYMBCII-INIZCTEOSA-N 1 1 411.329 3.564 50 0 HHAAMO Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)cc1 ZINC000012155560 558339972 /nfs/dbraw/zinc/33/99/72/558339972.db2.gz VPTDDOBAKURZHH-IBGZPJMESA-N 1 1 406.530 3.558 50 0 HHAAMO Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)cc1 ZINC000012155560 558339974 /nfs/dbraw/zinc/33/99/74/558339974.db2.gz VPTDDOBAKURZHH-IBGZPJMESA-N 1 1 406.530 3.558 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNc1ncnc2sc(C(=O)NCc3ccccc3)c(C)c21 ZINC000012190750 558347641 /nfs/dbraw/zinc/34/76/41/558347641.db2.gz FYBHQAODWGTILU-KRWDZBQOSA-N 1 1 409.559 3.826 50 0 HHAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)c1OC ZINC000012192453 558348098 /nfs/dbraw/zinc/34/80/98/558348098.db2.gz ZLROBFLQINHSMG-KRWDZBQOSA-N 1 1 407.514 3.827 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OC)c(OC)c3OC)C2)cc1F ZINC000012200974 558351238 /nfs/dbraw/zinc/35/12/38/558351238.db2.gz FANWZABIYGJGJQ-MRXNPFEDSA-N 1 1 417.477 3.955 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3OC)C2)cc1F ZINC000012200974 558351241 /nfs/dbraw/zinc/35/12/41/558351241.db2.gz FANWZABIYGJGJQ-MRXNPFEDSA-N 1 1 417.477 3.955 50 0 HHAAMO CCc1c(C(=O)N(C)Cc2cccs2)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000012212313 558354131 /nfs/dbraw/zinc/35/41/31/558354131.db2.gz AAHSFIHJQPQPJV-KRWDZBQOSA-N 1 1 401.576 3.537 50 0 HHAAMO Cc1c(Cl)ccc2c(C(=O)NCCC[NH+]3CCOCC3)cc(-c3ccccn3)nc12 ZINC000020295532 558354461 /nfs/dbraw/zinc/35/44/61/558354461.db2.gz SHRFEMANKNDQSG-UHFFFAOYSA-N 1 1 424.932 3.711 50 0 HHAAMO CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCC[NH+]4CCOCC4)c23)CO1 ZINC000020358186 558357841 /nfs/dbraw/zinc/35/78/41/558357841.db2.gz FNDMRPKHHBYNIL-HXUWFJFHSA-N 1 1 422.620 3.789 50 0 HHAAMO CCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020392938 558359380 /nfs/dbraw/zinc/35/93/80/558359380.db2.gz MGKVYNNFRSVOGN-UHFFFAOYSA-N 1 1 422.620 3.789 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]32)cc1 ZINC000012245433 558361428 /nfs/dbraw/zinc/36/14/28/558361428.db2.gz HABVNGWJOWCDQF-NOZRDPDXSA-N 1 1 420.553 3.824 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 ZINC000012298875 558368920 /nfs/dbraw/zinc/36/89/20/558368920.db2.gz JASKYEOPUKLTNW-QGZVFWFLSA-N 1 1 415.534 3.748 50 0 HHAAMO Cc1cc(C)c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000012314478 558377855 /nfs/dbraw/zinc/37/78/55/558377855.db2.gz KITZLUXXKRQRIF-HXUWFJFHSA-N 1 1 415.553 3.952 50 0 HHAAMO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c(Cl)cc1O ZINC000012314555 558378085 /nfs/dbraw/zinc/37/80/85/558378085.db2.gz CUBVILDEQDDLDY-INIZCTEOSA-N 1 1 404.894 3.902 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c(Cl)cc1O ZINC000012314555 558378088 /nfs/dbraw/zinc/37/80/88/558378088.db2.gz CUBVILDEQDDLDY-INIZCTEOSA-N 1 1 404.894 3.902 50 0 HHAAMO C/C=C/c1ccc(OCCOCC[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000020500168 558380767 /nfs/dbraw/zinc/38/07/67/558380767.db2.gz DLQFWHMSLKNRKJ-XVNBXDOJSA-N 1 1 410.558 3.942 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000020517767 558383154 /nfs/dbraw/zinc/38/31/54/558383154.db2.gz GCEXEQFACKFRMH-DAMBIUFKSA-N 1 1 409.917 3.942 50 0 HHAAMO Cc1nn2c(nc3c(c2NCCC[NH+]2CCOCC2)CCCC3)c1-c1ccccc1 ZINC000020518596 558383507 /nfs/dbraw/zinc/38/35/07/558383507.db2.gz GZJXYWFKMKTSHD-UHFFFAOYSA-N 1 1 405.546 3.718 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000012373204 558390630 /nfs/dbraw/zinc/39/06/30/558390630.db2.gz LXXJMZCPDFQMNN-AWEZNQCLSA-N 1 1 406.885 3.835 50 0 HHAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccsc1 ZINC000012373306 558390639 /nfs/dbraw/zinc/39/06/39/558390639.db2.gz GTBAVGKKIMWVSV-GOSISDBHSA-N 1 1 403.567 3.803 50 0 HHAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000012438346 558409841 /nfs/dbraw/zinc/40/98/41/558409841.db2.gz XOIJRANIXLJEPX-HXUWFJFHSA-N 1 1 421.545 3.860 50 0 HHAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020998002 558427574 /nfs/dbraw/zinc/42/75/74/558427574.db2.gz KHIDEZSFUASJQW-JOCHJYFZSA-N 1 1 421.545 3.619 50 0 HHAAMO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(OC)c2OC)C3)c1 ZINC000021038374 558430100 /nfs/dbraw/zinc/43/01/00/558430100.db2.gz RHRXCCUVPAZMSG-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1cccc(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(OC)c2OC)C3)c1 ZINC000021038374 558430103 /nfs/dbraw/zinc/43/01/03/558430103.db2.gz RHRXCCUVPAZMSG-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012590567 558435581 /nfs/dbraw/zinc/43/55/81/558435581.db2.gz NNTAIFPQXMBXNX-HNNXBMFYSA-N 1 1 424.923 3.969 50 0 HHAAMO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795204 558449504 /nfs/dbraw/zinc/44/95/04/558449504.db2.gz JVZIPLFNYJHAGG-UHFFFAOYSA-N 1 1 424.549 3.528 50 0 HHAAMO CCCn1ncc(C[N@H+]2CCC[C@@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C ZINC000012707337 558450264 /nfs/dbraw/zinc/45/02/64/558450264.db2.gz UXNPYKVMKYXZSP-DEOSSOPVSA-N 1 1 413.562 3.998 50 0 HHAAMO COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012713153 558453868 /nfs/dbraw/zinc/45/38/68/558453868.db2.gz AZVZRLKEIYAMKM-DEOSSOPVSA-N 1 1 400.563 3.968 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000022011664 558457803 /nfs/dbraw/zinc/45/78/03/558457803.db2.gz CYYLYJKIKTYRDN-QFIPXVFZSA-N 1 1 409.530 3.521 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccccc1Cl ZINC000022620035 558503223 /nfs/dbraw/zinc/50/32/23/558503223.db2.gz MHWPGYNADDIEFV-WIYYLYMNSA-N 1 1 402.922 3.931 50 0 HHAAMO Cc1ccc(CNC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000022915548 558521410 /nfs/dbraw/zinc/52/14/10/558521410.db2.gz RTUGZDWNDTXQRN-UHFFFAOYSA-N 1 1 403.929 3.612 50 0 HHAAMO Cc1ccc(CNC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000022915548 558521413 /nfs/dbraw/zinc/52/14/13/558521413.db2.gz RTUGZDWNDTXQRN-UHFFFAOYSA-N 1 1 403.929 3.612 50 0 HHAAMO Cc1ccc(CNC(=O)C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC000022915548 558521416 /nfs/dbraw/zinc/52/14/16/558521416.db2.gz RTUGZDWNDTXQRN-UHFFFAOYSA-N 1 1 403.929 3.612 50 0 HHAAMO Cc1ccc(CNC(=O)C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC000022915548 558521419 /nfs/dbraw/zinc/52/14/19/558521419.db2.gz RTUGZDWNDTXQRN-UHFFFAOYSA-N 1 1 403.929 3.612 50 0 HHAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccc(F)cc1F ZINC000022930928 558524203 /nfs/dbraw/zinc/52/42/03/558524203.db2.gz DZTKSACOHYWXBM-UHFFFAOYSA-N 1 1 401.482 3.936 50 0 HHAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC000023055396 558532564 /nfs/dbraw/zinc/53/25/64/558532564.db2.gz OPZCBQKWJRTBMJ-AWEZNQCLSA-N 1 1 419.319 3.988 50 0 HHAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC000023055396 558532567 /nfs/dbraw/zinc/53/25/67/558532567.db2.gz OPZCBQKWJRTBMJ-AWEZNQCLSA-N 1 1 419.319 3.988 50 0 HHAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000023359408 558551929 /nfs/dbraw/zinc/55/19/29/558551929.db2.gz OSZYZHZVTDETFN-IBGZPJMESA-N 1 1 414.575 3.549 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000023366648 558552871 /nfs/dbraw/zinc/55/28/71/558552871.db2.gz ZHYYLGPZVGUWDR-OAQYLSRUSA-N 1 1 419.573 3.662 50 0 HHAAMO C[C@@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CC[N@H+]1C ZINC000023375473 558554884 /nfs/dbraw/zinc/55/48/84/558554884.db2.gz YWMVMYBOCBTWHG-QGZVFWFLSA-N 1 1 417.985 3.530 50 0 HHAAMO O=C1CC[N@H+](CCCc2ccccc2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000014886289 558677418 /nfs/dbraw/zinc/67/74/18/558677418.db2.gz QWDNKDXCUHUMMO-UHFFFAOYSA-N 1 1 400.906 3.736 50 0 HHAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014955640 558682321 /nfs/dbraw/zinc/68/23/21/558682321.db2.gz MOJABNPCIKVSHX-SFHVURJKSA-N 1 1 423.483 3.579 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCC2)cc1 ZINC000028288472 558695336 /nfs/dbraw/zinc/69/53/36/558695336.db2.gz BMGFYYMCPXONHI-NRFANRHFSA-N 1 1 420.509 3.985 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028291754 558697815 /nfs/dbraw/zinc/69/78/15/558697815.db2.gz RQSVPRWIOOTQMZ-FQEVSTJZSA-N 1 1 406.482 3.677 50 0 HHAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000015061584 558704746 /nfs/dbraw/zinc/70/47/46/558704746.db2.gz VSVSKAQCOIPQBS-QFIPXVFZSA-N 1 1 402.498 3.800 50 0 HHAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000015061584 558704748 /nfs/dbraw/zinc/70/47/48/558704748.db2.gz VSVSKAQCOIPQBS-QFIPXVFZSA-N 1 1 402.498 3.800 50 0 HHAAMO COc1cc(-c2nc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)c(C)o2)ccc1F ZINC000015073909 558714804 /nfs/dbraw/zinc/71/48/04/558714804.db2.gz DBPRQXBOGSSJDH-UHFFFAOYSA-N 1 1 401.482 3.632 50 0 HHAAMO COc1ccc([C@@H]2[C@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@H+]2C)cc1 ZINC000072289682 558722522 /nfs/dbraw/zinc/72/25/22/558722522.db2.gz UYCUZMNLVLTQNF-GHTZIAJQSA-N 1 1 420.550 3.926 50 0 HHAAMO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000029879851 558723073 /nfs/dbraw/zinc/72/30/73/558723073.db2.gz KQECKMXLGVCAMF-RCCFBDPRSA-N 1 1 404.514 3.524 50 0 HHAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)nc4c3nc3n4CCCCC3)CC2)c1 ZINC000029967694 558725150 /nfs/dbraw/zinc/72/51/50/558725150.db2.gz UBAZFTBNWRXWTL-UHFFFAOYSA-N 1 1 417.557 3.733 50 0 HHAAMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)[C@H](c2ccccc2)C1 ZINC000030030465 558726696 /nfs/dbraw/zinc/72/66/96/558726696.db2.gz LWDBXEUBFOXWDG-QFIPXVFZSA-N 1 1 421.928 3.679 50 0 HHAAMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)[C@H](c2ccccc2)C1 ZINC000030030465 558726698 /nfs/dbraw/zinc/72/66/98/558726698.db2.gz LWDBXEUBFOXWDG-QFIPXVFZSA-N 1 1 421.928 3.679 50 0 HHAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000030634569 558734723 /nfs/dbraw/zinc/73/47/23/558734723.db2.gz HCLRTUCCTDBUTG-UHFFFAOYSA-N 1 1 417.484 3.866 50 0 HHAAMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955656 558747174 /nfs/dbraw/zinc/74/71/74/558747174.db2.gz XJGKHABDLFETTP-UHFFFAOYSA-N 1 1 420.513 3.664 50 0 HHAAMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000030955654 558747222 /nfs/dbraw/zinc/74/72/22/558747222.db2.gz VFYPQMGDNFLOJG-UHFFFAOYSA-N 1 1 420.513 3.664 50 0 HHAAMO CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305222 558757826 /nfs/dbraw/zinc/75/78/26/558757826.db2.gz LTDMZPPJRBOQNR-LJQANCHMSA-N 1 1 421.570 3.794 50 0 HHAAMO CCOc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000000822662 558774237 /nfs/dbraw/zinc/77/42/37/558774237.db2.gz RETNTHCDGFYJTP-UHFFFAOYSA-N 1 1 414.513 3.536 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145854 558797978 /nfs/dbraw/zinc/79/79/78/558797978.db2.gz VAZRBLAKDVLURD-YADHBBJMSA-N 1 1 400.494 3.607 50 0 HHAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000018271143 558835233 /nfs/dbraw/zinc/83/52/33/558835233.db2.gz BPGLPAIFJLXHAK-UHFFFAOYSA-N 1 1 401.919 3.708 50 0 HHAAMO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019144019 558846607 /nfs/dbraw/zinc/84/66/07/558846607.db2.gz WJTQUCSPFNXIQS-QFIPXVFZSA-N 1 1 400.473 3.530 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)CC1 ZINC000054214531 558866677 /nfs/dbraw/zinc/86/66/77/558866677.db2.gz NUENWGVGWHPQHZ-UHFFFAOYSA-N 1 1 403.573 3.718 50 0 HHAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1cnccn1 ZINC000055342827 558879687 /nfs/dbraw/zinc/87/96/87/558879687.db2.gz FADVVURFHVPNCL-UHFFFAOYSA-N 1 1 413.481 3.749 50 0 HHAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1cnccn1 ZINC000055342827 558879688 /nfs/dbraw/zinc/87/96/88/558879688.db2.gz FADVVURFHVPNCL-UHFFFAOYSA-N 1 1 413.481 3.749 50 0 HHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](C2CSCCSC2)C1 ZINC000055369455 558880447 /nfs/dbraw/zinc/88/04/47/558880447.db2.gz ZXYPIVSTGHBANN-NRFANRHFSA-N 1 1 409.617 3.949 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055569005 558882964 /nfs/dbraw/zinc/88/29/64/558882964.db2.gz QHNLWPDXPLZHIK-OAQYLSRUSA-N 1 1 403.523 3.726 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055569005 558882966 /nfs/dbraw/zinc/88/29/66/558882966.db2.gz QHNLWPDXPLZHIK-OAQYLSRUSA-N 1 1 403.523 3.726 50 0 HHAAMO Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000035397998 558893729 /nfs/dbraw/zinc/89/37/29/558893729.db2.gz UYAZVZQXNBLBRO-SFTDATJTSA-N 1 1 421.589 3.659 50 0 HHAAMO O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058065879 558897839 /nfs/dbraw/zinc/89/78/39/558897839.db2.gz WBIAMUNDHGLPRS-WIYYLYMNSA-N 1 1 409.555 3.660 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000058166936 558907134 /nfs/dbraw/zinc/90/71/34/558907134.db2.gz GVLMYCDURYZGEO-PWIZWCRZSA-N 1 1 424.488 3.905 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000058166936 558907136 /nfs/dbraw/zinc/90/71/36/558907136.db2.gz GVLMYCDURYZGEO-PWIZWCRZSA-N 1 1 424.488 3.905 50 0 HHAAMO O=C(Nc1ccc2c(c1)OCCO2)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000058167137 558907288 /nfs/dbraw/zinc/90/72/88/558907288.db2.gz GQPKTIXZQLCVOY-HXUWFJFHSA-N 1 1 406.404 3.851 50 0 HHAAMO OC[C@@]1(O)CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072434396 558979895 /nfs/dbraw/zinc/97/98/95/558979895.db2.gz JJDSZQQAZDKSEI-XMMPIXPASA-N 1 1 408.929 3.973 50 0 HHAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068986 558981379 /nfs/dbraw/zinc/98/13/79/558981379.db2.gz MXWHCAHKCPLFSK-UHFFFAOYSA-N 1 1 417.531 3.502 50 0 HHAAMO C[C@H](c1ccon1)N(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067606025 558988798 /nfs/dbraw/zinc/98/87/98/558988798.db2.gz MYZNRSXCVJHJQI-QGZVFWFLSA-N 1 1 408.502 3.951 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)cc1C ZINC000076837366 558997887 /nfs/dbraw/zinc/99/78/87/558997887.db2.gz CXTRHKLLVOKKDK-QHCPKHFHSA-N 1 1 423.532 3.760 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)cc1C ZINC000076837366 558997889 /nfs/dbraw/zinc/99/78/89/558997889.db2.gz CXTRHKLLVOKKDK-QHCPKHFHSA-N 1 1 423.532 3.760 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)c(C)c1C ZINC000076973266 558998861 /nfs/dbraw/zinc/99/88/61/558998861.db2.gz WNDPZLUVNYFMAG-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)c(C)c1C ZINC000076973266 558998863 /nfs/dbraw/zinc/99/88/63/558998863.db2.gz WNDPZLUVNYFMAG-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)c(C)c1C ZINC000076973266 558998864 /nfs/dbraw/zinc/99/88/64/558998864.db2.gz WNDPZLUVNYFMAG-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)c3ccccc3)CC2)OC1=O)C1CCCCC1 ZINC000077319011 559001056 /nfs/dbraw/zinc/00/10/56/559001056.db2.gz RSUHBWLPZPXCSU-UHFFFAOYSA-N 1 1 413.562 3.768 50 0 HHAAMO CN(CC1CCCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082098561 559037942 /nfs/dbraw/zinc/03/79/42/559037942.db2.gz QZTVEWUAXHQNGO-QHCPKHFHSA-N 1 1 412.622 3.797 50 0 HHAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1Cl ZINC000082230362 559042718 /nfs/dbraw/zinc/04/27/18/559042718.db2.gz BRCNVPCVVXQATN-UHFFFAOYSA-N 1 1 414.941 3.783 50 0 HHAAMO COCCC[N@H+]1CCc2nc(SCc3cccc(Br)c3)[nH]c(=O)c2C1 ZINC000033287227 559043846 /nfs/dbraw/zinc/04/38/46/559043846.db2.gz YDKKPRUOFQFTPJ-UHFFFAOYSA-N 1 1 424.364 3.632 50 0 HHAAMO O=C1C[N@@H+](CCCO)[C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1 ZINC000091434661 559071568 /nfs/dbraw/zinc/07/15/68/559071568.db2.gz CBDRZMMFTLAHSM-QHCPKHFHSA-N 1 1 400.522 3.996 50 0 HHAAMO O=C1C[N@H+](CCCO)[C@@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1 ZINC000091434661 559071570 /nfs/dbraw/zinc/07/15/70/559071570.db2.gz CBDRZMMFTLAHSM-QHCPKHFHSA-N 1 1 400.522 3.996 50 0 HHAAMO O=Cc1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000023295989 559079046 /nfs/dbraw/zinc/07/90/46/559079046.db2.gz ZWHHBGSTQWSJAE-UHFFFAOYSA-N 1 1 414.505 3.812 50 0 HHAAMO CCC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)[nH]n3)cc2)CC1 ZINC000023313240 559115947 /nfs/dbraw/zinc/11/59/47/559115947.db2.gz DHPJGDACCHVTNM-UHFFFAOYSA-N 1 1 404.514 3.920 50 0 HHAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[N@H+](C)[C@@H](CCO)C1 ZINC000106951593 559164068 /nfs/dbraw/zinc/16/40/68/559164068.db2.gz AZIKMJIKWWAHES-FQEVSTJZSA-N 1 1 407.514 3.941 50 0 HHAAMO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(C)CC2)cc1 ZINC000023477130 559176187 /nfs/dbraw/zinc/17/61/87/559176187.db2.gz DAPDQEPBCKGHCC-VWLOTQADSA-N 1 1 417.553 3.556 50 0 HHAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000017724658 560724225 /nfs/dbraw/zinc/72/42/25/560724225.db2.gz ZDNXZGYMXMNADE-NKKJXINNSA-N 1 1 412.530 3.663 50 0 biogenic HHAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000017724658 560724226 /nfs/dbraw/zinc/72/42/26/560724226.db2.gz ZDNXZGYMXMNADE-NKKJXINNSA-N 1 1 412.530 3.663 50 0 biogenic HHAAMO Oc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000017740241 560724406 /nfs/dbraw/zinc/72/44/06/560724406.db2.gz VVZXOWRISPLFAZ-QFIPXVFZSA-N 1 1 404.510 3.621 50 0 HHAAMO COc1cccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000101490597 560795923 /nfs/dbraw/zinc/79/59/23/560795923.db2.gz BZBPIJBDGJCONN-HNAYVOBHSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1cccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000101490597 560795925 /nfs/dbraw/zinc/79/59/25/560795925.db2.gz BZBPIJBDGJCONN-HNAYVOBHSA-N 1 1 421.522 3.816 50 0 HHAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000103887062 560844964 /nfs/dbraw/zinc/84/49/64/560844964.db2.gz LNEDVKXDMWELJG-YKSBVNFPSA-N 1 1 419.569 3.930 50 0 HHAAMO O=C(CCCc1cccs1)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000047374819 560886411 /nfs/dbraw/zinc/88/64/11/560886411.db2.gz BJCRRQSSQJPBFU-UHFFFAOYSA-N 1 1 419.522 3.509 50 0 HHAAMO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012052037 560887902 /nfs/dbraw/zinc/88/79/02/560887902.db2.gz NQPDSDDOQSKYRK-JOCHJYFZSA-N 1 1 404.457 3.833 50 0 HHAAMO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012052037 560887905 /nfs/dbraw/zinc/88/79/05/560887905.db2.gz NQPDSDDOQSKYRK-JOCHJYFZSA-N 1 1 404.457 3.833 50 0 HHAAMO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032336 568424674 /nfs/dbraw/zinc/42/46/74/568424674.db2.gz KXYFFQSMBUNGJU-UHFFFAOYSA-N 1 1 420.538 3.775 50 0 HHAAMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032336 568424675 /nfs/dbraw/zinc/42/46/75/568424675.db2.gz KXYFFQSMBUNGJU-UHFFFAOYSA-N 1 1 420.538 3.775 50 0 HHAAMO NC(=O)c1c(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000048260374 568433569 /nfs/dbraw/zinc/43/35/69/568433569.db2.gz NQGNKQRYGPZNEU-GOSISDBHSA-N 1 1 409.555 3.816 50 0 HHAAMO NC(=O)c1c(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000048260374 568433571 /nfs/dbraw/zinc/43/35/71/568433571.db2.gz NQGNKQRYGPZNEU-GOSISDBHSA-N 1 1 409.555 3.816 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000048373993 568442318 /nfs/dbraw/zinc/44/23/18/568442318.db2.gz RVCSGXJZYCBWOW-RMYSCLOFSA-N 1 1 412.599 3.973 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000048884832 568443521 /nfs/dbraw/zinc/44/35/21/568443521.db2.gz NUNLNNDPBACVJA-HDICACEKSA-N 1 1 413.587 3.662 50 0 HHAAMO Clc1ccc(-c2cc(-c3ccncc3)nc(NCCC[NH+]3CCOCC3)n2)cc1 ZINC000214081806 568457049 /nfs/dbraw/zinc/45/70/49/568457049.db2.gz GQXFBVJGVQFJPW-UHFFFAOYSA-N 1 1 409.921 3.993 50 0 HHAAMO CCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000012296822 568462617 /nfs/dbraw/zinc/46/26/17/568462617.db2.gz RDDWUKSCTJQPRL-GHTZIAJQSA-N 1 1 412.530 3.505 50 0 biogenic HHAAMO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(Cl)cc12 ZINC000012296532 568462655 /nfs/dbraw/zinc/46/26/55/568462655.db2.gz KBNRRYTZJGLIKS-MAUKXSAKSA-N 1 1 418.921 3.514 50 0 biogenic HHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000024829515 568470524 /nfs/dbraw/zinc/47/05/24/568470524.db2.gz CQXOXJPRYAEVPV-UHFFFAOYSA-N 1 1 415.541 3.506 50 0 HHAAMO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)N3CC[NH+](C)CC3)c(C)c12 ZINC000020437113 568607225 /nfs/dbraw/zinc/60/72/25/568607225.db2.gz CFJGPJFPIHNNQP-UHFFFAOYSA-N 1 1 419.573 3.669 50 0 HHAAMO C[N@@H+]1CC=C(c2noc(CCC(=O)Nc3cc(-c4cccc(Cl)c4)no3)n2)CC1 ZINC000020901797 568650123 /nfs/dbraw/zinc/65/01/23/568650123.db2.gz HSEMCIBTNRKCRC-UHFFFAOYSA-N 1 1 413.865 3.668 50 0 HHAAMO C[N@@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)C1CCCCC1 ZINC000020925773 568651314 /nfs/dbraw/zinc/65/13/14/568651314.db2.gz LXAKHQYOPSATAQ-UHFFFAOYSA-N 1 1 403.498 3.768 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@@H](C)O1 ZINC000029473893 568658469 /nfs/dbraw/zinc/65/84/69/568658469.db2.gz CNHMQBYECYILFS-HUUCEWRRSA-N 1 1 416.905 3.973 50 0 HHAAMO Cc1ccc(-c2nc(C(=O)NC[C@H](C)[NH+]3CCN(c4ccccc4)CC3)cs2)o1 ZINC000095949295 568666006 /nfs/dbraw/zinc/66/60/06/568666006.db2.gz IWUNDIGKEYBZCG-INIZCTEOSA-N 1 1 410.543 3.652 50 0 HHAAMO COCCn1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2cc(Cl)ccc21 ZINC000096125627 568701463 /nfs/dbraw/zinc/70/14/63/568701463.db2.gz BXWNTNUOICLLTI-OXQOHEQNSA-N 1 1 403.954 3.935 50 0 biogenic HHAAMO O=c1cc(C[NH+]2CCN(c3ccccn3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000012409078 568712249 /nfs/dbraw/zinc/71/22/49/568712249.db2.gz GLVHUTSBFYLJNX-UHFFFAOYSA-N 1 1 413.477 3.883 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000096316702 568725649 /nfs/dbraw/zinc/72/56/49/568725649.db2.gz UOLGGGIFKYDNIY-MAUKXSAKSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000096316702 568725652 /nfs/dbraw/zinc/72/56/52/568725652.db2.gz UOLGGGIFKYDNIY-MAUKXSAKSA-N 1 1 421.522 3.816 50 0 HHAAMO COCCn1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc2cc(Cl)ccc21 ZINC000096343583 568737155 /nfs/dbraw/zinc/73/71/55/568737155.db2.gz IRHKNBAMMUEENP-VQIMIIECSA-N 1 1 403.954 3.935 50 0 HHAAMO Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795161 568753813 /nfs/dbraw/zinc/75/38/13/568753813.db2.gz YSBDEUMGNHKYCM-UHFFFAOYSA-N 1 1 408.550 3.746 50 0 HHAAMO Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4sccc4C3)CC2)cc1Cl ZINC000225690041 568779090 /nfs/dbraw/zinc/77/90/90/568779090.db2.gz ZCMZBIZKANEZJE-UHFFFAOYSA-N 1 1 410.992 3.921 50 0 HHAAMO CCN(C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1C ZINC000029118950 568820669 /nfs/dbraw/zinc/82/06/69/568820669.db2.gz KNMNZJFBASSBJI-UHFFFAOYSA-N 1 1 420.479 3.974 50 0 HHAAMO CCN(C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1C ZINC000029118950 568820671 /nfs/dbraw/zinc/82/06/71/568820671.db2.gz KNMNZJFBASSBJI-UHFFFAOYSA-N 1 1 420.479 3.974 50 0 HHAAMO CNC(=O)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000057363685 568829011 /nfs/dbraw/zinc/82/90/11/568829011.db2.gz QYKXUNRPZCQKKX-IBGZPJMESA-N 1 1 408.527 3.673 50 0 HHAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2sccc2C(N)=O)c2cccc(F)c2)cc1 ZINC000057415068 568833504 /nfs/dbraw/zinc/83/35/04/568833504.db2.gz HWMPNQVEVKFXDM-FQEVSTJZSA-N 1 1 411.502 3.866 50 0 HHAAMO Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)Nc2ccc(F)cc2)c2cccs2)cc1 ZINC000057471030 568839078 /nfs/dbraw/zinc/83/90/78/568839078.db2.gz ILKURFIBOGZCLP-QFIPXVFZSA-N 1 1 411.502 3.630 50 0 HHAAMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052996 568872415 /nfs/dbraw/zinc/87/24/15/568872415.db2.gz MTDASFVQYTWGOX-YPMHNXCESA-N 1 1 407.146 3.683 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC2(CC1)OCCO2 ZINC000058139769 568890700 /nfs/dbraw/zinc/89/07/00/568890700.db2.gz NYUVIKJSBAJWMO-QGZVFWFLSA-N 1 1 413.543 3.540 50 0 HHAAMO COc1cc(Br)c(C[NH2+]Cc2ccc(N3CCCC3)nc2)cc1OC ZINC000030900223 568901310 /nfs/dbraw/zinc/90/13/10/568901310.db2.gz PMVBJYVZDWMDEQ-UHFFFAOYSA-N 1 1 406.324 3.751 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012700694 568917187 /nfs/dbraw/zinc/91/71/87/568917187.db2.gz UQYUBPMJNPQWOK-UONOGXRCSA-N 1 1 421.526 3.673 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012700694 568917189 /nfs/dbraw/zinc/91/71/89/568917189.db2.gz UQYUBPMJNPQWOK-UONOGXRCSA-N 1 1 421.526 3.673 50 0 HHAAMO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000015524147 568945173 /nfs/dbraw/zinc/94/51/73/568945173.db2.gz JTOAFOKCRDBOHH-HNNXBMFYSA-N 1 1 424.442 3.629 50 0 HHAAMO C[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000015524147 568945175 /nfs/dbraw/zinc/94/51/75/568945175.db2.gz JTOAFOKCRDBOHH-HNNXBMFYSA-N 1 1 424.442 3.629 50 0 HHAAMO Cn1cc(CCC(=O)OC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000084318340 568945929 /nfs/dbraw/zinc/94/59/29/568945929.db2.gz VBXGEFKAIZDEBB-YLJYHZDGSA-N 1 1 409.452 3.998 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2C1 ZINC000012772234 568952418 /nfs/dbraw/zinc/95/24/18/568952418.db2.gz LHJYLDWTFBGVSQ-UHFFFAOYSA-N 1 1 406.349 3.954 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2C1 ZINC000012772234 568952419 /nfs/dbraw/zinc/95/24/19/568952419.db2.gz LHJYLDWTFBGVSQ-UHFFFAOYSA-N 1 1 406.349 3.954 50 0 HHAAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000012775992 568954607 /nfs/dbraw/zinc/95/46/07/568954607.db2.gz BXSQKLGFPQDNGL-GOSISDBHSA-N 1 1 410.543 3.712 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCC(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012789054 568960841 /nfs/dbraw/zinc/96/08/41/568960841.db2.gz HOUOKHRMARDJFB-JOCHJYFZSA-N 1 1 423.513 3.639 50 0 HHAAMO COc1cc(NC(=O)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc(OC)c1OC ZINC000066327985 568966112 /nfs/dbraw/zinc/96/61/12/568966112.db2.gz DIUDDLLMDDSOBN-UHFFFAOYSA-N 1 1 424.501 3.543 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)CNC(=O)Cc1cccc2ccccc21)c1ccccc1Cl ZINC000008262327 568985673 /nfs/dbraw/zinc/98/56/73/568985673.db2.gz KBPXTHRCUIPXBZ-JOCHJYFZSA-N 1 1 423.944 3.571 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccc(Cl)cc1 ZINC000008310291 568988448 /nfs/dbraw/zinc/98/84/48/568988448.db2.gz KQBJTRXNBZLWCE-IBGZPJMESA-N 1 1 400.906 3.955 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccc(Cl)cc1 ZINC000008310291 568988451 /nfs/dbraw/zinc/98/84/51/568988451.db2.gz KQBJTRXNBZLWCE-IBGZPJMESA-N 1 1 400.906 3.955 50 0 HHAAMO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107882 568992048 /nfs/dbraw/zinc/99/20/48/568992048.db2.gz AHIUEMBECMBWDH-FXAWDEMLSA-N 1 1 411.550 3.685 50 0 biogenic HHAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000015779699 569001903 /nfs/dbraw/zinc/00/19/03/569001903.db2.gz IOTGEULPHWXTBG-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000015779699 569001905 /nfs/dbraw/zinc/00/19/05/569001905.db2.gz IOTGEULPHWXTBG-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO Cc1oc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1CN1CCc2ccccc21 ZINC000015785938 569006777 /nfs/dbraw/zinc/00/67/77/569006777.db2.gz NSTXONATCQZEGE-UHFFFAOYSA-N 1 1 416.525 3.600 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104469179 569008925 /nfs/dbraw/zinc/00/89/25/569008925.db2.gz BWTYEMKWFDGXCF-HXUWFJFHSA-N 1 1 404.501 3.659 50 0 HHAAMO CCc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCC(C(N)=O)CC2)cc1 ZINC000101552001 569014151 /nfs/dbraw/zinc/01/41/51/569014151.db2.gz WJVQZJCMFMLWPR-UHFFFAOYSA-N 1 1 417.509 3.739 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)Cc1ccc(C)cc1C ZINC000012910113 569021421 /nfs/dbraw/zinc/02/14/21/569021421.db2.gz REJOJUWOESBEJS-UHFFFAOYSA-N 1 1 404.558 3.913 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+](C)Cc1ccc(C)cc1C ZINC000012910113 569021422 /nfs/dbraw/zinc/02/14/22/569021422.db2.gz REJOJUWOESBEJS-UHFFFAOYSA-N 1 1 404.558 3.913 50 0 HHAAMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccc(F)cc2F)c2cccs2)CC1 ZINC000012936958 569027331 /nfs/dbraw/zinc/02/73/31/569027331.db2.gz PTQHAJMOLGPCEP-MRXNPFEDSA-N 1 1 400.516 3.778 50 0 HHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc(COc2ccc(F)cc2)n1 ZINC000012937574 569027884 /nfs/dbraw/zinc/02/78/84/569027884.db2.gz PETCDSBETLRQJM-GOSISDBHSA-N 1 1 411.502 3.866 50 0 HHAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035360208 569033646 /nfs/dbraw/zinc/03/36/46/569033646.db2.gz AGLNKEZIHIEECV-VSDWSMLSSA-N 1 1 407.558 3.994 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397958 569034942 /nfs/dbraw/zinc/03/49/42/569034942.db2.gz LTNFSNGXIZXJMD-IFMALSPDSA-N 1 1 421.589 3.741 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000229634238 569040584 /nfs/dbraw/zinc/04/05/84/569040584.db2.gz GVLMYCDURYZGEO-NSISKUIASA-N 1 1 424.488 3.905 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000229634238 569040585 /nfs/dbraw/zinc/04/05/85/569040585.db2.gz GVLMYCDURYZGEO-NSISKUIASA-N 1 1 424.488 3.905 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000229906941 569040666 /nfs/dbraw/zinc/04/06/66/569040666.db2.gz HFSUCFZKYLYZFV-ZOCIIQOWSA-N 1 1 402.926 3.850 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000229906941 569040667 /nfs/dbraw/zinc/04/06/67/569040667.db2.gz HFSUCFZKYLYZFV-ZOCIIQOWSA-N 1 1 402.926 3.850 50 0 HHAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2ccccc2OC)CC1 ZINC000035579728 569046133 /nfs/dbraw/zinc/04/61/33/569046133.db2.gz GIZCHQMYAMGFQW-OAQYLSRUSA-N 1 1 405.542 3.873 50 0 HHAAMO Cc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422297 569048220 /nfs/dbraw/zinc/04/82/20/569048220.db2.gz AZAKOQMSJUDLEG-KRWDZBQOSA-N 1 1 420.479 3.798 50 0 HHAAMO Cc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422297 569048221 /nfs/dbraw/zinc/04/82/21/569048221.db2.gz AZAKOQMSJUDLEG-KRWDZBQOSA-N 1 1 420.479 3.798 50 0 HHAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000089442074 569060588 /nfs/dbraw/zinc/06/05/88/569060588.db2.gz SZOVQDGOXZVSNA-GOSISDBHSA-N 1 1 404.894 3.558 50 0 HHAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000089442074 569060589 /nfs/dbraw/zinc/06/05/89/569060589.db2.gz SZOVQDGOXZVSNA-GOSISDBHSA-N 1 1 404.894 3.558 50 0 HHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000064450171 569062738 /nfs/dbraw/zinc/06/27/38/569062738.db2.gz GAKNBZORQSGLBB-UHFFFAOYSA-N 1 1 409.440 3.769 50 0 HHAAMO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000006587276 569067850 /nfs/dbraw/zinc/06/78/50/569067850.db2.gz PECHKUYZLVKIFG-INIZCTEOSA-N 1 1 406.357 3.816 50 0 HHAAMO CC1(C)CC(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C(=O)C1 ZINC000035999471 569074897 /nfs/dbraw/zinc/07/48/97/569074897.db2.gz PARVMIRRIFXZSE-QFIPXVFZSA-N 1 1 402.538 3.878 50 0 HHAAMO CC1(C)CC(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C(=O)C1 ZINC000035999471 569074898 /nfs/dbraw/zinc/07/48/98/569074898.db2.gz PARVMIRRIFXZSE-QFIPXVFZSA-N 1 1 402.538 3.878 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102568 569092050 /nfs/dbraw/zinc/09/20/50/569092050.db2.gz DXMYDAUEDJCUMW-HXUWFJFHSA-N 1 1 413.445 3.727 50 0 HHAAMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2cccc(F)c2)C[C@H](O)COC(C)C)C1 ZINC000036145802 569098362 /nfs/dbraw/zinc/09/83/62/569098362.db2.gz XNJBVESUFGJTCK-VXKWHMMOSA-N 1 1 414.521 3.915 50 0 HHAAMO CCOC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145984 569098671 /nfs/dbraw/zinc/09/86/71/569098671.db2.gz BWSRPTIUOMMWHH-UXHICEINSA-N 1 1 420.912 3.872 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145984 569098672 /nfs/dbraw/zinc/09/86/72/569098672.db2.gz BWSRPTIUOMMWHH-UXHICEINSA-N 1 1 420.912 3.872 50 0 HHAAMO COc1ccc(-c2noc(-c3ccc(NCCC[N@H+]4CCC[C@@H](C)C4)nn3)n2)cc1 ZINC000064838064 569106215 /nfs/dbraw/zinc/10/62/15/569106215.db2.gz GPCZYWJOZXUNOZ-MRXNPFEDSA-N 1 1 408.506 3.736 50 0 HHAAMO CCN(CC)CC[NH2+]CC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 ZINC000019371742 569124667 /nfs/dbraw/zinc/12/46/67/569124667.db2.gz JOLDWQJWIIWEJF-UHFFFAOYSA-N 1 1 424.545 3.560 50 0 HHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806354 569130956 /nfs/dbraw/zinc/13/09/56/569130956.db2.gz QQYAPAGVUIPKKM-CALCHBBNSA-N 1 1 416.591 3.516 50 0 HHAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343822 569142378 /nfs/dbraw/zinc/14/23/78/569142378.db2.gz YCOSLSRXHDAMPH-JOCHJYFZSA-N 1 1 410.949 3.574 50 0 HHAAMO Cc1ccc(Oc2nccnc2SCC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000065111032 569178867 /nfs/dbraw/zinc/17/88/67/569178867.db2.gz XSIRUYZQJGHBAQ-QGZVFWFLSA-N 1 1 400.548 3.660 50 0 HHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000006927539 569183614 /nfs/dbraw/zinc/18/36/14/569183614.db2.gz VGGOQMDLCUWUBS-VEXUSMLFSA-N 1 1 408.498 3.722 50 0 biogenic HHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000006927539 569183615 /nfs/dbraw/zinc/18/36/15/569183615.db2.gz VGGOQMDLCUWUBS-VEXUSMLFSA-N 1 1 408.498 3.722 50 0 biogenic HHAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)CC1 ZINC000007001812 569198762 /nfs/dbraw/zinc/19/87/62/569198762.db2.gz QYPLVXXJWIBWFB-UHFFFAOYSA-N 1 1 421.497 3.862 50 0 HHAAMO C[NH+](C)[C@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000065575939 569235997 /nfs/dbraw/zinc/23/59/97/569235997.db2.gz OZHGIVOZDBUQDH-JXFKEZNVSA-N 1 1 416.363 3.695 50 0 HHAAMO O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000170610648 569245291 /nfs/dbraw/zinc/24/52/91/569245291.db2.gz QZBGWHXOWHIDJF-YADHBBJMSA-N 1 1 423.582 3.802 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000252467349 569287137 /nfs/dbraw/zinc/28/71/37/569287137.db2.gz FJNSNQCJKHTLOS-DHIUTWEWSA-N 1 1 406.574 3.724 50 0 HHAAMO COc1cc(-c2noc(C[N@@H+](C(C)C)[C@H]3CCCC[C@H]3O)n2)ccc1OC(F)F ZINC000252477335 569288300 /nfs/dbraw/zinc/28/83/00/569288300.db2.gz MFWWLKNNZOSBRR-LSDHHAIUSA-N 1 1 411.449 3.861 50 0 HHAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000007718926 569301874 /nfs/dbraw/zinc/30/18/74/569301874.db2.gz MBMSYZHDLOGJOX-JOCHJYFZSA-N 1 1 407.514 3.681 50 0 HHAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000007718926 569301876 /nfs/dbraw/zinc/30/18/76/569301876.db2.gz MBMSYZHDLOGJOX-JOCHJYFZSA-N 1 1 407.514 3.681 50 0 HHAAMO O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007792065 569310945 /nfs/dbraw/zinc/31/09/45/569310945.db2.gz ABBGAKFHMWXDHA-QHCPKHFHSA-N 1 1 414.505 3.687 50 0 HHAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3ccc(C(=O)N(C)C)cc3)ccc2c1 ZINC000007926788 569327240 /nfs/dbraw/zinc/32/72/40/569327240.db2.gz FNGUXTRUMBUPBC-UHFFFAOYSA-N 1 1 405.498 3.621 50 0 HHAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3ccc(C(=O)N(C)C)cc3)ccc2c1 ZINC000007926788 569327241 /nfs/dbraw/zinc/32/72/41/569327241.db2.gz FNGUXTRUMBUPBC-UHFFFAOYSA-N 1 1 405.498 3.621 50 0 HHAAMO COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000253426535 569368293 /nfs/dbraw/zinc/36/82/93/569368293.db2.gz HIEVBUFBZFNTCN-UEXGIBASSA-N 1 1 406.542 3.616 50 0 HHAAMO COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000253426535 569368294 /nfs/dbraw/zinc/36/82/94/569368294.db2.gz HIEVBUFBZFNTCN-UEXGIBASSA-N 1 1 406.542 3.616 50 0 HHAAMO NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](Cc1ccccc1)C3 ZINC000002315415 569373108 /nfs/dbraw/zinc/37/31/08/569373108.db2.gz HQMCIFZYDJVKRK-UHFFFAOYSA-N 1 1 409.559 3.807 50 0 HHAAMO NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](Cc1ccccc1)C3 ZINC000002315415 569373109 /nfs/dbraw/zinc/37/31/09/569373109.db2.gz HQMCIFZYDJVKRK-UHFFFAOYSA-N 1 1 409.559 3.807 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)CC1 ZINC000055080829 569386334 /nfs/dbraw/zinc/38/63/34/569386334.db2.gz JHQHTNYANJVNMX-UHFFFAOYSA-N 1 1 405.498 3.697 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)CC1 ZINC000055082813 569386601 /nfs/dbraw/zinc/38/66/01/569386601.db2.gz CJHDYJYDFDUNJE-UHFFFAOYSA-N 1 1 405.498 3.697 50 0 HHAAMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000078969705 569422444 /nfs/dbraw/zinc/42/24/44/569422444.db2.gz JXZWVEUXGSBXNL-UYAOXDASSA-N 1 1 411.594 3.770 50 0 HHAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Cl)nc2SC)CC1 ZINC000079054615 569425808 /nfs/dbraw/zinc/42/58/08/569425808.db2.gz TYWNJSPCKHJKOL-UHFFFAOYSA-N 1 1 418.994 3.524 50 0 HHAAMO CC(=O)c1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000079108149 569427858 /nfs/dbraw/zinc/42/78/58/569427858.db2.gz IIMDDSCFMMJJIL-UHFFFAOYSA-N 1 1 420.962 3.829 50 0 HHAAMO COCCn1cc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000079475674 569431462 /nfs/dbraw/zinc/43/14/62/569431462.db2.gz OSKNQOHRIOPEMR-UHFFFAOYSA-N 1 1 405.542 3.565 50 0 HHAAMO c1ccc2[nH]c(-c3ccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nc3)nc2c1 ZINC000008710070 571104797 /nfs/dbraw/zinc/10/47/97/571104797.db2.gz YUZPRRAFAZNWDU-UHFFFAOYSA-N 1 1 413.481 3.676 50 0 HHAAMO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000040070937 571151406 /nfs/dbraw/zinc/15/14/06/571151406.db2.gz DXLUSBOIMBGNPA-DEOSSOPVSA-N 1 1 417.553 3.904 50 0 HHAAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)c2ncccc12)c1ccsc1 ZINC000040091358 571161255 /nfs/dbraw/zinc/16/12/55/571161255.db2.gz GXIANPOUGDWVCN-GOSISDBHSA-N 1 1 403.573 3.966 50 0 HHAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000040121268 571177245 /nfs/dbraw/zinc/17/72/45/571177245.db2.gz GVFJKWVZCYIVRE-LSDHHAIUSA-N 1 1 402.564 3.829 50 0 HHAAMO Cc1c(C(=O)N[C@H](C)CC[NH+]2CCN(c3cccc(C)c3)CC2)oc2c1C(=O)CCC2 ZINC000040134123 571187041 /nfs/dbraw/zinc/18/70/41/571187041.db2.gz XXLKLFWVKSMPDL-GOSISDBHSA-N 1 1 423.557 3.746 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000245343319 571226122 /nfs/dbraw/zinc/22/61/22/571226122.db2.gz LTNFSNGXIZXJMD-IRLDBZIGSA-N 1 1 421.589 3.741 50 0 HHAAMO C=C1C(NCCC[N@@H+](CC)Cc2ccccc2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009268477 571244197 /nfs/dbraw/zinc/24/41/97/571244197.db2.gz JUUOSGNTFIVXKZ-UHFFFAOYSA-N 1 1 415.534 3.800 50 0 HHAAMO C=C1C(NCCC[N@H+](CC)Cc2ccccc2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009268477 571244199 /nfs/dbraw/zinc/24/41/99/571244199.db2.gz JUUOSGNTFIVXKZ-UHFFFAOYSA-N 1 1 415.534 3.800 50 0 HHAAMO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccc2)C3)c1C ZINC000069848258 571246985 /nfs/dbraw/zinc/24/69/85/571246985.db2.gz KEIISDYZZYOWGU-QGZVFWFLSA-N 1 1 403.530 3.662 50 0 HHAAMO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009504072 571263522 /nfs/dbraw/zinc/26/35/22/571263522.db2.gz RNHIBZHVTORAAO-UHFFFAOYSA-N 1 1 411.527 3.715 50 0 HHAAMO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000009504072 571263523 /nfs/dbraw/zinc/26/35/23/571263523.db2.gz RNHIBZHVTORAAO-UHFFFAOYSA-N 1 1 411.527 3.715 50 0 HHAAMO Cn1nc(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)n(-c2ccccc2)c1=O ZINC000077100632 571311397 /nfs/dbraw/zinc/31/13/97/571311397.db2.gz FXBYUWWMJXVGCU-UHFFFAOYSA-N 1 1 400.885 3.743 50 0 HHAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000011784282 962190312 /nfs/dbraw/zinc/19/03/12/962190312.db2.gz AMRHSHCXFPAKSN-OAQYLSRUSA-N 1 1 421.545 3.820 50 0 HHAAMO CCOc1ccccc1[C@@H]1C[C@H]2CN(C3Cc4ccccc4C3)C(=O)[C@]23CCC[N@@H+]13 ZINC000011840222 962201001 /nfs/dbraw/zinc/20/10/01/962201001.db2.gz LZDFCHCHBJIWBD-CHZKFRDHSA-N 1 1 402.538 3.991 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1)c1[nH]nc2ccccc21 ZINC000011936222 962210885 /nfs/dbraw/zinc/21/08/85/962210885.db2.gz YHEORAJPLVHXGC-HNNXBMFYSA-N 1 1 409.559 3.540 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)c1[nH]nc2ccccc21 ZINC000011936222 962210900 /nfs/dbraw/zinc/21/09/00/962210900.db2.gz YHEORAJPLVHXGC-HNNXBMFYSA-N 1 1 409.559 3.540 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O ZINC000012092953 962236777 /nfs/dbraw/zinc/23/67/77/962236777.db2.gz VNQPVTCILDKDOB-QFIPXVFZSA-N 1 1 405.922 3.880 50 0 HHAAMO C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000012279893 962266937 /nfs/dbraw/zinc/26/69/37/962266937.db2.gz ZQFCDCWRERNOSK-UHFFFAOYSA-N 1 1 401.919 3.652 50 0 HHAAMO C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000012279893 962266950 /nfs/dbraw/zinc/26/69/50/962266950.db2.gz ZQFCDCWRERNOSK-UHFFFAOYSA-N 1 1 401.919 3.652 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)cc2)c1 ZINC000012432423 962279831 /nfs/dbraw/zinc/27/98/31/962279831.db2.gz URCXIXFRWQEYRK-NRFANRHFSA-N 1 1 404.514 3.946 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012710792 962316204 /nfs/dbraw/zinc/31/62/04/962316204.db2.gz VYIOPDGVDRTGAK-VWLOTQADSA-N 1 1 408.590 3.527 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CN(Cc2cc(F)cc(F)c2)CCO3)C[C@H](C)O1 ZINC000014878956 962597027 /nfs/dbraw/zinc/59/70/27/962597027.db2.gz JUJFDTSTTAOIEB-CALCHBBNSA-N 1 1 402.485 3.969 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CN(Cc2cc(F)cc(F)c2)CCO3)C[C@H](C)O1 ZINC000014878956 962597031 /nfs/dbraw/zinc/59/70/31/962597031.db2.gz JUJFDTSTTAOIEB-CALCHBBNSA-N 1 1 402.485 3.969 50 0 HHAAMO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000014963146 962614549 /nfs/dbraw/zinc/61/45/49/962614549.db2.gz VISQSUONZIIZHG-NRFANRHFSA-N 1 1 413.606 3.774 50 0 HHAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000014967073 962614623 /nfs/dbraw/zinc/61/46/23/962614623.db2.gz GDDWATKVBRSLTD-JOCHJYFZSA-N 1 1 411.594 3.758 50 0 HHAAMO Cc1cc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)[nH]n1 ZINC000015064301 962645808 /nfs/dbraw/zinc/64/58/08/962645808.db2.gz CNFINKXJSQCEGT-UHFFFAOYSA-N 1 1 404.514 3.692 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)c1OC ZINC000015072450 962648183 /nfs/dbraw/zinc/64/81/83/962648183.db2.gz DNBQEDOZVFGLND-NQIIRXRSSA-N 1 1 412.505 3.970 50 0 HHAAMO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)CC1(N2CCOCC2)CCCCC1 ZINC000020323762 963387162 /nfs/dbraw/zinc/38/71/62/963387162.db2.gz XMVIQKDWRGOQKN-UHFFFAOYSA-N 1 1 404.942 3.857 50 0 HHAAMO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)CC1(N2CCOCC2)CCCCC1 ZINC000020323762 963387171 /nfs/dbraw/zinc/38/71/71/963387171.db2.gz XMVIQKDWRGOQKN-UHFFFAOYSA-N 1 1 404.942 3.857 50 0 HHAAMO CCOc1ccc2nc(N3CCC([N@@H+]4CC[C@@H](N(CC)CC)C4)CC3)nc(C)c2c1 ZINC000020998963 963410501 /nfs/dbraw/zinc/41/05/01/963410501.db2.gz RIATUHRRKOIFDC-HXUWFJFHSA-N 1 1 411.594 3.722 50 0 HHAAMO CCOc1ccc2nc(N3CCC([N@H+]4CC[C@@H](N(CC)CC)C4)CC3)nc(C)c2c1 ZINC000020998963 963410511 /nfs/dbraw/zinc/41/05/11/963410511.db2.gz RIATUHRRKOIFDC-HXUWFJFHSA-N 1 1 411.594 3.722 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC000023244464 963788408 /nfs/dbraw/zinc/78/84/08/963788408.db2.gz RFGDXNRTDOMGPC-BLGFXRMMSA-N 1 1 416.905 3.552 50 0 HHAAMO COc1cc(NC(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)ccc1C ZINC000055555039 965913434 /nfs/dbraw/zinc/91/34/34/965913434.db2.gz LSYYZRIAKZKIKA-UHFFFAOYSA-N 1 1 402.926 3.601 50 0 HHAAMO COc1ccc(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000067692312 968784062 /nfs/dbraw/zinc/78/40/62/968784062.db2.gz RSBHPXHPAUZXDZ-VWLOTQADSA-N 1 1 416.569 3.963 50 0 HHAAMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000067692312 968784068 /nfs/dbraw/zinc/78/40/68/968784068.db2.gz RSBHPXHPAUZXDZ-VWLOTQADSA-N 1 1 416.569 3.963 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000067692312 968784080 /nfs/dbraw/zinc/78/40/80/968784080.db2.gz RSBHPXHPAUZXDZ-VWLOTQADSA-N 1 1 416.569 3.963 50 0 HHAAMO COc1ccc(Br)cc1/C=C\C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000098001761 969183835 /nfs/dbraw/zinc/18/38/35/969183835.db2.gz NHXAWUJWNSRJRI-POGDKVGISA-N 1 1 415.331 3.986 50 0 HHAAMO COc1ccc(Br)cc1/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000098001761 969183843 /nfs/dbraw/zinc/18/38/43/969183843.db2.gz NHXAWUJWNSRJRI-POGDKVGISA-N 1 1 415.331 3.986 50 0 HHAAMO O=C(c1ccccc1OC[C@H]1CCC[N@H+](C2CCCCCC2)C1)N1CCOCC1 ZINC000169765103 970472953 /nfs/dbraw/zinc/47/29/53/970472953.db2.gz CMTKCXMBSJLLKL-FQEVSTJZSA-N 1 1 400.563 3.973 50 0 HHAAMO Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CCO3)n(C)n1 ZINC000169776636 970478479 /nfs/dbraw/zinc/47/84/79/970478479.db2.gz WKIGORJNDJTPEB-QFIPXVFZSA-N 1 1 422.573 3.547 50 0 HHAAMO Cc1nnc([C@@H]2C[N@H+](C)CC23CCN(C(=O)Nc2ccc(C)cc2Cl)CC3)o1 ZINC000257175024 970616065 /nfs/dbraw/zinc/61/60/65/970616065.db2.gz NBYMNOLZUFKDAB-HNNXBMFYSA-N 1 1 403.914 3.683 50 0 HHAAMO Fc1ccc(CN2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCOCC4)CC2)c(F)c1 ZINC000257186203 970621201 /nfs/dbraw/zinc/62/12/01/970621201.db2.gz YPVARFXAAJDMJL-JOCHJYFZSA-N 1 1 406.517 3.589 50 0 HHAAMO COc1cc2c(cc1OC)CN(C(=O)CC[N@@H+]1Cc3cc(C)ccc3O[C@@H](C)C1)CC2 ZINC000299774756 970723550 /nfs/dbraw/zinc/72/35/50/970723550.db2.gz IDXQIOWLJWLYHW-SFHVURJKSA-N 1 1 424.541 3.570 50 0 HHAAMO COc1cc2c(cc1OC)CN(C(=O)CC[N@@H+]1Cc3cc(C)ccc3O[C@H](C)C1)CC2 ZINC000299774751 970723601 /nfs/dbraw/zinc/72/36/01/970723601.db2.gz IDXQIOWLJWLYHW-GOSISDBHSA-N 1 1 424.541 3.570 50 0 HHAAMO O=C(c1ccccn1)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169748763 1072019379 /nfs/dbraw/zinc/01/93/79/1072019379.db2.gz BGDOAFUTRSDFKH-JOCHJYFZSA-N 1 1 405.542 3.900 50 0 HHAAMO CC[N@@H+](CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21)Cc1ccccc1 ZINC000006798322 132317217 /nfs/dbraw/zinc/31/72/17/132317217.db2.gz NSXNMKUVSIUFLU-FQEVSTJZSA-N 1 1 423.557 3.609 50 0 HHAAMO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc2c1C ZINC000006902292 132320318 /nfs/dbraw/zinc/32/03/18/132320318.db2.gz YTJXKTWBFWOABP-UHFFFAOYSA-N 1 1 408.521 3.866 50 0 HHAAMO CC(C)c1cccc(C(C)C)c1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000032870772 519840998 /nfs/dbraw/zinc/84/09/98/519840998.db2.gz BIYPSIHBFAGWQS-NRFANRHFSA-N 1 1 415.578 3.585 50 0 HHAAMO CCn1nnc2cc(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)ccc21 ZINC000032757147 523760836 /nfs/dbraw/zinc/76/08/36/523760836.db2.gz TXASAQJAURFZMS-UHFFFAOYSA-N 1 1 405.527 3.624 50 0 HHAAMO Cc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000032902358 525607385 /nfs/dbraw/zinc/60/73/85/525607385.db2.gz VDXQCBCZCODARM-UHFFFAOYSA-N 1 1 416.953 3.599 50 0 HHAAMO O=C(N[C@H]1CCc2ccccc21)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930144 527071451 /nfs/dbraw/zinc/07/14/51/527071451.db2.gz SGGCOOFPNRHGGP-NRFANRHFSA-N 1 1 402.498 3.752 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(COCC(F)(F)F)cc1 ZINC000032195220 527572029 /nfs/dbraw/zinc/57/20/29/527572029.db2.gz UTEYNTVVYAWRPH-UHFFFAOYSA-N 1 1 414.468 3.530 50 0 HHAAMO O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000032355281 527618320 /nfs/dbraw/zinc/61/83/20/527618320.db2.gz IYJZXWPNBSXZCL-JLHYYAGUSA-N 1 1 413.521 3.848 50 0 HHAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)C1CC1 ZINC000034667866 557361428 /nfs/dbraw/zinc/36/14/28/557361428.db2.gz RFWYOVQYFYCSFD-UHFFFAOYSA-N 1 1 404.436 3.771 50 0 HHAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4cccs4)CC3)n2)cc1C ZINC000034678173 557366207 /nfs/dbraw/zinc/36/62/07/557366207.db2.gz XZSPXJNWNAOBOZ-UHFFFAOYSA-N 1 1 410.543 3.923 50 0 HHAAMO Cc1ccc(N2CCN(Cc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000034682360 557384023 /nfs/dbraw/zinc/38/40/23/557384023.db2.gz QRXHRHMTDSEGJM-UHFFFAOYSA-N 1 1 420.601 3.533 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855667 557476993 /nfs/dbraw/zinc/47/69/93/557476993.db2.gz RJHHMXMJEFZMJE-FQEVSTJZSA-N 1 1 411.546 3.901 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855667 557476994 /nfs/dbraw/zinc/47/69/94/557476994.db2.gz RJHHMXMJEFZMJE-FQEVSTJZSA-N 1 1 411.546 3.901 50 0 HHAAMO COc1ccc(CC[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000004725259 557587250 /nfs/dbraw/zinc/58/72/50/557587250.db2.gz LDRMSOXBPHZHFR-UHFFFAOYSA-N 1 1 421.335 3.969 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000005715005 557669982 /nfs/dbraw/zinc/66/99/82/557669982.db2.gz JPTRSILQIARTDQ-AWEZNQCLSA-N 1 1 413.356 3.547 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000009906818 557851092 /nfs/dbraw/zinc/85/10/92/557851092.db2.gz QFKJHSISMKRCFR-IBGZPJMESA-N 1 1 423.900 3.988 50 0 HHAAMO COCC1CC[NH+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)CC1 ZINC000011664694 558268104 /nfs/dbraw/zinc/26/81/04/558268104.db2.gz LEVLERPJEXVDTO-UHFFFAOYSA-N 1 1 404.580 3.661 50 0 HHAAMO COc1ccc(N[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)cc1OC ZINC000011754011 558272735 /nfs/dbraw/zinc/27/27/35/558272735.db2.gz ZLGMWTJAGWLSIY-OAQYLSRUSA-N 1 1 410.562 3.640 50 0 HHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011769985 558274330 /nfs/dbraw/zinc/27/43/30/558274330.db2.gz QMSWPEWXAGOUQK-JOCHJYFZSA-N 1 1 418.541 3.883 50 0 HHAAMO Cn1cnnc1Sc1ccc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000019792436 558283338 /nfs/dbraw/zinc/28/33/38/558283338.db2.gz YCHSHAIJUMJNFY-LJQANCHMSA-N 1 1 411.575 3.698 50 0 HHAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000011820020 558283461 /nfs/dbraw/zinc/28/34/61/558283461.db2.gz TYBUGCYZPSUXQW-GOSISDBHSA-N 1 1 422.504 3.961 50 0 HHAAMO COc1ccccc1-c1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000011820020 558283462 /nfs/dbraw/zinc/28/34/62/558283462.db2.gz TYBUGCYZPSUXQW-GOSISDBHSA-N 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COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842050 558294321 /nfs/dbraw/zinc/29/43/21/558294321.db2.gz UNWXPWPWYIOSRQ-OAQYLSRUSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842050 558294324 /nfs/dbraw/zinc/29/43/24/558294324.db2.gz UNWXPWPWYIOSRQ-OAQYLSRUSA-N 1 1 401.501 3.760 50 0 HHAAMO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011910978 558296903 /nfs/dbraw/zinc/29/69/03/558296903.db2.gz YHOONRXVGGIWAB-SFHVURJKSA-N 1 1 415.541 3.591 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000011936475 558300404 /nfs/dbraw/zinc/30/04/04/558300404.db2.gz KIDWAHSOZDQFTR-GOSISDBHSA-N 1 1 419.481 3.909 50 0 HHAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1cccc(Cl)c1 ZINC000019897673 558304227 /nfs/dbraw/zinc/30/42/27/558304227.db2.gz ULHPCNNKDBSCFS-QGZVFWFLSA-N 1 1 424.932 3.542 50 0 HHAAMO CCCCOc1c(I)cc(CNCC[NH+](C)C)cc1OCC ZINC000019922781 558307356 /nfs/dbraw/zinc/30/73/56/558307356.db2.gz ZVTKAGYOTLTGEI-UHFFFAOYSA-N 1 1 420.335 3.520 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019956655 558315022 /nfs/dbraw/zinc/31/50/22/558315022.db2.gz YKAABNBEPBHASU-HXUWFJFHSA-N 1 1 423.557 3.546 50 0 HHAAMO CC1=C(CC[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 ZINC000012054347 558315125 /nfs/dbraw/zinc/31/51/25/558315125.db2.gz JHNXZDPRHOVKEL-SFHVURJKSA-N 1 1 401.599 3.886 50 0 HHAAMO Cn1cc(C[NH+]2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)cn1 ZINC000012073190 558318252 /nfs/dbraw/zinc/31/82/52/558318252.db2.gz DGORRMKRDRFXAK-UHFFFAOYSA-N 1 1 416.953 3.743 50 0 HHAAMO COCCN(Cc1ccc(COC)o1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020204745 558346582 /nfs/dbraw/zinc/34/65/82/558346582.db2.gz CZTGEGCYMNDDNT-HXUWFJFHSA-N 1 1 412.574 3.754 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@@H]2CCO)c(C)c1C ZINC000020211595 558347717 /nfs/dbraw/zinc/34/77/17/558347717.db2.gz RZSYFHNSQOFIGK-NRFANRHFSA-N 1 1 416.537 3.529 50 0 HHAAMO Cc1nc(-c2ccccc2)sc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000020426529 558362150 /nfs/dbraw/zinc/36/21/50/558362150.db2.gz HGDBRQOKVOGLNX-UHFFFAOYSA-N 1 1 412.603 3.799 50 0 HHAAMO OCC[C@H]1C[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC000020452616 558366873 /nfs/dbraw/zinc/36/68/73/558366873.db2.gz JSSUDFYYXWDONC-DEOSSOPVSA-N 1 1 413.993 3.878 50 0 HHAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000012299335 558369299 /nfs/dbraw/zinc/36/92/99/558369299.db2.gz IYKQQVYKRGEGBZ-NRFANRHFSA-N 1 1 416.522 3.516 50 0 HHAAMO Cc1cn2c(C(=O)N(C)C[C@H]3CCC[N@@H+](CCc4ccccc4F)C3)csc2n1 ZINC000012302464 558372144 /nfs/dbraw/zinc/37/21/44/558372144.db2.gz MCHJQKPCCKVFAU-QGZVFWFLSA-N 1 1 414.550 3.870 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000012306578 558375264 /nfs/dbraw/zinc/37/52/64/558375264.db2.gz XDWZQSFXSXZQIB-NRFANRHFSA-N 1 1 416.525 3.966 50 0 HHAAMO OC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012314590 558378096 /nfs/dbraw/zinc/37/80/96/558378096.db2.gz CXJHBAATRGEOQL-IBGZPJMESA-N 1 1 405.498 3.531 50 0 HHAAMO COc1ccc(-c2noc(C[NH+]3CCC(c4ccncc4)CC3)n2)c(OC)c1OC ZINC000012315350 558378601 /nfs/dbraw/zinc/37/86/01/558378601.db2.gz FTGZERWKQNJNFM-UHFFFAOYSA-N 1 1 410.474 3.537 50 0 HHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000012439310 558410869 /nfs/dbraw/zinc/41/08/69/558410869.db2.gz SULFUVIXADZQTC-UHFFFAOYSA-N 1 1 410.481 3.880 50 0 HHAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020908617 558421717 /nfs/dbraw/zinc/42/17/17/558421717.db2.gz UGCGHCLEVHEWLA-QFIPXVFZSA-N 1 1 402.558 3.543 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1NC(=O)c1ccccc1 ZINC000020958255 558424879 /nfs/dbraw/zinc/42/48/79/558424879.db2.gz CPDNDBJFEDSDPS-UHFFFAOYSA-N 1 1 421.541 3.704 50 0 HHAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020993883 558426532 /nfs/dbraw/zinc/42/65/32/558426532.db2.gz HOXXHZMKITYHDE-QFIPXVFZSA-N 1 1 421.545 3.673 50 0 HHAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)o1 ZINC000012586595 558434152 /nfs/dbraw/zinc/43/41/52/558434152.db2.gz UPNQFMNVZIGERK-QFIPXVFZSA-N 1 1 412.559 3.767 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnc(N)nc4)C3)cc2)c1 ZINC000012703266 558448525 /nfs/dbraw/zinc/44/85/25/558448525.db2.gz CCHYSMBBVDACRD-FQEVSTJZSA-N 1 1 417.513 3.585 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000012713435 558453854 /nfs/dbraw/zinc/45/38/54/558453854.db2.gz FFEVATIZFAXHBO-XMMPIXPASA-N 1 1 411.498 3.812 50 0 HHAAMO CCc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012998842 558499701 /nfs/dbraw/zinc/49/97/01/558499701.db2.gz ONHGLBMDNQUSQU-LJQANCHMSA-N 1 1 419.447 3.987 50 0 HHAAMO CCc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000012998842 558499702 /nfs/dbraw/zinc/49/97/02/558499702.db2.gz ONHGLBMDNQUSQU-LJQANCHMSA-N 1 1 419.447 3.987 50 0 HHAAMO O[C@H](COC(c1ccccc1)c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022860279 558517450 /nfs/dbraw/zinc/51/74/50/558517450.db2.gz HQTANMYTJJULQY-SANMLTNESA-N 1 1 416.565 3.971 50 0 HHAAMO COCc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914465 558521194 /nfs/dbraw/zinc/52/11/94/558521194.db2.gz YXPAOVPHNNTSEM-XMMPIXPASA-N 1 1 409.574 3.628 50 0 HHAAMO COCc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914465 558521196 /nfs/dbraw/zinc/52/11/96/558521196.db2.gz YXPAOVPHNNTSEM-XMMPIXPASA-N 1 1 409.574 3.628 50 0 HHAAMO CC(C)[N@H+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1CCO ZINC000022919854 558522562 /nfs/dbraw/zinc/52/25/62/558522562.db2.gz ROBMEYMLOXIAHC-DEOSSOPVSA-N 1 1 404.558 3.816 50 0 HHAAMO CC(=O)Nc1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022930525 558524248 /nfs/dbraw/zinc/52/42/48/558524248.db2.gz VDWWHYMXIGSUME-UHFFFAOYSA-N 1 1 422.554 3.616 50 0 HHAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938404 558527504 /nfs/dbraw/zinc/52/75/04/558527504.db2.gz PHYSHIFZXYXUJD-FQEVSTJZSA-N 1 1 409.530 3.978 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)c(F)c1 ZINC000023373594 558553536 /nfs/dbraw/zinc/55/35/36/558553536.db2.gz BVBRCFFEJDSXBO-IBGZPJMESA-N 1 1 404.551 3.625 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)c(F)c1 ZINC000023373594 558553539 /nfs/dbraw/zinc/55/35/39/558553539.db2.gz BVBRCFFEJDSXBO-IBGZPJMESA-N 1 1 404.551 3.625 50 0 HHAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000013768264 558591309 /nfs/dbraw/zinc/59/13/09/558591309.db2.gz ZVKBSENSURYYII-GMKZXUHWSA-N 1 1 400.563 3.812 50 0 HHAAMO CCOC(=O)c1c(NC(=S)N2CC[NH+](C)CC2)sc(C)c1-c1ccccc1 ZINC000013826119 558596435 /nfs/dbraw/zinc/59/64/35/558596435.db2.gz PSZBMABCBLQDMS-UHFFFAOYSA-N 1 1 403.573 3.844 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@@H](C)O1 ZINC000025082339 558630891 /nfs/dbraw/zinc/63/08/91/558630891.db2.gz DFSVZEXUOLFFTR-QZTJIDSGSA-N 1 1 418.541 3.914 50 0 HHAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000025606218 558645531 /nfs/dbraw/zinc/64/55/31/558645531.db2.gz OYEAIDPUMHODSQ-VWNXMTODSA-N 1 1 407.558 3.780 50 0 HHAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000025606228 558645567 /nfs/dbraw/zinc/64/55/67/558645567.db2.gz OYEAIDPUMHODSQ-ISKFKSNPSA-N 1 1 407.558 3.780 50 0 HHAAMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000026173134 558656788 /nfs/dbraw/zinc/65/67/88/558656788.db2.gz WYTWCMWAKPFZQN-ZWKOTPCHSA-N 1 1 420.557 3.842 50 0 HHAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014536162 558658208 /nfs/dbraw/zinc/65/82/08/558658208.db2.gz DVMZLFMHBYPJKW-NRFANRHFSA-N 1 1 404.558 3.786 50 0 HHAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014540353 558659681 /nfs/dbraw/zinc/65/96/81/558659681.db2.gz OSTKRBHOUUXUJR-VQTJNVASSA-N 1 1 414.521 3.965 50 0 HHAAMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000027992462 558688535 /nfs/dbraw/zinc/68/85/35/558688535.db2.gz KLGMEZZFDRRRRT-IBGZPJMESA-N 1 1 402.579 3.903 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000015063597 558706122 /nfs/dbraw/zinc/70/61/22/558706122.db2.gz MLRWHIWOXVKHMI-XMMPIXPASA-N 1 1 412.505 3.977 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015067245 558710224 /nfs/dbraw/zinc/71/02/24/558710224.db2.gz ABLSGFLPCIFIAL-SCKYHZLTSA-N 1 1 411.590 3.942 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc3nccnc23)C1 ZINC000015068890 558711485 /nfs/dbraw/zinc/71/14/85/558711485.db2.gz PCRNTDYZUZIJQI-FQEVSTJZSA-N 1 1 417.557 3.718 50 0 HHAAMO COc1cc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)ccc1OC(F)F ZINC000016420798 558790358 /nfs/dbraw/zinc/79/03/58/558790358.db2.gz IOYJUGVWYRNRPM-ZDUSSCGKSA-N 1 1 410.486 3.936 50 0 HHAAMO COc1cc(CN(C)C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)ccc1OC(F)F ZINC000016420798 558790359 /nfs/dbraw/zinc/79/03/59/558790359.db2.gz IOYJUGVWYRNRPM-ZDUSSCGKSA-N 1 1 410.486 3.936 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000018218016 558833887 /nfs/dbraw/zinc/83/38/87/558833887.db2.gz FLSSLAIUYYVLRT-QFIPXVFZSA-N 1 1 410.489 3.811 50 0 HHAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000019221256 558851790 /nfs/dbraw/zinc/85/17/90/558851790.db2.gz GMRQTPIFZRPPEU-DEOSSOPVSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000019221256 558851791 /nfs/dbraw/zinc/85/17/91/558851791.db2.gz GMRQTPIFZRPPEU-DEOSSOPVSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000019221256 558851793 /nfs/dbraw/zinc/85/17/93/558851793.db2.gz GMRQTPIFZRPPEU-DEOSSOPVSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183312 558875236 /nfs/dbraw/zinc/87/52/36/558875236.db2.gz QISPJOWAWNJVIT-QHCPKHFHSA-N 1 1 420.601 3.911 50 0 HHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183312 558875237 /nfs/dbraw/zinc/87/52/37/558875237.db2.gz QISPJOWAWNJVIT-QHCPKHFHSA-N 1 1 420.601 3.911 50 0 HHAAMO c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307911 558878868 /nfs/dbraw/zinc/87/88/68/558878868.db2.gz CWZXMHRGETYTKU-RUZDIDTESA-N 1 1 401.558 3.659 50 0 HHAAMO c1cnn(-c2cccc(CN3CCC[C@@H]([NH+]4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307911 558878870 /nfs/dbraw/zinc/87/88/70/558878870.db2.gz CWZXMHRGETYTKU-RUZDIDTESA-N 1 1 401.558 3.659 50 0 HHAAMO O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058065882 558897780 /nfs/dbraw/zinc/89/77/80/558897780.db2.gz WBIAMUNDHGLPRS-GHTZIAJQSA-N 1 1 409.555 3.660 50 0 HHAAMO CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000058159182 558904440 /nfs/dbraw/zinc/90/44/40/558904440.db2.gz UKRUMFIJELGIKL-AWEZNQCLSA-N 1 1 413.921 3.997 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000058159182 558904442 /nfs/dbraw/zinc/90/44/42/558904442.db2.gz UKRUMFIJELGIKL-AWEZNQCLSA-N 1 1 413.921 3.997 50 0 HHAAMO CCC(CC)[C@@H](CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[NH+]1CCCC1 ZINC000058394067 558923987 /nfs/dbraw/zinc/92/39/87/558923987.db2.gz GCUIKPMWQAFNBP-HSZRJFAPSA-N 1 1 415.626 3.769 50 0 HHAAMO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000011203702 558946635 /nfs/dbraw/zinc/94/66/35/558946635.db2.gz YXHGZCAXXHRLRI-MRXNPFEDSA-N 1 1 421.463 3.931 50 0 HHAAMO Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000011203702 558946637 /nfs/dbraw/zinc/94/66/37/558946637.db2.gz YXHGZCAXXHRLRI-MRXNPFEDSA-N 1 1 421.463 3.931 50 0 HHAAMO COc1cccc([C@@]2(C[N@@H+](CCCn3ccnc3)Cc3ccncc3)CCOC2)c1 ZINC000063869952 558960330 /nfs/dbraw/zinc/96/03/30/558960330.db2.gz JURYNZMZYSFEDZ-XMMPIXPASA-N 1 1 406.530 3.537 50 0 HHAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068923 558977611 /nfs/dbraw/zinc/97/76/11/558977611.db2.gz XXDODBCGFHTRFP-UHFFFAOYSA-N 1 1 417.962 3.937 50 0 HHAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068923 558977613 /nfs/dbraw/zinc/97/76/13/558977613.db2.gz XXDODBCGFHTRFP-UHFFFAOYSA-N 1 1 417.962 3.937 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000067601872 558987502 /nfs/dbraw/zinc/98/75/02/558987502.db2.gz IZKNMROCMOXPMQ-UHFFFAOYSA-N 1 1 415.541 3.891 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3nc4ccccc4n3C)C2)cc1 ZINC000076949820 558998847 /nfs/dbraw/zinc/99/88/47/558998847.db2.gz HOPHBPNWKOZLAZ-OAQYLSRUSA-N 1 1 406.574 3.968 50 0 HHAAMO CCN(CC(C)(C)C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115630 559039052 /nfs/dbraw/zinc/03/90/52/559039052.db2.gz LXBOAVSCJSVNJO-NRFANRHFSA-N 1 1 400.611 3.653 50 0 HHAAMO CN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCCC1 ZINC000082115027 559039059 /nfs/dbraw/zinc/03/90/59/559039059.db2.gz VBBJMQLVDACWLL-QFIPXVFZSA-N 1 1 412.622 3.939 50 0 HHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1 ZINC000095511575 559083941 /nfs/dbraw/zinc/08/39/41/559083941.db2.gz LTEVRZHMUVDODN-KRWDZBQOSA-N 1 1 403.486 3.590 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000248024720 559119542 /nfs/dbraw/zinc/11/95/42/559119542.db2.gz KWNJDAAJXUHYPI-VAMGGRTRSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000248024720 559119543 /nfs/dbraw/zinc/11/95/43/559119543.db2.gz KWNJDAAJXUHYPI-VAMGGRTRSA-N 1 1 411.512 3.850 50 0 HHAAMO FC(F)(F)COc1cccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000408512857 559212616 /nfs/dbraw/zinc/21/26/16/559212616.db2.gz XSORDCZQDDDPQQ-UHFFFAOYSA-N 1 1 410.440 3.596 50 0 HHAAMO COCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011840151 559261475 /nfs/dbraw/zinc/26/14/75/559261475.db2.gz AMNFINGMRYOHAW-JOCHJYFZSA-N 1 1 404.457 3.719 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011950594 559268909 /nfs/dbraw/zinc/26/89/09/559268909.db2.gz USENGLFJZIJEIU-NRFANRHFSA-N 1 1 416.562 3.891 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011950594 559268911 /nfs/dbraw/zinc/26/89/11/559268911.db2.gz USENGLFJZIJEIU-NRFANRHFSA-N 1 1 416.562 3.891 50 0 HHAAMO Cc1sc2nc(N3CC[NH+](Cc4ccccc4Cl)CC3)n3ncnc3c2c1C ZINC000061966163 560563704 /nfs/dbraw/zinc/56/37/04/560563704.db2.gz YSLDMPZISVSQHY-UHFFFAOYSA-N 1 1 412.950 3.931 50 0 HHAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3CCCC(C)(C)C3)c21 ZINC000005477944 560594954 /nfs/dbraw/zinc/59/49/54/560594954.db2.gz KIVSAZKSXDYRGZ-UHFFFAOYSA-N 1 1 415.534 3.733 50 0 HHAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3CCCC(C)(C)C3)c21 ZINC000005477944 560594955 /nfs/dbraw/zinc/59/49/55/560594955.db2.gz KIVSAZKSXDYRGZ-UHFFFAOYSA-N 1 1 415.534 3.733 50 0 HHAAMO C[NH+](C)[C@@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000062587276 560632219 /nfs/dbraw/zinc/63/22/19/560632219.db2.gz DKYCQFYOLZZACR-OAHLLOKOSA-N 1 1 400.832 3.585 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000017305886 560707220 /nfs/dbraw/zinc/70/72/20/560707220.db2.gz JXBCUBHELJICIF-CQSZACIVSA-N 1 1 401.417 3.500 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000017305886 560707222 /nfs/dbraw/zinc/70/72/22/560707222.db2.gz JXBCUBHELJICIF-CQSZACIVSA-N 1 1 401.417 3.500 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982480 560858785 /nfs/dbraw/zinc/85/87/85/560858785.db2.gz DQFGLAYYLOBEOW-FGZHOGPDSA-N 1 1 414.521 3.997 50 0 HHAAMO COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983847 560858910 /nfs/dbraw/zinc/85/89/10/560858910.db2.gz SWEBFGJOZJHYJF-VQTJNVASSA-N 1 1 423.340 3.996 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](COC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000213852290 560879460 /nfs/dbraw/zinc/87/94/60/560879460.db2.gz PKYQEWRLPTUHMQ-HHMVEJHFSA-N 1 1 410.514 3.574 50 0 HHAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000012072343 560888529 /nfs/dbraw/zinc/88/85/29/560888529.db2.gz JOMLVDKACLEQHV-QGZVFWFLSA-N 1 1 408.502 3.510 50 0 HHAAMO O=C1Nc2cc(Br)ccc2[C@@H]1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000108173913 560898344 /nfs/dbraw/zinc/89/83/44/560898344.db2.gz ZZWMEUORAUBYTE-RDJZCZTQSA-N 1 1 405.292 3.759 50 0 HHAAMO CCCc1nn2c(nc(C[N@@H+](CCC)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032475 568424743 /nfs/dbraw/zinc/42/47/43/568424743.db2.gz JPPBTHCWMSALNA-UHFFFAOYSA-N 1 1 400.548 3.914 50 0 HHAAMO COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032230 568424746 /nfs/dbraw/zinc/42/47/46/568424746.db2.gz JEYZTUCQJGZETA-UHFFFAOYSA-N 1 1 424.501 3.606 50 0 HHAAMO COCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032230 568424747 /nfs/dbraw/zinc/42/47/47/568424747.db2.gz JEYZTUCQJGZETA-UHFFFAOYSA-N 1 1 424.501 3.606 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000048278988 568435851 /nfs/dbraw/zinc/43/58/51/568435851.db2.gz RGOQDHRZOFNZBQ-IBGZPJMESA-N 1 1 416.525 3.537 50 0 HHAAMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C(C)C)cc2)[NH+]2CCCC2)c1 ZINC000048374889 568442666 /nfs/dbraw/zinc/44/26/66/568442666.db2.gz NSOWOPXWUMFPOA-JOCHJYFZSA-N 1 1 402.560 3.934 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000024842602 568470711 /nfs/dbraw/zinc/47/07/11/568470711.db2.gz DLUPGZIKQDUUBE-OKILXGFUSA-N 1 1 420.966 3.643 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000024842602 568470713 /nfs/dbraw/zinc/47/07/13/568470713.db2.gz DLUPGZIKQDUUBE-OKILXGFUSA-N 1 1 420.966 3.643 50 0 HHAAMO Cc1ccc2nc(Cl)c3cc(C(=O)NCCC[NH+]4CCOCC4)sc3c2c1 ZINC000020321224 568598787 /nfs/dbraw/zinc/59/87/87/568598787.db2.gz HCUOHTQAKYIAAZ-UHFFFAOYSA-N 1 1 403.935 3.863 50 0 HHAAMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 ZINC000095400101 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VOZRGNISTFHBSB-UHFFFAOYSA-N 1 1 424.476 3.943 50 0 HHAAMO CC[C@@H](C)NC(=O)CCc1nc(C2=CC[N@H+](Cc3cccc(Cl)c3)CC2)no1 ZINC000021103350 568666721 /nfs/dbraw/zinc/66/67/21/568666721.db2.gz WLKJHHMTEREKIH-OAHLLOKOSA-N 1 1 402.926 3.860 50 0 HHAAMO CC[C@@H](C)NC(=O)CCc1nc(C2=CC[N@@H+](Cc3cccc(Cl)c3)CC2)no1 ZINC000021103350 568666724 /nfs/dbraw/zinc/66/67/24/568666724.db2.gz WLKJHHMTEREKIH-OAHLLOKOSA-N 1 1 402.926 3.860 50 0 HHAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000095956083 568669260 /nfs/dbraw/zinc/66/92/60/568669260.db2.gz WHHMBYZOKMZWCC-UHFFFAOYSA-N 1 1 405.567 3.772 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000095980594 568675334 /nfs/dbraw/zinc/67/53/34/568675334.db2.gz GCCSGAHCZZOYRH-SFHLNBCPSA-N 1 1 409.530 3.981 50 0 HHAAMO O=S(=O)(c1ccc(Br)s1)N1CC[NH+](C2CCCCCCC2)CC1 ZINC000095988588 568676889 /nfs/dbraw/zinc/67/68/89/568676889.db2.gz QNEKNDFAXGONIF-UHFFFAOYSA-N 1 1 421.426 3.930 50 0 HHAAMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3c(C)noc3-c3ccccc3)C2)cc(OC)c1 ZINC000096012453 568684874 /nfs/dbraw/zinc/68/48/74/568684874.db2.gz QSWDCBAMGYCSIV-IBGZPJMESA-N 1 1 421.497 3.672 50 0 HHAAMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3c(C)noc3-c3ccccc3)C2)cc(OC)c1 ZINC000096012453 568684876 /nfs/dbraw/zinc/68/48/76/568684876.db2.gz QSWDCBAMGYCSIV-IBGZPJMESA-N 1 1 421.497 3.672 50 0 HHAAMO COc1ccc(OC)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3cccs3)C2)c1 ZINC000242047857 568731985 /nfs/dbraw/zinc/73/19/85/568731985.db2.gz VQRJTIFPBPKPAD-IBGZPJMESA-N 1 1 413.543 3.929 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000086053452 568753272 /nfs/dbraw/zinc/75/32/72/568753272.db2.gz GTCAHMKSCHRHET-CQHJRZBDSA-N 1 1 409.917 3.942 50 0 HHAAMO O=C(N1CCC([N@H+]2CCc3sccc3C2)CC1)C1(c2ccccc2)CCOCC1 ZINC000225688889 568778903 /nfs/dbraw/zinc/77/89/03/568778903.db2.gz XDNIGWLLJKHUHX-UHFFFAOYSA-N 1 1 410.583 3.846 50 0 HHAAMO CC[C@@H](c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)[NH+](C)C ZINC000002623395 568788485 /nfs/dbraw/zinc/78/84/85/568788485.db2.gz AVLNBITYSNSDNT-AWEZNQCLSA-N 1 1 417.362 3.840 50 0 HHAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000057270814 568825481 /nfs/dbraw/zinc/82/54/81/568825481.db2.gz IUFMPKZYTSPMKI-JOCHJYFZSA-N 1 1 405.523 3.958 50 0 HHAAMO NC(=O)c1c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)sc2c1CCC2 ZINC000057383583 568831027 /nfs/dbraw/zinc/83/10/27/568831027.db2.gz NVKWVFAZBUGPIX-IBGZPJMESA-N 1 1 411.552 3.715 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(Cl)c(Cl)c2)N1)OCCCO4 ZINC000012507217 568839690 /nfs/dbraw/zinc/83/96/90/568839690.db2.gz CNPLHJGVPUBSAU-MRXNPFEDSA-N 1 1 404.257 3.601 50 0 HHAAMO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000012526091 568843024 /nfs/dbraw/zinc/84/30/24/568843024.db2.gz JIOZDNAHWQNLIR-IBGZPJMESA-N 1 1 423.966 3.524 50 0 HHAAMO CC(=O)c1c(C)nn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1C ZINC000299776647 568874765 /nfs/dbraw/zinc/87/47/65/568874765.db2.gz BPQHCAHGYAAOIM-ZCNNSNEGSA-N 1 1 405.502 3.827 50 0 HHAAMO CCCCOc1cc(C[NH2+]C[C@@H](CN(C)C)[C@H](O)c2ccccc2)ccc1OC ZINC000058152303 568892945 /nfs/dbraw/zinc/89/29/45/568892945.db2.gz ONXPXLPXAIUGHR-XUZZJYLKSA-N 1 1 400.563 3.875 50 0 HHAAMO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000083888887 568922864 /nfs/dbraw/zinc/92/28/64/568922864.db2.gz FXBOEULKOMCLPR-OAHLLOKOSA-N 1 1 424.372 3.552 50 0 HHAAMO CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086913 568940638 /nfs/dbraw/zinc/94/06/38/568940638.db2.gz MKONIVQEMSPLLH-UHFFFAOYSA-N 1 1 402.516 3.709 50 0 HHAAMO CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086913 568940641 /nfs/dbraw/zinc/94/06/41/568940641.db2.gz MKONIVQEMSPLLH-UHFFFAOYSA-N 1 1 402.516 3.709 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770197 568997446 /nfs/dbraw/zinc/99/74/46/568997446.db2.gz VLCRCPWSPJUFHY-SFHVURJKSA-N 1 1 415.607 3.679 50 0 HHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786978 569007670 /nfs/dbraw/zinc/00/76/70/569007670.db2.gz PUKTUUKHOACGEI-UHFFFAOYSA-N 1 1 402.542 3.941 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@H]2CCO)cc1C ZINC000104539062 569009011 /nfs/dbraw/zinc/00/90/11/569009011.db2.gz VVVGLEUFUMRMIO-HSZRJFAPSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)cc1C ZINC000104539062 569009012 /nfs/dbraw/zinc/00/90/12/569009012.db2.gz VVVGLEUFUMRMIO-HSZRJFAPSA-N 1 1 405.542 3.621 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015862440 569015785 /nfs/dbraw/zinc/01/57/85/569015785.db2.gz YVEVAFCJAQVSJM-QGZVFWFLSA-N 1 1 420.985 3.965 50 0 HHAAMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000012892611 569020229 /nfs/dbraw/zinc/02/02/29/569020229.db2.gz NYXXDZONHLKSER-HXUWFJFHSA-N 1 1 403.320 3.833 50 0 HHAAMO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000012912808 569021946 /nfs/dbraw/zinc/02/19/46/569021946.db2.gz UYINXUYDNYPGCP-OALUTQOASA-N 1 1 408.542 3.898 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000015971687 569025266 /nfs/dbraw/zinc/02/52/66/569025266.db2.gz GUKMKSGIQMCCDG-LZFQIVBZSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000015971687 569025267 /nfs/dbraw/zinc/02/52/67/569025267.db2.gz GUKMKSGIQMCCDG-LZFQIVBZSA-N 1 1 411.889 3.619 50 0 HHAAMO c1c(CN2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000023358788 569031996 /nfs/dbraw/zinc/03/19/96/569031996.db2.gz GYZCCCHCWUEOMJ-QFIPXVFZSA-N 1 1 416.525 3.607 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035399204 569035250 /nfs/dbraw/zinc/03/52/50/569035250.db2.gz ZEUYNZQKLXVGRZ-LJQANCHMSA-N 1 1 400.567 3.701 50 0 HHAAMO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016396108 569040939 /nfs/dbraw/zinc/04/09/39/569040939.db2.gz QAZIQKBECHYOKX-KRWDZBQOSA-N 1 1 411.571 3.764 50 0 HHAAMO CCOC(=O)c1nc2onc(C)c2c(NCCC[N@@H+](Cc2ccccc2)C(C)C)n1 ZINC000035534917 569043488 /nfs/dbraw/zinc/04/34/88/569043488.db2.gz NBGACWRQDYVKJD-UHFFFAOYSA-N 1 1 411.506 3.816 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000013020916 569051173 /nfs/dbraw/zinc/05/11/73/569051173.db2.gz NDWUSIUBWTURGX-AWEZNQCLSA-N 1 1 414.307 3.661 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000013020916 569051174 /nfs/dbraw/zinc/05/11/74/569051174.db2.gz NDWUSIUBWTURGX-AWEZNQCLSA-N 1 1 414.307 3.661 50 0 HHAAMO COc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 ZINC000252515837 569057976 /nfs/dbraw/zinc/05/79/76/569057976.db2.gz NYQFFWVOAXLMOK-RBUKOAKNSA-N 1 1 408.420 3.953 50 0 HHAAMO COc1cc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(OC)cc1Cl ZINC000089420789 569060160 /nfs/dbraw/zinc/06/01/60/569060160.db2.gz YFSZENZHCWRGEG-IBGZPJMESA-N 1 1 418.921 3.569 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035808680 569060874 /nfs/dbraw/zinc/06/08/74/569060874.db2.gz ZAWMPHYQFCUMKA-UVQUFPMPSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000035808680 569060875 /nfs/dbraw/zinc/06/08/75/569060875.db2.gz ZAWMPHYQFCUMKA-UVQUFPMPSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc2cc(CNC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000089467151 569060931 /nfs/dbraw/zinc/06/09/31/569060931.db2.gz DGHBWNCMSYZPEQ-DEOSSOPVSA-N 1 1 404.510 3.756 50 0 HHAAMO COc1ccc2cc(CNC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000089467151 569060932 /nfs/dbraw/zinc/06/09/32/569060932.db2.gz DGHBWNCMSYZPEQ-DEOSSOPVSA-N 1 1 404.510 3.756 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000006552860 569065366 /nfs/dbraw/zinc/06/53/66/569065366.db2.gz RWOXJWYTXQBZBM-UHFFFAOYSA-N 1 1 409.486 3.871 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000035991294 569074600 /nfs/dbraw/zinc/07/46/00/569074600.db2.gz MHKKRYVXSAPVRM-HSZRJFAPSA-N 1 1 421.541 3.949 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000035991294 569074601 /nfs/dbraw/zinc/07/46/01/569074601.db2.gz MHKKRYVXSAPVRM-HSZRJFAPSA-N 1 1 421.541 3.949 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)C2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000035991621 569074702 /nfs/dbraw/zinc/07/47/02/569074702.db2.gz DMLNUJWIPIVDDF-LJQANCHMSA-N 1 1 405.564 3.916 50 0 HHAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103539 569092205 /nfs/dbraw/zinc/09/22/05/569092205.db2.gz CPDPHBGUCZSSQX-QHCPKHFHSA-N 1 1 405.494 3.995 50 0 HHAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(Br)cc1)OCCO3 ZINC000064794932 569096297 /nfs/dbraw/zinc/09/62/97/569096297.db2.gz ZDUBETYDRHHZSQ-UHFFFAOYSA-N 1 1 402.248 3.517 50 0 HHAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801056 569096890 /nfs/dbraw/zinc/09/68/90/569096890.db2.gz XWPVSOSEDPMTAM-UHFFFAOYSA-N 1 1 407.449 3.757 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145896 569098504 /nfs/dbraw/zinc/09/85/04/569098504.db2.gz FCTWSSQCXSTXJF-RTWAWAEBSA-N 1 1 402.922 3.733 50 0 HHAAMO O[C@H](COCc1ccco1)C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147639 569098571 /nfs/dbraw/zinc/09/85/71/569098571.db2.gz MEBPLAYPCJMECK-IBGZPJMESA-N 1 1 423.469 3.545 50 0 HHAAMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036250192 569119150 /nfs/dbraw/zinc/11/91/50/569119150.db2.gz HQMKGIPXKCEMGF-PGRDOPGGSA-N 1 1 415.553 3.543 50 0 HHAAMO COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169678534 569126002 /nfs/dbraw/zinc/12/60/02/569126002.db2.gz BNOFXMNAWAIVGP-VWNXMTODSA-N 1 1 405.542 3.939 50 0 HHAAMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2cc(Cl)ccc21 ZINC000169680685 569127391 /nfs/dbraw/zinc/12/73/91/569127391.db2.gz BXWNTNUOICLLTI-JXFKEZNVSA-N 1 1 403.954 3.935 50 0 biogenic HHAAMO O=S(=O)(c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nn1)C1CCCCC1 ZINC000064942838 569127520 /nfs/dbraw/zinc/12/75/20/569127520.db2.gz WRSJFVINEQFCQX-UHFFFAOYSA-N 1 1 414.575 3.660 50 0 HHAAMO CCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)[C@H](C)CC ZINC000036312148 569132772 /nfs/dbraw/zinc/13/27/72/569132772.db2.gz OKUOEXMEWQYRLY-MRXNPFEDSA-N 1 1 402.514 3.770 50 0 HHAAMO Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036341899 569142080 /nfs/dbraw/zinc/14/20/80/569142080.db2.gz UMHSNZOPEFTEBA-HSZRJFAPSA-N 1 1 404.489 3.974 50 0 HHAAMO Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036341899 569142082 /nfs/dbraw/zinc/14/20/82/569142082.db2.gz UMHSNZOPEFTEBA-HSZRJFAPSA-N 1 1 404.489 3.974 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000036390050 569165516 /nfs/dbraw/zinc/16/55/16/569165516.db2.gz RUOAGGNHMSYGST-WMLDXEAASA-N 1 1 407.440 3.879 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccccc2Cl)C1 ZINC000036394275 569168017 /nfs/dbraw/zinc/16/80/17/569168017.db2.gz YCUDOWFPEIQMIP-QGZVFWFLSA-N 1 1 413.949 3.618 50 0 HHAAMO CCCN1c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2Sc2ncccc2C1=O ZINC000065241397 569204009 /nfs/dbraw/zinc/20/40/09/569204009.db2.gz CXYHRXHQJOKXMY-UHFFFAOYSA-N 1 1 424.570 3.769 50 0 HHAAMO Fc1cc(F)cc(C[N@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257948 569209926 /nfs/dbraw/zinc/20/99/26/569209926.db2.gz YNYDBMINJCBFNT-UHFFFAOYSA-N 1 1 411.456 4.000 50 0 HHAAMO O=C(COc1ccc(Cl)cc1Cl)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699993 569222479 /nfs/dbraw/zinc/22/24/79/569222479.db2.gz FZJDYNWGTDAVID-FQEVSTJZSA-N 1 1 423.340 3.952 50 0 HHAAMO O=C(COc1ccc(Cl)cc1Cl)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699993 569222480 /nfs/dbraw/zinc/22/24/80/569222480.db2.gz FZJDYNWGTDAVID-FQEVSTJZSA-N 1 1 423.340 3.952 50 0 HHAAMO Cc1ncc(Br)c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000170608069 569245186 /nfs/dbraw/zinc/24/51/86/569245186.db2.gz ZQBIILDJWGNUSB-AWEZNQCLSA-N 1 1 409.372 3.664 50 0 HHAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000170613509 569246871 /nfs/dbraw/zinc/24/68/71/569246871.db2.gz DGVXAVIHODYYOB-IAGOWNOFSA-N 1 1 417.579 3.683 50 0 HHAAMO Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000016993950 569270832 /nfs/dbraw/zinc/27/08/32/569270832.db2.gz RLPAASODCTZIPH-JOCHJYFZSA-N 1 1 423.557 3.520 50 0 HHAAMO Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c(C)c1 ZINC000016993950 569270834 /nfs/dbraw/zinc/27/08/34/569270834.db2.gz RLPAASODCTZIPH-JOCHJYFZSA-N 1 1 423.557 3.520 50 0 HHAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2 ZINC000012660830 569402552 /nfs/dbraw/zinc/40/25/52/569402552.db2.gz BVCMOJHQNDYZII-JKSUJKDBSA-N 1 1 420.303 3.839 50 0 biogenic HHAAMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533058 571075060 /nfs/dbraw/zinc/07/50/60/571075060.db2.gz JMJZSTXSMXIDKQ-INIZCTEOSA-N 1 1 422.554 3.890 50 0 HHAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777810 571118465 /nfs/dbraw/zinc/11/84/65/571118465.db2.gz ZKMAAHHVFDJQII-UGSOOPFHSA-N 1 1 418.400 3.689 50 0 HHAAMO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000040108098 571167842 /nfs/dbraw/zinc/16/78/42/571167842.db2.gz GKXKHLBIZXSMRO-KRMOAVESSA-N 1 1 417.638 3.582 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000040115652 571173285 /nfs/dbraw/zinc/17/32/85/571173285.db2.gz DYHLQXKSKQDLPB-UHFFFAOYSA-N 1 1 404.558 3.554 50 0 HHAAMO CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)C1 ZINC000040157633 571204139 /nfs/dbraw/zinc/20/41/39/571204139.db2.gz TZAHRJAUVGLPAW-ZDUSSCGKSA-N 1 1 400.832 3.759 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245280750 571222545 /nfs/dbraw/zinc/22/25/45/571222545.db2.gz RPICABBINFTRDJ-REWPJTCUSA-N 1 1 415.553 3.511 50 0 HHAAMO COc1ccc(C[N@@H+](CC(=O)NCC(F)(F)F)[C@H](C)Cc2cccs2)cc1 ZINC000009863680 571288817 /nfs/dbraw/zinc/28/88/17/571288817.db2.gz WXGZGGKCKUQDHZ-CQSZACIVSA-N 1 1 400.466 3.868 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000169678069 571315556 /nfs/dbraw/zinc/31/55/56/571315556.db2.gz ZZIPQWFPWLQCEV-FPOVZHCZSA-N 1 1 416.587 3.776 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)C)[N@H+](Cc1ccccc1C)CC2 ZINC000034855673 571316708 /nfs/dbraw/zinc/31/67/08/571316708.db2.gz XKYTTYLZHFFMQZ-NRFANRHFSA-N 1 1 411.546 3.819 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)C)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855673 571316709 /nfs/dbraw/zinc/31/67/09/571316709.db2.gz XKYTTYLZHFFMQZ-NRFANRHFSA-N 1 1 411.546 3.819 50 0 HHAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C(C)C ZINC000036249337 571317471 /nfs/dbraw/zinc/31/74/71/571317471.db2.gz XQQPOJAKHCWFKR-UHFFFAOYSA-N 1 1 416.541 3.873 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000011782501 962189124 /nfs/dbraw/zinc/18/91/24/962189124.db2.gz MHRNBTIABQHAHA-AWEZNQCLSA-N 1 1 407.436 3.698 50 0 HHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2cn3ccccc3n2)C1 ZINC000011820349 962199999 /nfs/dbraw/zinc/19/99/99/962199999.db2.gz DMDXXPJDAUNFJS-JOCHJYFZSA-N 1 1 418.585 3.988 50 0 HHAAMO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012218716 962256465 /nfs/dbraw/zinc/25/64/65/962256465.db2.gz OPWYJCANLDKKDT-MRXNPFEDSA-N 1 1 424.570 3.789 50 0 HHAAMO CC(C)c1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)[nH]n1 ZINC000012302351 962268987 /nfs/dbraw/zinc/26/89/87/962268987.db2.gz UOIPLOQJNZMPQQ-UHFFFAOYSA-N 1 1 406.534 3.748 50 0 HHAAMO COC(=O)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)c1 ZINC000012433177 962279638 /nfs/dbraw/zinc/27/96/38/962279638.db2.gz OZIHAHGGIWIKPE-VWLOTQADSA-N 1 1 422.525 3.610 50 0 HHAAMO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c(OC)c1 ZINC000012711015 962315480 /nfs/dbraw/zinc/31/54/80/962315480.db2.gz HWJUQWVCXZFCDW-HMHJJOSWSA-N 1 1 422.525 3.650 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccccc2SC)CC1 ZINC000012748290 962324582 /nfs/dbraw/zinc/32/45/82/962324582.db2.gz BYMWNYVFJNWGDV-IBGZPJMESA-N 1 1 417.619 3.641 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000012754458 962324864 /nfs/dbraw/zinc/32/48/64/962324864.db2.gz GVTWWAKVYFSOGJ-HNNXBMFYSA-N 1 1 409.511 3.667 50 0 HHAAMO CC(C)CN1C[C@@H](OCc2ccccc2)C[N@H+](Cc2cccc3nccnc23)CC1=O ZINC000014745230 962567715 /nfs/dbraw/zinc/56/77/15/962567715.db2.gz DGTYNKJIHHYFGW-QFIPXVFZSA-N 1 1 418.541 3.515 50 0 HHAAMO CC(C)CN1C[C@@H](OCc2ccccc2)C[N@@H+](Cc2cccc3nccnc23)CC1=O ZINC000014745230 962567727 /nfs/dbraw/zinc/56/77/27/962567727.db2.gz DGTYNKJIHHYFGW-QFIPXVFZSA-N 1 1 418.541 3.515 50 0 HHAAMO Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3cccs3)c2)n(C)n1 ZINC000014878628 962597634 /nfs/dbraw/zinc/59/76/34/962597634.db2.gz SVMLTTAWKKPLMG-QGZVFWFLSA-N 1 1 412.559 3.619 50 0 HHAAMO CSc1ncc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000015067385 962645472 /nfs/dbraw/zinc/64/54/72/962645472.db2.gz VYWROMVACAMSIL-NRFANRHFSA-N 1 1 404.624 3.834 50 0 HHAAMO Cc1ccc2occ(C[N@H+]3CCc4nnc(CCc5ccccc5)n4CC3)c(=O)c2c1 ZINC000019226084 963357443 /nfs/dbraw/zinc/35/74/43/963357443.db2.gz IVEODNIUOIDOTL-UHFFFAOYSA-N 1 1 414.509 3.536 50 0 HHAAMO Cc1ccc2occ(C[N@@H+]3CCc4nnc(CCc5ccccc5)n4CC3)c(=O)c2c1 ZINC000019226084 963357449 /nfs/dbraw/zinc/35/74/49/963357449.db2.gz IVEODNIUOIDOTL-UHFFFAOYSA-N 1 1 414.509 3.536 50 0 HHAAMO Cn1ccnc1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000019228737 963357878 /nfs/dbraw/zinc/35/78/78/963357878.db2.gz QYWXKBNRZJLGCP-UHFFFAOYSA-N 1 1 412.541 3.795 50 0 HHAAMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745119 963375074 /nfs/dbraw/zinc/37/50/74/963375074.db2.gz WTQQWFDYLVQIKA-HSZRJFAPSA-N 1 1 408.542 3.929 50 0 HHAAMO COc1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)ccc1F ZINC000020234053 963386191 /nfs/dbraw/zinc/38/61/91/963386191.db2.gz PIBJGTDDZKGXKY-WXVUKLJWSA-N 1 1 410.489 3.781 50 0 HHAAMO CC(C)CC[C@]1(C2CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)NC(=O)NC1=O ZINC000055134386 965765231 /nfs/dbraw/zinc/76/52/31/965765231.db2.gz IFCCCQXOLCHDTE-PZNLSKEWSA-N 1 1 403.954 3.993 50 0 HHAAMO CCCN1CCN(C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)CC1 ZINC000039358072 966492270 /nfs/dbraw/zinc/49/22/70/966492270.db2.gz NKNDWLQTJHTKCW-UHFFFAOYSA-N 1 1 401.595 3.744 50 0 HHAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C\c2ccc(Br)s2)C[C@H](C)O1 ZINC000098055413 969186913 /nfs/dbraw/zinc/18/69/13/969186913.db2.gz SYXJJCPLCGFMTF-WUAZGKCJSA-N 1 1 413.381 3.624 50 0 HHAAMO COCCOc1cccc(C=Cc2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000098055775 969187206 /nfs/dbraw/zinc/18/72/06/969187206.db2.gz DWBAPQJQLOVWCE-KHPPLWFESA-N 1 1 417.509 3.936 50 0 HHAAMO COCCOc1cccc(C=Cc2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000098055775 969187212 /nfs/dbraw/zinc/18/72/12/969187212.db2.gz DWBAPQJQLOVWCE-KHPPLWFESA-N 1 1 417.509 3.936 50 0 HHAAMO 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ZINC000006820094 132318064 /nfs/dbraw/zinc/31/80/64/132318064.db2.gz PHISGVWONKNVQS-UHFFFAOYSA-N 1 1 417.509 3.953 50 0 HHAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554794 132325008 /nfs/dbraw/zinc/32/50/08/132325008.db2.gz RSCUOCGZUGTDQZ-HOTGVXAUSA-N 1 1 420.538 3.850 50 0 HHAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554794 132325010 /nfs/dbraw/zinc/32/50/10/132325010.db2.gz RSCUOCGZUGTDQZ-HOTGVXAUSA-N 1 1 420.538 3.850 50 0 HHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000008161916 132328100 /nfs/dbraw/zinc/32/81/00/132328100.db2.gz GXMXCQSUYDJYNE-UHFFFAOYSA-N 1 1 422.573 3.584 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000008161916 132328101 /nfs/dbraw/zinc/32/81/01/132328101.db2.gz GXMXCQSUYDJYNE-UHFFFAOYSA-N 1 1 422.573 3.584 50 0 HHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000009668718 132342338 /nfs/dbraw/zinc/34/23/38/132342338.db2.gz 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C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000032860132 526216389 /nfs/dbraw/zinc/21/63/89/526216389.db2.gz PTIYBOZXTMIMIB-AWEZNQCLSA-N 1 1 405.420 3.901 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355171 526248571 /nfs/dbraw/zinc/24/85/71/526248571.db2.gz DPBWCJRDSRECMT-AWEZNQCLSA-N 1 1 404.511 3.529 50 0 HHAAMO Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000032727614 526863270 /nfs/dbraw/zinc/86/32/70/526863270.db2.gz KRHFPVWIXWZOMQ-MRXNPFEDSA-N 1 1 410.543 3.652 50 0 HHAAMO COc1ccc2cc(C[NH2+]Cc3ccccc3F)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000011782218 537035088 /nfs/dbraw/zinc/03/50/88/537035088.db2.gz XILQXIXJPVFADR-KRWDZBQOSA-N 1 1 409.505 3.881 50 0 HHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681654 557383395 /nfs/dbraw/zinc/38/33/95/557383395.db2.gz XLLJVXWGMFJBSA-UHFFFAOYSA-N 1 1 405.477 3.580 50 0 HHAAMO O=C(NCc1cccc(F)c1)c1csc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000034685178 557388314 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COCC[N@@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21)C(C)C ZINC000019741254 558262020 /nfs/dbraw/zinc/26/20/20/558262020.db2.gz GDZQLQDHARFNEG-UHFFFAOYSA-N 1 1 414.575 3.567 50 0 HHAAMO COc1cc(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cc(OC)c1OC ZINC000011817410 558280668 /nfs/dbraw/zinc/28/06/68/558280668.db2.gz LYWYIFOIURSXPY-SFHVURJKSA-N 1 1 404.551 3.558 50 0 HHAAMO Cn1cc(C[N@@H+](C)CCN2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000019782137 558281374 /nfs/dbraw/zinc/28/13/74/558281374.db2.gz SYUFCFGBDRGJEV-UHFFFAOYSA-N 1 1 406.530 3.643 50 0 HHAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1CCc1ccccc1 ZINC000019837731 558293194 /nfs/dbraw/zinc/29/31/94/558293194.db2.gz AAIULNQTTHSDBK-QHCPKHFHSA-N 1 1 424.976 3.841 50 0 HHAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccccc3)[N@H+]3CCC[C@@]123 ZINC000011935121 558299207 /nfs/dbraw/zinc/29/92/07/558299207.db2.gz KUVUSWFVYWBBTO-DDZLNHKNSA-N 1 1 424.548 3.982 50 0 HHAAMO CCc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)o1 ZINC000011950299 558302710 /nfs/dbraw/zinc/30/27/10/558302710.db2.gz FEPPBQFZLGJJBI-UHFFFAOYSA-N 1 1 413.562 3.519 50 0 HHAAMO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C[C@@H](c1cccnc1)N1CCCCC1 ZINC000012056832 558316198 /nfs/dbraw/zinc/31/61/98/558316198.db2.gz CDJVABFBWVRXFK-UPVQGACJSA-N 1 1 424.564 3.919 50 0 HHAAMO CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000012074358 558319261 /nfs/dbraw/zinc/31/92/61/558319261.db2.gz KZXLZAOUTRRLDT-GOSISDBHSA-N 1 1 423.548 3.833 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012092977 558324729 /nfs/dbraw/zinc/32/47/29/558324729.db2.gz GEMIQXMTTZAHJO-DEOSSOPVSA-N 1 1 414.553 3.635 50 0 HHAAMO COCCN1C(=O)CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4)c3)CC[C@@H]21 ZINC000012135846 558333826 /nfs/dbraw/zinc/33/38/26/558333826.db2.gz FYZKEEQEQZJDRL-VWNXMTODSA-N 1 1 408.542 3.725 50 0 HHAAMO CCCC[C@H]1C[N@@H+](CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 ZINC000012148983 558338533 /nfs/dbraw/zinc/33/85/33/558338533.db2.gz QWCRRBFJDMFHTA-NRFANRHFSA-N 1 1 412.578 3.539 50 0 HHAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CC[NH+](C)CC2)c1C ZINC000020192357 558344778 /nfs/dbraw/zinc/34/47/78/558344778.db2.gz AFPNZEVXFINEEQ-FQEVSTJZSA-N 1 1 410.543 3.942 50 0 HHAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294597 558354497 /nfs/dbraw/zinc/35/44/97/558354497.db2.gz JGUCXMRYILQGSW-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294597 558354499 /nfs/dbraw/zinc/35/44/99/558354499.db2.gz JGUCXMRYILQGSW-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(-c5ccc(OC)c(OC)c5)nc4c23)C1 ZINC000020358038 558357916 /nfs/dbraw/zinc/35/79/16/558357916.db2.gz GACKDCTZAUGSNU-UHFFFAOYSA-N 1 1 409.515 3.791 50 0 HHAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(-c5ccc(OC)c(OC)c5)nc4c23)C1 ZINC000020358038 558357918 /nfs/dbraw/zinc/35/79/18/558357918.db2.gz GACKDCTZAUGSNU-UHFFFAOYSA-N 1 1 409.515 3.791 50 0 HHAAMO FC(F)(F)c1cc(NC(=S)NCCC[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000020413695 558360844 /nfs/dbraw/zinc/36/08/44/558360844.db2.gz YUUCBGIVMNSQOC-UHFFFAOYSA-N 1 1 415.403 3.733 50 0 HHAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC000020452614 558366791 /nfs/dbraw/zinc/36/67/91/558366791.db2.gz JSSUDFYYXWDONC-XMMPIXPASA-N 1 1 413.993 3.878 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012298880 558369039 /nfs/dbraw/zinc/36/90/39/558369039.db2.gz HHSMNIATYWDCAV-INIZCTEOSA-N 1 1 424.932 3.936 50 0 HHAAMO CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 ZINC000012302442 558372069 /nfs/dbraw/zinc/37/20/69/558372069.db2.gz WXJZEYLYZUGOCA-IBGZPJMESA-N 1 1 412.530 3.745 50 0 HHAAMO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)[nH]n1 ZINC000012304735 558373805 /nfs/dbraw/zinc/37/38/05/558373805.db2.gz WSOPNXBYRIYTFS-UHFFFAOYSA-N 1 1 406.534 3.713 50 0 HHAAMO CCOC(=O)c1n[nH]cc1CN(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012314558 558378070 /nfs/dbraw/zinc/37/80/70/558378070.db2.gz YXAIGGAZPPXENJ-UHFFFAOYSA-N 1 1 418.969 3.626 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012317521 558380721 /nfs/dbraw/zinc/38/07/21/558380721.db2.gz JGYICNKTQKHGIJ-SFHVURJKSA-N 1 1 406.530 3.880 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012317521 558380726 /nfs/dbraw/zinc/38/07/26/558380726.db2.gz JGYICNKTQKHGIJ-SFHVURJKSA-N 1 1 406.530 3.880 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2c(C)cccc2C)C1=O ZINC000020533531 558384981 /nfs/dbraw/zinc/38/49/81/558384981.db2.gz NLQIWBDDKSQIEE-QZMYASAMSA-N 1 1 403.526 3.905 50 0 HHAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c(OC)c1 ZINC000012386707 558395526 /nfs/dbraw/zinc/39/55/26/558395526.db2.gz PWTDHFNSZJGFRR-LJQANCHMSA-N 1 1 422.569 3.980 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000012432947 558407117 /nfs/dbraw/zinc/40/71/17/558407117.db2.gz SDXUSSIYJXKPSX-FQEVSTJZSA-N 1 1 405.608 3.543 50 0 HHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)c1 ZINC000012438830 558410364 /nfs/dbraw/zinc/41/03/64/558410364.db2.gz SYOTVEJLSOREMZ-JOCHJYFZSA-N 1 1 405.922 3.880 50 0 HHAAMO Cc1cccn2c(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)c(C(=O)N3CCOCC3)nc12 ZINC000012447284 558414546 /nfs/dbraw/zinc/41/45/46/558414546.db2.gz ZTGXLYMLFUSSFA-FQEVSTJZSA-N 1 1 422.504 3.591 50 0 HHAAMO Cc1cccn2c(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)c(C(=O)N3CCOCC3)nc12 ZINC000012447284 558414547 /nfs/dbraw/zinc/41/45/47/558414547.db2.gz ZTGXLYMLFUSSFA-FQEVSTJZSA-N 1 1 422.504 3.591 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1 ZINC000020878168 558419735 /nfs/dbraw/zinc/41/97/35/558419735.db2.gz VZJSDKBTQGQFNB-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1 ZINC000020878168 558419737 /nfs/dbraw/zinc/41/97/37/558419737.db2.gz VZJSDKBTQGQFNB-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1 ZINC000020878168 558419739 /nfs/dbraw/zinc/41/97/39/558419739.db2.gz VZJSDKBTQGQFNB-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906226 558421170 /nfs/dbraw/zinc/42/11/70/558421170.db2.gz XOBPOBDLJMITKE-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906226 558421172 /nfs/dbraw/zinc/42/11/72/558421172.db2.gz XOBPOBDLJMITKE-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO Cn1cc(C[NH2+]Cc2nnc3n2CCC3)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000020910846 558422129 /nfs/dbraw/zinc/42/21/29/558422129.db2.gz IZGQCLPCVDNKNZ-UHFFFAOYSA-N 1 1 400.486 3.707 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](C)O1 ZINC000021064380 558430597 /nfs/dbraw/zinc/43/05/97/558430597.db2.gz YZJQRDPILKRYRZ-GJZGRUSLSA-N 1 1 421.488 3.556 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000021059596 558430723 /nfs/dbraw/zinc/43/07/23/558430723.db2.gz GBFJHWMAKWJNLQ-IRXDYDNUSA-N 1 1 401.576 3.665 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012718893 558456179 /nfs/dbraw/zinc/45/61/79/558456179.db2.gz NLJPQFIPVGDPOA-KRWDZBQOSA-N 1 1 414.527 3.632 50 0 HHAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1csc(-c2ccccc2)n1 ZINC000012794825 558467919 /nfs/dbraw/zinc/46/79/19/558467919.db2.gz XORXFZNBAFWBIB-UHFFFAOYSA-N 1 1 420.582 3.586 50 0 HHAAMO C[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012863631 558481641 /nfs/dbraw/zinc/48/16/41/558481641.db2.gz FSCADJPIGPELRW-UHFFFAOYSA-N 1 1 415.362 3.883 50 0 HHAAMO C[N@@H+](CCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012863631 558481643 /nfs/dbraw/zinc/48/16/43/558481643.db2.gz FSCADJPIGPELRW-UHFFFAOYSA-N 1 1 415.362 3.883 50 0 HHAAMO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012999326 558499655 /nfs/dbraw/zinc/49/96/55/558499655.db2.gz DSWNYOVWRKDXFO-HNNXBMFYSA-N 1 1 423.340 3.909 50 0 HHAAMO CN(C)c1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022931497 558524523 /nfs/dbraw/zinc/52/45/23/558524523.db2.gz HIWJVNUCCHDSRH-UHFFFAOYSA-N 1 1 408.571 3.724 50 0 HHAAMO OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@H+]1C1CCCCC1 ZINC000022932878 558525147 /nfs/dbraw/zinc/52/51/47/558525147.db2.gz QLVKWALCCPINQQ-QFIPXVFZSA-N 1 1 414.981 3.998 50 0 HHAAMO CC(C)=CC[N@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO ZINC000023360704 558552087 /nfs/dbraw/zinc/55/20/87/558552087.db2.gz JAMOXTCRXMTERV-NRFANRHFSA-N 1 1 400.954 3.632 50 0 HHAAMO CCOCc1cc(CN2CC[N@@H+](CC3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000023374488 558554035 /nfs/dbraw/zinc/55/40/35/558554035.db2.gz IUCOADGZYWEGDB-QHCPKHFHSA-N 1 1 404.595 3.681 50 0 HHAAMO Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023804754 558576219 /nfs/dbraw/zinc/57/62/19/558576219.db2.gz MDQJCFRPVPKZJL-SFHVURJKSA-N 1 1 415.559 3.521 50 0 HHAAMO COc1cccc(OCCOCC[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC000013726441 558584601 /nfs/dbraw/zinc/58/46/01/558584601.db2.gz IRAPYMMATYKGHM-UHFFFAOYSA-N 1 1 413.543 3.523 50 0 HHAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000014201870 558637180 /nfs/dbraw/zinc/63/71/80/558637180.db2.gz IDRBBJQQFUGXQV-FQEVSTJZSA-N 1 1 419.481 3.738 50 0 HHAAMO O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014900689 558678425 /nfs/dbraw/zinc/67/84/25/558678425.db2.gz SQWHEUCDPCRJNV-UHFFFAOYSA-N 1 1 415.472 3.722 50 0 HHAAMO OCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014960410 558683823 /nfs/dbraw/zinc/68/38/23/558683823.db2.gz REUJUSLOYQBROL-NRFANRHFSA-N 1 1 416.537 3.804 50 0 HHAAMO OCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014960410 558683825 /nfs/dbraw/zinc/68/38/25/558683825.db2.gz REUJUSLOYQBROL-NRFANRHFSA-N 1 1 416.537 3.804 50 0 HHAAMO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000014962723 558684493 /nfs/dbraw/zinc/68/44/93/558684493.db2.gz FTGZGQVRWSCLCU-IBGZPJMESA-N 1 1 415.987 3.579 50 0 HHAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000014962723 558684496 /nfs/dbraw/zinc/68/44/96/558684496.db2.gz FTGZGQVRWSCLCU-IBGZPJMESA-N 1 1 415.987 3.579 50 0 HHAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000014963083 558684734 /nfs/dbraw/zinc/68/47/34/558684734.db2.gz LYVQFBNDVGHBEM-OAQYLSRUSA-N 1 1 421.541 3.580 50 0 HHAAMO CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000015000426 558697574 /nfs/dbraw/zinc/69/75/74/558697574.db2.gz WWIKWSYPAUSTHD-OAQYLSRUSA-N 1 1 423.605 3.800 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028293550 558698571 /nfs/dbraw/zinc/69/85/71/558698571.db2.gz DUUABTSIADMIET-OAQYLSRUSA-N 1 1 401.595 3.527 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403200 558699927 /nfs/dbraw/zinc/69/99/27/558699927.db2.gz HYAFUYXIQGJLEC-NRFANRHFSA-N 1 1 401.595 3.527 50 0 HHAAMO COc1ccc(NC(=O)[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000028622107 558702477 /nfs/dbraw/zinc/70/24/77/558702477.db2.gz PJIAXZUNIMPEAZ-NFBKMPQASA-N 1 1 404.466 3.805 50 0 HHAAMO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000028888442 558706619 /nfs/dbraw/zinc/70/66/19/558706619.db2.gz HHJZTMZIWVBFAZ-GOSISDBHSA-N 1 1 420.582 3.954 50 0 HHAAMO Cc1ccc(C[NH2+]Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn32)o1 ZINC000015064229 558706958 /nfs/dbraw/zinc/70/69/58/558706958.db2.gz DPACQDWFZBUUTL-UHFFFAOYSA-N 1 1 408.527 3.902 50 0 HHAAMO O=C(c1ccco1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015068114 558710674 /nfs/dbraw/zinc/71/06/74/558710674.db2.gz GKLWJSCNDPEDRS-SFHVURJKSA-N 1 1 407.436 3.725 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 ZINC000015075190 558715728 /nfs/dbraw/zinc/71/57/28/558715728.db2.gz WHZHYAIEOJYVFB-OAHLLOKOSA-N 1 1 412.481 3.584 50 0 HHAAMO CCCCNC(=O)C1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000029926978 558724062 /nfs/dbraw/zinc/72/40/62/558724062.db2.gz GUUHJJVUTUACOT-UHFFFAOYSA-N 1 1 424.570 3.551 50 0 HHAAMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015372309 558736229 /nfs/dbraw/zinc/73/62/29/558736229.db2.gz OAQWZJCOBXPJGK-QFIPXVFZSA-N 1 1 424.541 3.824 50 0 HHAAMO CC[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)CC1CCN(c2ccccn2)CC1 ZINC000072305297 558760243 /nfs/dbraw/zinc/76/02/43/558760243.db2.gz LRFKZTAQNUHZJG-UHFFFAOYSA-N 1 1 413.591 3.594 50 0 HHAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000018250336 558834784 /nfs/dbraw/zinc/83/47/84/558834784.db2.gz FNTHCIWHIAELJF-FQEVSTJZSA-N 1 1 424.497 3.796 50 0 HHAAMO CC[N@H+](Cc1cccc(OCCO)c1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000055244911 558877358 /nfs/dbraw/zinc/87/73/58/558877358.db2.gz LCPNDANJCQSZLQ-QHCPKHFHSA-N 1 1 414.565 3.973 50 0 HHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C2CSCCSC2)C1 ZINC000055369457 558880379 /nfs/dbraw/zinc/88/03/79/558880379.db2.gz ZXYPIVSTGHBANN-OAQYLSRUSA-N 1 1 409.617 3.949 50 0 HHAAMO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000058328445 558920041 /nfs/dbraw/zinc/92/00/41/558920041.db2.gz DQYGSPIRJKYRBD-LJQANCHMSA-N 1 1 412.509 3.577 50 0 HHAAMO CC(C)(C)OC(=O)NCC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058440320 558927346 /nfs/dbraw/zinc/92/73/46/558927346.db2.gz RUNCWIGTTUAYQJ-UHFFFAOYSA-N 1 1 415.456 3.881 50 0 HHAAMO COc1ccc2cccc(N3CC[NH+](CCNC(=O)c4ccc(F)cc4)CC3)c2c1 ZINC000064725931 558965112 /nfs/dbraw/zinc/96/51/12/558965112.db2.gz IFMQODYDAUKKEN-UHFFFAOYSA-N 1 1 407.489 3.540 50 0 in-vitro HHAAMO COc1ccc2cc(C[N@@H+](C)C3CCS(=O)(=O)CC3)c(-c3cccs3)nc2c1 ZINC000072418186 558978111 /nfs/dbraw/zinc/97/81/11/558978111.db2.gz XWOOXRZSALSWOW-UHFFFAOYSA-N 1 1 416.568 3.981 50 0 HHAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc1OC ZINC000033068971 558980627 /nfs/dbraw/zinc/98/06/27/558980627.db2.gz MLADRGILJBAGRP-UHFFFAOYSA-N 1 1 401.532 3.740 50 0 HHAAMO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022436680 558991857 /nfs/dbraw/zinc/99/18/57/558991857.db2.gz RAGLKEVMGHGPTB-UHFFFAOYSA-N 1 1 421.463 3.879 50 0 HHAAMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1CC ZINC000097164619 558998463 /nfs/dbraw/zinc/99/84/63/558998463.db2.gz QZBDDXVJIIUWLD-CQSZACIVSA-N 1 1 405.873 3.906 50 0 HHAAMO Cc1ncn(-c2cc(N3CCN(C(=O)CCC4CCCCC4)CC3)[nH+]c(C)n2)c1C ZINC000077137505 558999556 /nfs/dbraw/zinc/99/95/56/558999556.db2.gz VGQZYDFQPQVFHA-UHFFFAOYSA-N 1 1 410.566 3.597 50 0 HHAAMO Cc1c2cc(Cl)cc(CNC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)c2[nH]c1-c1ccccc1 ZINC000077355944 559002340 /nfs/dbraw/zinc/00/23/40/559002340.db2.gz UMWQEDMFEWEYMT-IBGZPJMESA-N 1 1 407.905 3.706 50 0 HHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082096861 559037584 /nfs/dbraw/zinc/03/75/84/559037584.db2.gz WUVAGZCQZBCYTP-QFIPXVFZSA-N 1 1 410.606 3.551 50 0 HHAAMO COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000023224674 559062674 /nfs/dbraw/zinc/06/26/74/559062674.db2.gz LABZWWWMQLLZNQ-GJZGRUSLSA-N 1 1 402.516 3.640 50 0 HHAAMO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000050033534 559178456 /nfs/dbraw/zinc/17/84/56/559178456.db2.gz IJVQQXZDUWCJLA-DHIUTWEWSA-N 1 1 416.512 3.602 50 0 HHAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3CCCC[C@@H]3CC)c21 ZINC000005093308 559244174 /nfs/dbraw/zinc/24/41/74/559244174.db2.gz RLRWJSBKYYIQDT-INIZCTEOSA-N 1 1 415.534 3.875 50 0 HHAAMO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409413304 559250576 /nfs/dbraw/zinc/25/05/76/559250576.db2.gz JTLPAQMATCDEIG-YLJYHZDGSA-N 1 1 400.954 3.962 50 0 HHAAMO COCC(=O)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1OC)C(C)C ZINC000247985899 559258627 /nfs/dbraw/zinc/25/86/27/559258627.db2.gz IQMZANICZKCOLZ-GHTZIAJQSA-N 1 1 416.587 3.856 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000017305887 560707242 /nfs/dbraw/zinc/70/72/42/560707242.db2.gz JXBCUBHELJICIF-AWEZNQCLSA-N 1 1 401.417 3.500 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000017305887 560707244 /nfs/dbraw/zinc/70/72/44/560707244.db2.gz JXBCUBHELJICIF-AWEZNQCLSA-N 1 1 401.417 3.500 50 0 HHAAMO Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)on2)cc1 ZINC000017306235 560707317 /nfs/dbraw/zinc/70/73/17/560707317.db2.gz FGUSWPPMWNPQCX-KRWDZBQOSA-N 1 1 416.485 3.862 50 0 HHAAMO Cc1ccc(-c2cc(NC(=O)C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)on2)cc1 ZINC000017306235 560707318 /nfs/dbraw/zinc/70/73/18/560707318.db2.gz FGUSWPPMWNPQCX-KRWDZBQOSA-N 1 1 416.485 3.862 50 0 HHAAMO Cc1ccc(-c2cc(NC(=O)C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)on2)cc1 ZINC000017306234 560707354 /nfs/dbraw/zinc/70/73/54/560707354.db2.gz FGUSWPPMWNPQCX-QGZVFWFLSA-N 1 1 416.485 3.862 50 0 HHAAMO Cc1ccc(-c2cc(NC(=O)C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)on2)cc1 ZINC000017306234 560707355 /nfs/dbraw/zinc/70/73/55/560707355.db2.gz FGUSWPPMWNPQCX-QGZVFWFLSA-N 1 1 416.485 3.862 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Br)ccc1Cl ZINC000012994749 560789249 /nfs/dbraw/zinc/78/92/49/560789249.db2.gz AEJOSCCTNLHSGE-UHFFFAOYSA-N 1 1 423.738 3.865 50 0 HHAAMO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000106155122 560884993 /nfs/dbraw/zinc/88/49/93/560884993.db2.gz WBIAMUNDHGLPRS-NQIIRXRSSA-N 1 1 409.555 3.660 50 0 HHAAMO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000107537987 560896588 /nfs/dbraw/zinc/89/65/88/560896588.db2.gz PUNHDKQWQBPEAM-CRAIPNDOSA-N 1 1 403.573 3.723 50 0 HHAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974141 568422801 /nfs/dbraw/zinc/42/28/01/568422801.db2.gz IPIWPNFMGGZOPE-UHFFFAOYSA-N 1 1 401.894 3.777 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(I)c1 ZINC000048342040 568440529 /nfs/dbraw/zinc/44/05/29/568440529.db2.gz PKBIZQBWCZSHGQ-AWEZNQCLSA-N 1 1 400.304 3.676 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000048358421 568441225 /nfs/dbraw/zinc/44/12/25/568441225.db2.gz CVFGOPDTZIPTTI-IYBDPMFKSA-N 1 1 404.457 3.827 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000048358421 568441226 /nfs/dbraw/zinc/44/12/26/568441226.db2.gz CVFGOPDTZIPTTI-IYBDPMFKSA-N 1 1 404.457 3.827 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)c1ccco1 ZINC000049547083 568451471 /nfs/dbraw/zinc/45/14/71/568451471.db2.gz HGDPXTZHHRSZEN-AWEZNQCLSA-N 1 1 409.273 3.593 50 0 HHAAMO CCCOc1c(Cl)cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000021052216 568461067 /nfs/dbraw/zinc/46/10/67/568461067.db2.gz CLQSXGGILKTWBE-GASCZTMLSA-N 1 1 412.958 3.755 50 0 HHAAMO CCCOc1c(Cl)cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000021052216 568461069 /nfs/dbraw/zinc/46/10/69/568461069.db2.gz CLQSXGGILKTWBE-GASCZTMLSA-N 1 1 412.958 3.755 50 0 HHAAMO Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151465 568462017 /nfs/dbraw/zinc/46/20/17/568462017.db2.gz PEJNDYDLHMJXEJ-QHCPKHFHSA-N 1 1 423.944 3.973 50 0 HHAAMO Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021151465 568462019 /nfs/dbraw/zinc/46/20/19/568462019.db2.gz PEJNDYDLHMJXEJ-QHCPKHFHSA-N 1 1 423.944 3.973 50 0 HHAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012333461 568472768 /nfs/dbraw/zinc/47/27/68/568472768.db2.gz VJHRJCDHOKBPCQ-UHFFFAOYSA-N 1 1 405.970 3.738 50 0 HHAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000022932164 568500753 /nfs/dbraw/zinc/50/07/53/568500753.db2.gz HKBQTYUKZLKYIY-UHFFFAOYSA-N 1 1 420.326 3.735 50 0 HHAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1C ZINC000020192803 568593663 /nfs/dbraw/zinc/59/36/63/568593663.db2.gz RDHHWYCHRJXQGX-HXUWFJFHSA-N 1 1 410.543 3.942 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc3ccccc3n2CC)C[C@@H]1CCO ZINC000020451245 568608635 /nfs/dbraw/zinc/60/86/35/568608635.db2.gz BPIAOUMJLQKJCG-NRFANRHFSA-N 1 1 422.573 3.524 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2nc3ccccc3n2CC)C[C@@H]1CCO ZINC000020451245 568608636 /nfs/dbraw/zinc/60/86/36/568608636.db2.gz BPIAOUMJLQKJCG-NRFANRHFSA-N 1 1 422.573 3.524 50 0 HHAAMO CCOc1cc(C[N@H+]2CC[C@H](C(N)=O)C2)ccc1OCc1c(F)cccc1Cl ZINC000095453833 568615953 /nfs/dbraw/zinc/61/59/53/568615953.db2.gz DIKZDIZLNIONAE-HNNXBMFYSA-N 1 1 406.885 3.764 50 0 HHAAMO C[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000095462524 568621520 /nfs/dbraw/zinc/62/15/20/568621520.db2.gz ZQTPOMIIGLKRMX-AWEZNQCLSA-N 1 1 413.407 3.718 50 0 HHAAMO O=C(Nc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)c2ccccc2)cc1)c1ccco1 ZINC000095947344 568664704 /nfs/dbraw/zinc/66/47/04/568664704.db2.gz NRPNFMUVKVLBMM-QFIPXVFZSA-N 1 1 403.482 3.985 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000095948207 568665406 /nfs/dbraw/zinc/66/54/06/568665406.db2.gz RZERJTPZGGSCHA-KNQAVFIVSA-N 1 1 423.513 3.905 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000095948207 568665409 /nfs/dbraw/zinc/66/54/09/568665409.db2.gz RZERJTPZGGSCHA-KNQAVFIVSA-N 1 1 423.513 3.905 50 0 HHAAMO COc1ccc(CCC(=O)NC[C@@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021151499 568672335 /nfs/dbraw/zinc/67/23/35/568672335.db2.gz PQJSPLSENLMZCO-VWLOTQADSA-N 1 1 417.553 3.882 50 0 HHAAMO COc1ccc(CCC(=O)NC[C@@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000021151499 568672338 /nfs/dbraw/zinc/67/23/38/568672338.db2.gz PQJSPLSENLMZCO-VWLOTQADSA-N 1 1 417.553 3.882 50 0 HHAAMO CCOC(=O)c1c(NC(=O)CN(CC)CC)sc(C[NH+](C)C)c1-c1ccccc1 ZINC000000846843 568710578 /nfs/dbraw/zinc/71/05/78/568710578.db2.gz RDHMFNVOGMZAQC-UHFFFAOYSA-N 1 1 417.575 3.934 50 0 HHAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000229605432 568714538 /nfs/dbraw/zinc/71/45/38/568714538.db2.gz BKRAGWZUQLQYSL-MSOLQXFVSA-N 1 1 416.319 3.993 50 0 HHAAMO COc1cc(OC)cc([C@H](c2c(C)c(C)sc2NC(C)=O)N2CC[NH+](C)CC2)c1 ZINC000021671182 568737017 /nfs/dbraw/zinc/73/70/17/568737017.db2.gz WORZQQAQXBYCDO-OAQYLSRUSA-N 1 1 417.575 3.677 50 0 HHAAMO COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)c(OC)c1 ZINC000096363827 568739698 /nfs/dbraw/zinc/73/96/98/568739698.db2.gz HDLKXJZHLRBERE-UHFFFAOYSA-N 1 1 415.515 3.640 50 0 HHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460536 568768491 /nfs/dbraw/zinc/76/84/91/568768491.db2.gz SIFYLFCERPLKRX-DNVCBOLYSA-N 1 1 406.596 3.941 50 0 HHAAMO CC[C@H](C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000299754338 568782225 /nfs/dbraw/zinc/78/22/25/568782225.db2.gz BGJGYRYEEYYBGW-CVNLYIMZSA-N 1 1 411.590 3.780 50 0 HHAAMO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+]C3C4CC5CC(C4)CC3C5)nc(=O)c2c1C ZINC000057292096 568826140 /nfs/dbraw/zinc/82/61/40/568826140.db2.gz TWFCIJLHLYAKFZ-PQJKGVAHSA-N 1 1 415.559 3.945 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@H](C)O1 ZINC000029473905 568826365 /nfs/dbraw/zinc/82/63/65/568826365.db2.gz CNHMQBYECYILFS-GJZGRUSLSA-N 1 1 416.905 3.973 50 0 HHAAMO Cc1nc2c(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cnn2c(C)c1Cc1ccccc1 ZINC000003041055 568847793 /nfs/dbraw/zinc/84/77/93/568847793.db2.gz CHWUHUJTMCYAIB-GOSISDBHSA-N 1 1 419.573 3.931 50 0 HHAAMO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)c1 ZINC000012774423 568953625 /nfs/dbraw/zinc/95/36/25/568953625.db2.gz NAPRMBWEZZCDNU-IRXDYDNUSA-N 1 1 414.575 3.606 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2coc3ccccc3c2=O)[NH+]2CCCCC2)cc1 ZINC000007988221 568965600 /nfs/dbraw/zinc/96/56/00/568965600.db2.gz XLFJJLRNKJWSDE-NRFANRHFSA-N 1 1 406.482 3.759 50 0 HHAAMO O=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000015678139 568965750 /nfs/dbraw/zinc/96/57/50/568965750.db2.gz KUVYSALZNQKZHV-NNJUXLKUSA-N 1 1 419.378 3.513 50 0 biogenic HHAAMO COc1cc(OC)c(C2=CC[N@@H+]([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c(OC)c1 ZINC000012809436 568980723 /nfs/dbraw/zinc/98/07/23/568980723.db2.gz SRCOPZFXIITLGO-FGTMMUONSA-N 1 1 416.562 3.695 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@H+]([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c(OC)c1 ZINC000012809436 568980724 /nfs/dbraw/zinc/98/07/24/568980724.db2.gz SRCOPZFXIITLGO-FGTMMUONSA-N 1 1 416.562 3.695 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1C ZINC000008324096 568990721 /nfs/dbraw/zinc/99/07/21/568990721.db2.gz MRYBUACIYCVBKM-UKRRQHHQSA-N 1 1 400.475 3.501 50 0 HHAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)C1CCC(C)CC1 ZINC000008390607 568996809 /nfs/dbraw/zinc/99/68/09/568996809.db2.gz ALAMIPGORWQNQE-UHFFFAOYSA-N 1 1 406.596 3.707 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1 ZINC000104334854 569008314 /nfs/dbraw/zinc/00/83/14/569008314.db2.gz BTFJEQVQNXNDFY-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(C)c1C ZINC000104360026 569008364 /nfs/dbraw/zinc/00/83/64/569008364.db2.gz CAHYPYMKZRFOOI-JOCHJYFZSA-N 1 1 407.558 3.862 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(C)c1C ZINC000104360026 569008365 /nfs/dbraw/zinc/00/83/65/569008365.db2.gz CAHYPYMKZRFOOI-JOCHJYFZSA-N 1 1 407.558 3.862 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(C)c1C ZINC000104360026 569008366 /nfs/dbraw/zinc/00/83/66/569008366.db2.gz CAHYPYMKZRFOOI-JOCHJYFZSA-N 1 1 407.558 3.862 50 0 HHAAMO CC(C)[N@H+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1CCO ZINC000104416387 569008610 /nfs/dbraw/zinc/00/86/10/569008610.db2.gz ROBMEYMLOXIAHC-XMMPIXPASA-N 1 1 404.558 3.816 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@H]2CCO)c(C)c1C ZINC000104415315 569008741 /nfs/dbraw/zinc/00/87/41/569008741.db2.gz FTVWJTNMODSIFY-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)c(C)c1C ZINC000104415315 569008742 /nfs/dbraw/zinc/00/87/42/569008742.db2.gz FTVWJTNMODSIFY-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)c(C)c1C ZINC000104415315 569008743 /nfs/dbraw/zinc/00/87/43/569008743.db2.gz FTVWJTNMODSIFY-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@H]2CCO)c(C)c1C ZINC000107100456 569009216 /nfs/dbraw/zinc/00/92/16/569009216.db2.gz WNDPZLUVNYFMAG-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)c(C)c1C ZINC000107100456 569009217 /nfs/dbraw/zinc/00/92/17/569009217.db2.gz WNDPZLUVNYFMAG-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cc1 ZINC000085877266 569009719 /nfs/dbraw/zinc/00/97/19/569009719.db2.gz VINNBNWJBSYDOF-NZQKXSOJSA-N 1 1 421.541 3.942 50 0 biogenic HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983512 569009786 /nfs/dbraw/zinc/00/97/86/569009786.db2.gz VAZRBLAKDVLURD-FGZHOGPDSA-N 1 1 400.494 3.607 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868569 569017367 /nfs/dbraw/zinc/01/73/67/569017367.db2.gz IZNQHZPZHPTPKV-IBGZPJMESA-N 1 1 424.589 3.791 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012911827 569021729 /nfs/dbraw/zinc/02/17/29/569021729.db2.gz QGYINMRIQPPGRA-CQSZACIVSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012911827 569021730 /nfs/dbraw/zinc/02/17/30/569021730.db2.gz QGYINMRIQPPGRA-CQSZACIVSA-N 1 1 403.408 3.918 50 0 HHAAMO CC(C)c1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc(N2CCC[C@@H](c3cc[nH]n3)C2)[nH+]1 ZINC000221833715 569039792 /nfs/dbraw/zinc/03/97/92/569039792.db2.gz ICYDSYXRDYWDSM-QZTJIDSGSA-N 1 1 420.565 3.814 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000229577115 569040643 /nfs/dbraw/zinc/04/06/43/569040643.db2.gz KWNJDAAJXUHYPI-HSALFYBXSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000229577115 569040644 /nfs/dbraw/zinc/04/06/44/569040644.db2.gz KWNJDAAJXUHYPI-HSALFYBXSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000229577115 569040645 /nfs/dbraw/zinc/04/06/45/569040645.db2.gz KWNJDAAJXUHYPI-HSALFYBXSA-N 1 1 411.512 3.850 50 0 HHAAMO Cc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422296 569048216 /nfs/dbraw/zinc/04/82/16/569048216.db2.gz AZAKOQMSJUDLEG-QGZVFWFLSA-N 1 1 420.479 3.798 50 0 HHAAMO Cc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422296 569048217 /nfs/dbraw/zinc/04/82/17/569048217.db2.gz AZAKOQMSJUDLEG-QGZVFWFLSA-N 1 1 420.479 3.798 50 0 HHAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000248233904 569051305 /nfs/dbraw/zinc/05/13/05/569051305.db2.gz BIROQCBOOCIHGW-WDJPJFJCSA-N 1 1 416.562 3.780 50 0 biogenic HHAAMO CCCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000248233904 569051306 /nfs/dbraw/zinc/05/13/06/569051306.db2.gz BIROQCBOOCIHGW-WDJPJFJCSA-N 1 1 416.562 3.780 50 0 biogenic HHAAMO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[N@H+]5CCC[C@H]5C4)cc3)sc2c1 ZINC000239174418 569054021 /nfs/dbraw/zinc/05/40/21/569054021.db2.gz PZSUYMXJTDFDJP-IBGZPJMESA-N 1 1 406.555 3.990 50 0 HHAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000036095286 569089900 /nfs/dbraw/zinc/08/99/00/569089900.db2.gz PAWORNMZZRBLRK-UGKGYDQZSA-N 1 1 405.922 3.770 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)c1 ZINC000036098451 569090920 /nfs/dbraw/zinc/09/09/20/569090920.db2.gz OYEFUSAFAUPDJL-NRFANRHFSA-N 1 1 421.493 3.866 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103468 569092066 /nfs/dbraw/zinc/09/20/66/569092066.db2.gz KDSMPRFMIJRRFU-QGZVFWFLSA-N 1 1 401.484 3.650 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145878 569098442 /nfs/dbraw/zinc/09/84/42/569098442.db2.gz AIYOBMFCLXFDOX-RTWAWAEBSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145878 569098445 /nfs/dbraw/zinc/09/84/45/569098445.db2.gz AIYOBMFCLXFDOX-RTWAWAEBSA-N 1 1 414.521 3.997 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145973 569098617 /nfs/dbraw/zinc/09/86/17/569098617.db2.gz QTKJEPAJRPVJCC-RTWAWAEBSA-N 1 1 402.922 3.733 50 0 HHAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000064817989 569101278 /nfs/dbraw/zinc/10/12/78/569101278.db2.gz JQRLHOPRQBOOTB-UHFFFAOYSA-N 1 1 419.569 3.793 50 0 HHAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036307450 569129545 /nfs/dbraw/zinc/12/95/45/569129545.db2.gz NLVJXOUCAHRTIP-KRWDZBQOSA-N 1 1 413.493 3.848 50 0 HHAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344639 569142611 /nfs/dbraw/zinc/14/26/11/569142611.db2.gz DWEDRRUQPKGJBQ-XMMPIXPASA-N 1 1 404.558 3.537 50 0 HHAAMO Cc1ccc2c(c1)N(CC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C(=O)c1cccnc1O2 ZINC000006878077 569165009 /nfs/dbraw/zinc/16/50/09/569165009.db2.gz LTCCSDIZLAMOOM-GOSISDBHSA-N 1 1 422.529 3.523 50 0 HHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccccc2Cl)C1 ZINC000036394276 569168035 /nfs/dbraw/zinc/16/80/35/569168035.db2.gz YCUDOWFPEIQMIP-KRWDZBQOSA-N 1 1 413.949 3.618 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000065136769 569183500 /nfs/dbraw/zinc/18/35/00/569183500.db2.gz INFIXQIOBXSUDV-MOPGFXCFSA-N 1 1 418.557 3.840 50 0 HHAAMO O=C(c1cccc(Cl)c1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200136 569193736 /nfs/dbraw/zinc/19/37/36/569193736.db2.gz LIFPCJUUCMSMSR-UHFFFAOYSA-N 1 1 404.967 3.745 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065512513 569233235 /nfs/dbraw/zinc/23/32/35/569233235.db2.gz LRKYTJGKSXCYDT-VQTJNVASSA-N 1 1 413.512 3.820 50 0 HHAAMO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000252443955 569285798 /nfs/dbraw/zinc/28/57/98/569285798.db2.gz DIONLWNYBVIUDQ-XUZZJYLKSA-N 1 1 422.525 3.585 50 0 HHAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000252443955 569285800 /nfs/dbraw/zinc/28/58/00/569285800.db2.gz DIONLWNYBVIUDQ-XUZZJYLKSA-N 1 1 422.525 3.585 50 0 HHAAMO O=C1Nc2cc(Br)ccc2[C@@H]1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000252513447 569292172 /nfs/dbraw/zinc/29/21/72/569292172.db2.gz ZZWMEUORAUBYTE-WBVHZDCISA-N 1 1 405.292 3.759 50 0 HHAAMO CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654879 569295417 /nfs/dbraw/zinc/29/54/17/569295417.db2.gz WJBOWKAXLZCAJA-AUSIDOKSSA-N 1 1 408.542 3.756 50 0 HHAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3C[C@H](C)C[C@H](C)C3)c21 ZINC000002260084 569324978 /nfs/dbraw/zinc/32/49/78/569324978.db2.gz QULKUUWSBDULNO-GASCZTMLSA-N 1 1 415.534 3.588 50 0 HHAAMO COc1ccccc1C1(F)CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000253426526 569368319 /nfs/dbraw/zinc/36/83/19/569368319.db2.gz HIEVBUFBZFNTCN-LVCYWYKZSA-N 1 1 406.542 3.616 50 0 HHAAMO COc1ccccc1C1(F)CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000253426526 569368320 /nfs/dbraw/zinc/36/83/20/569368320.db2.gz HIEVBUFBZFNTCN-LVCYWYKZSA-N 1 1 406.542 3.616 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002308448 569372659 /nfs/dbraw/zinc/37/26/59/569372659.db2.gz UIJTUYHOCBTSAB-OAHLLOKOSA-N 1 1 421.497 3.739 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002308448 569372660 /nfs/dbraw/zinc/37/26/60/569372660.db2.gz UIJTUYHOCBTSAB-OAHLLOKOSA-N 1 1 421.497 3.739 50 0 HHAAMO OCC[C@@H]1CCCC[N@H+]1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013063639 569408477 /nfs/dbraw/zinc/40/84/77/569408477.db2.gz DZYHFIDFXUNEFW-FCHUYYIVSA-N 1 1 405.485 3.669 50 0 HHAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3nc(C)sc3Br)CC2)cc1 ZINC000328592670 569415418 /nfs/dbraw/zinc/41/54/18/569415418.db2.gz ZCFSDFSYKSFCKD-UHFFFAOYSA-N 1 1 424.364 3.571 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3nc(C)sc3Br)CC2)cc1 ZINC000328592670 569415420 /nfs/dbraw/zinc/41/54/20/569415420.db2.gz ZCFSDFSYKSFCKD-UHFFFAOYSA-N 1 1 424.364 3.571 50 0 HHAAMO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000078716641 569419865 /nfs/dbraw/zinc/41/98/65/569419865.db2.gz WCJZBILMZSBRCV-SFHVURJKSA-N 1 1 401.576 3.822 50 0 HHAAMO C[C@H](c1ccc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1)[NH+]1CCOCC1 ZINC000079095930 569427195 /nfs/dbraw/zinc/42/71/95/569427195.db2.gz IJVNIYYPSMEIAS-QGZVFWFLSA-N 1 1 417.550 3.856 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc3ccccc3n2CC)C[C@H]1CCO ZINC000039379753 571131689 /nfs/dbraw/zinc/13/16/89/571131689.db2.gz BPIAOUMJLQKJCG-OAQYLSRUSA-N 1 1 422.573 3.524 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2nc3ccccc3n2CC)C[C@H]1CCO ZINC000039379753 571131692 /nfs/dbraw/zinc/13/16/92/571131692.db2.gz BPIAOUMJLQKJCG-OAQYLSRUSA-N 1 1 422.573 3.524 50 0 HHAAMO C[C@H]([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000040017889 571139160 /nfs/dbraw/zinc/13/91/60/571139160.db2.gz RTYRTOXHFCYUNW-LBPRGKRZSA-N 1 1 412.292 3.692 50 0 HHAAMO COc1cccc(CNC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000008912266 571148400 /nfs/dbraw/zinc/14/84/00/571148400.db2.gz NWUDMMCMPRDTPT-UHFFFAOYSA-N 1 1 410.543 3.535 50 0 HHAAMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+](Cc3cccs3)C3CC3)c2c1 ZINC000040071353 571152043 /nfs/dbraw/zinc/15/20/43/571152043.db2.gz DJWFNHWIQXRSBF-UHFFFAOYSA-N 1 1 423.585 3.898 50 0 HHAAMO CN(C)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](Cc3cccs3)C3CC3)c2c1 ZINC000040071353 571152044 /nfs/dbraw/zinc/15/20/44/571152044.db2.gz DJWFNHWIQXRSBF-UHFFFAOYSA-N 1 1 423.585 3.898 50 0 HHAAMO CC(C)N(C[C@@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1)C(=O)OC(C)(C)C ZINC000040152865 571200603 /nfs/dbraw/zinc/20/06/03/571200603.db2.gz OHYOJIFDNPDJRO-QGZVFWFLSA-N 1 1 409.596 3.722 50 0 HHAAMO CC(C)N(C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1)C(=O)OC(C)(C)C ZINC000040152865 571200605 /nfs/dbraw/zinc/20/06/05/571200605.db2.gz OHYOJIFDNPDJRO-QGZVFWFLSA-N 1 1 409.596 3.722 50 0 HHAAMO CCCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCC[NH+]2CCOCC2)CO1 ZINC000009183816 571234563 /nfs/dbraw/zinc/23/45/63/571234563.db2.gz BSYXLAUWRKQIJS-UHFFFAOYSA-N 1 1 420.937 3.663 50 0 HHAAMO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccc2)C3)c1C ZINC000069848260 571247025 /nfs/dbraw/zinc/24/70/25/571247025.db2.gz KEIISDYZZYOWGU-KRWDZBQOSA-N 1 1 403.530 3.662 50 0 HHAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011818877 962197999 /nfs/dbraw/zinc/19/79/99/962197999.db2.gz SVWSPRCQGXZVBH-GOSISDBHSA-N 1 1 412.925 3.570 50 0 HHAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 ZINC000011813123 962198158 /nfs/dbraw/zinc/19/81/58/962198158.db2.gz NHLLJAFMIVHTPO-HSZRJFAPSA-N 1 1 417.557 3.520 50 0 HHAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3CCCn3cccn3)cc2)n1 ZINC000011838298 962200935 /nfs/dbraw/zinc/20/09/35/962200935.db2.gz OMJHYCVNKAQONC-JOCHJYFZSA-N 1 1 406.534 3.569 50 0 HHAAMO CC(C)C[N@H+]1CC[C@@H](CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000011874651 962205100 /nfs/dbraw/zinc/20/51/00/962205100.db2.gz IJBYVXJTAFJFMH-SFHVURJKSA-N 1 1 422.529 3.852 50 0 HHAAMO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000012072555 962233137 /nfs/dbraw/zinc/23/31/37/962233137.db2.gz JMUUVSQBKAAQEE-NRFANRHFSA-N 1 1 413.606 3.774 50 0 HHAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000012123446 962243724 /nfs/dbraw/zinc/24/37/24/962243724.db2.gz HPJJZRLNQVABJH-IBGZPJMESA-N 1 1 411.575 3.774 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2sc(C(=O)NC3CCCCC3)c(C)c21 ZINC000012135687 962244707 /nfs/dbraw/zinc/24/47/07/962244707.db2.gz FHUSVZJYRQFBRN-MRXNPFEDSA-N 1 1 401.580 3.958 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012314583 962268310 /nfs/dbraw/zinc/26/83/10/962268310.db2.gz WXMFNKAHJCCSQN-DEOSSOPVSA-N 1 1 415.505 3.585 50 0 HHAAMO COCc1ccc(CN2CCOc3ccc(C[N@@H+]4CCC[C@@H](COC)C4)cc3C2)o1 ZINC000012454054 962282148 /nfs/dbraw/zinc/28/21/48/962282148.db2.gz PTZCBTQBEPOFFK-HXUWFJFHSA-N 1 1 414.546 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O=S(=O)(NC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1cccs1 ZINC000009459954 132340095 /nfs/dbraw/zinc/34/00/95/132340095.db2.gz OCBIIEFVIFPNAM-UHFFFAOYSA-N 1 1 407.948 3.897 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(C/C=C/c3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000036385775 520971368 /nfs/dbraw/zinc/97/13/68/520971368.db2.gz MBXADFLSFSJJOZ-NVIZVJJSSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccc(CN2CC[N@H+](C/C=C/c3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000036385775 520971381 /nfs/dbraw/zinc/97/13/81/520971381.db2.gz MBXADFLSFSJJOZ-NVIZVJJSSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](C/C=C/c3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000036385775 520971387 /nfs/dbraw/zinc/97/13/87/520971387.db2.gz MBXADFLSFSJJOZ-NVIZVJJSSA-N 1 1 410.558 3.676 50 0 HHAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959606 522528728 /nfs/dbraw/zinc/52/87/28/522528728.db2.gz ATYAXPDPKWMATM-IBGZPJMESA-N 1 1 424.570 3.824 50 0 HHAAMO C[N@@H+]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)[C@@H](c2ccccc2)C1 ZINC000032754697 523874571 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3.723 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](CCCn4cccn4)C3)CC2)c1 ZINC000020542365 527685734 /nfs/dbraw/zinc/68/57/34/527685734.db2.gz JWLKDDYQFIWICX-OAQYLSRUSA-N 1 1 421.511 3.579 50 0 HHAAMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1cc2ccccc2o1 ZINC000009596596 557129562 /nfs/dbraw/zinc/12/95/62/557129562.db2.gz HNVNRWFNQPOQLF-SFHVURJKSA-N 1 1 411.546 3.725 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000001459411 557268168 /nfs/dbraw/zinc/26/81/68/557268168.db2.gz IHOOVROPORGOCH-LJQANCHMSA-N 1 1 408.889 3.728 50 0 HHAAMO O=C(NCc1cccnc1)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000034684422 557387309 /nfs/dbraw/zinc/38/73/09/557387309.db2.gz LSOSSNDEXHXNGG-UHFFFAOYSA-N 1 1 420.944 3.987 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740525 557444152 /nfs/dbraw/zinc/44/41/52/557444152.db2.gz RPICABBINFTRDJ-NFBKMPQASA-N 1 1 415.553 3.511 50 0 HHAAMO Cc1nc(CSc2ccc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2)cs1 ZINC000022694138 557782746 /nfs/dbraw/zinc/78/27/46/557782746.db2.gz SZHKYRHOWDBNMO-IBGZPJMESA-N 1 1 419.616 3.830 50 0 HHAAMO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009015880 557819701 /nfs/dbraw/zinc/81/97/01/557819701.db2.gz BMVRSLZBPOIYOT-HXUWFJFHSA-N 1 1 423.469 3.892 50 0 HHAAMO COc1cc(Br)c([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000019731574 558259607 /nfs/dbraw/zinc/25/96/07/558259607.db2.gz UPDZXQZVUVQEOV-LJQANCHMSA-N 1 1 408.292 3.719 50 0 HHAAMO OCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000011698870 558270281 /nfs/dbraw/zinc/27/02/81/558270281.db2.gz HUPLKWNOORHJSY-SANMLTNESA-N 1 1 408.586 3.978 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000011713218 558271410 /nfs/dbraw/zinc/27/14/10/558271410.db2.gz OXHHSAFIKQUMSV-QGZVFWFLSA-N 1 1 415.534 3.748 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794688 558284027 /nfs/dbraw/zinc/28/40/27/558284027.db2.gz FXCBDRDNWHMBSG-QHCPKHFHSA-N 1 1 407.558 3.684 50 0 HHAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000011844654 558289242 /nfs/dbraw/zinc/28/92/42/558289242.db2.gz MULCUDBIOJSHQU-ZDUSSCGKSA-N 1 1 405.882 3.521 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@H+]1C1CCCCC1 ZINC000019836923 558293008 /nfs/dbraw/zinc/29/30/08/558293008.db2.gz QLVKWALCCPINQQ-JOCHJYFZSA-N 1 1 414.981 3.998 50 0 HHAAMO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011910977 558296887 /nfs/dbraw/zinc/29/68/87/558296887.db2.gz YHOONRXVGGIWAB-GOSISDBHSA-N 1 1 415.541 3.591 50 0 HHAAMO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019867598 558299354 /nfs/dbraw/zinc/29/93/54/558299354.db2.gz CYPNYGZHBRYJOW-APNVUFTPSA-N 1 1 416.581 3.932 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000011948165 558302437 /nfs/dbraw/zinc/30/24/37/558302437.db2.gz IKLPMBQMSIWNOA-VWLOTQADSA-N 1 1 408.590 3.793 50 0 HHAAMO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011997360 558307194 /nfs/dbraw/zinc/30/71/94/558307194.db2.gz PZOHRHDNLPUCSI-HNNXBMFYSA-N 1 1 418.896 3.873 50 0 HHAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCNC(C)=O)c(C)o2)c(OC)c1 ZINC000011999711 558307796 /nfs/dbraw/zinc/30/77/96/558307796.db2.gz RHXNKIKJESRTCL-KRWDZBQOSA-N 1 1 401.507 3.548 50 0 HHAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCNC(C)=O)c(C)o2)c(OC)c1 ZINC000011999710 558307824 /nfs/dbraw/zinc/30/78/24/558307824.db2.gz RHXNKIKJESRTCL-QGZVFWFLSA-N 1 1 401.507 3.548 50 0 HHAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012024631 558309959 /nfs/dbraw/zinc/30/99/59/558309959.db2.gz GYFHNYOPLYJYQB-MRXNPFEDSA-N 1 1 406.933 3.830 50 0 HHAAMO COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)ccc1O ZINC000012056128 558315939 /nfs/dbraw/zinc/31/59/39/558315939.db2.gz MPLJXJCXOQOECT-XLOVMUMPSA-N 1 1 418.537 3.988 50 0 HHAAMO O=C1CC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccc(F)cc1 ZINC000012080151 558320801 /nfs/dbraw/zinc/32/08/01/558320801.db2.gz JOOAOGMRDXBMHM-UHFFFAOYSA-N 1 1 412.896 3.899 50 0 HHAAMO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000012091541 558324152 /nfs/dbraw/zinc/32/41/52/558324152.db2.gz QADHOKXPHAWPEF-NRFANRHFSA-N 1 1 400.563 3.666 50 0 HHAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109981 558335204 /nfs/dbraw/zinc/33/52/04/558335204.db2.gz KYLZADTZPJMZPS-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(OC)c(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109981 558335208 /nfs/dbraw/zinc/33/52/08/558335208.db2.gz KYLZADTZPJMZPS-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO Cc1c(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020166095 558342818 /nfs/dbraw/zinc/34/28/18/558342818.db2.gz NSFZYIILAWDYSK-XMMPIXPASA-N 1 1 418.585 3.623 50 0 HHAAMO COc1cc(CN2CC[N@@H+](Cc3cccc4ccccc43)C[C@@H]2CCO)cc(OC)c1 ZINC000020210024 558347527 /nfs/dbraw/zinc/34/75/27/558347527.db2.gz ZBLTUBSRCCPCIJ-QHCPKHFHSA-N 1 1 420.553 3.926 50 0 HHAAMO COC[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000012204299 558352300 /nfs/dbraw/zinc/35/23/00/558352300.db2.gz RRRHKABADCYNNH-KRWDZBQOSA-N 1 1 404.580 3.661 50 0 HHAAMO COC[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000012204299 558352303 /nfs/dbraw/zinc/35/23/03/558352303.db2.gz RRRHKABADCYNNH-KRWDZBQOSA-N 1 1 404.580 3.661 50 0 HHAAMO OCc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386103 558358716 /nfs/dbraw/zinc/35/87/16/558358716.db2.gz VKYYEWBBFFOSJA-IBGZPJMESA-N 1 1 423.479 3.577 50 0 HHAAMO OCc1ccc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386103 558358718 /nfs/dbraw/zinc/35/87/18/558358718.db2.gz VKYYEWBBFFOSJA-IBGZPJMESA-N 1 1 423.479 3.577 50 0 HHAAMO CCOc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022928341 558363860 /nfs/dbraw/zinc/36/38/60/558363860.db2.gz DOMCOOGTMDHXLE-XMSQKQJNSA-N 1 1 412.603 3.749 50 0 HHAAMO COC(=O)c1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]32)c1 ZINC000012278948 558364737 /nfs/dbraw/zinc/36/47/37/558364737.db2.gz UFNUPPVPLMRJDO-PKTZIBPZSA-N 1 1 406.526 3.642 50 0 HHAAMO O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317241 558380396 /nfs/dbraw/zinc/38/03/96/558380396.db2.gz GCLQEYLVXUWEGL-GOSISDBHSA-N 1 1 400.954 3.655 50 0 HHAAMO O=C(CCc1[nH]nc2c1CCCC2)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317241 558380398 /nfs/dbraw/zinc/38/03/98/558380398.db2.gz GCLQEYLVXUWEGL-GOSISDBHSA-N 1 1 400.954 3.655 50 0 HHAAMO CCn1ccnc1CN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012317225 558380478 /nfs/dbraw/zinc/38/04/78/558380478.db2.gz FUVAZCXFLTZYNF-QFIPXVFZSA-N 1 1 414.594 3.539 50 0 HHAAMO Cc1ccc(C)c(C[N@@H+]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c1 ZINC000012328304 558383484 /nfs/dbraw/zinc/38/34/84/558383484.db2.gz RDSCNJWSZAUWLI-UHFFFAOYSA-N 1 1 400.906 3.920 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012431479 558406010 /nfs/dbraw/zinc/40/60/10/558406010.db2.gz LVKGYVDWMXXOCP-FQEVSTJZSA-N 1 1 400.482 3.794 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012431479 558406012 /nfs/dbraw/zinc/40/60/12/558406012.db2.gz LVKGYVDWMXXOCP-FQEVSTJZSA-N 1 1 400.482 3.794 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000020821170 558416729 /nfs/dbraw/zinc/41/67/29/558416729.db2.gz MLLKSGHPZNWZPF-LJQANCHMSA-N 1 1 413.537 3.923 50 0 HHAAMO CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1C ZINC000012458194 558418280 /nfs/dbraw/zinc/41/82/80/558418280.db2.gz QFCKPRYZSNQQJG-HXUWFJFHSA-N 1 1 411.546 3.635 50 0 HHAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020906383 558421210 /nfs/dbraw/zinc/42/12/10/558421210.db2.gz UYVDKTJVAJMTOE-JOCHJYFZSA-N 1 1 403.530 3.956 50 0 HHAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000012573351 558430006 /nfs/dbraw/zinc/43/00/06/558430006.db2.gz AYPSIECBRDGFMD-HNNXBMFYSA-N 1 1 420.529 3.785 50 0 HHAAMO CSc1ncc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000012573351 558430010 /nfs/dbraw/zinc/43/00/10/558430010.db2.gz AYPSIECBRDGFMD-HNNXBMFYSA-N 1 1 420.529 3.785 50 0 HHAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)o1 ZINC000021659800 558444856 /nfs/dbraw/zinc/44/48/56/558444856.db2.gz VKDLEVUXNFLJOD-SFHVURJKSA-N 1 1 423.469 3.581 50 0 HHAAMO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)n2)cc1 ZINC000012702061 558447974 /nfs/dbraw/zinc/44/79/74/558447974.db2.gz RBBPOUPXKMMYKU-FQEVSTJZSA-N 1 1 407.470 3.704 50 0 HHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)n2)cc1 ZINC000012702061 558447977 /nfs/dbraw/zinc/44/79/77/558447977.db2.gz RBBPOUPXKMMYKU-FQEVSTJZSA-N 1 1 407.470 3.704 50 0 HHAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793940 558449227 /nfs/dbraw/zinc/44/92/27/558449227.db2.gz ZQCDKBAGNXYSPP-UHFFFAOYSA-N 1 1 405.477 3.939 50 0 HHAAMO COC(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000012708588 558451160 /nfs/dbraw/zinc/45/11/60/558451160.db2.gz PJWCSHKOADDQGJ-FQEVSTJZSA-N 1 1 424.541 3.509 50 0 HHAAMO Cc1ccc(-c2nc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cs2)cc1 ZINC000021936178 558456133 /nfs/dbraw/zinc/45/61/33/558456133.db2.gz OUWGFSTWIIUGRJ-UHFFFAOYSA-N 1 1 407.539 3.881 50 0 HHAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000012803678 558472735 /nfs/dbraw/zinc/47/27/35/558472735.db2.gz OWBRUIJSXIBQII-OAHLLOKOSA-N 1 1 423.916 3.919 50 0 HHAAMO O=S(=O)(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)c1cccs1 ZINC000012998531 558499411 /nfs/dbraw/zinc/49/94/11/558499411.db2.gz LFONONVMOXOVIS-UHFFFAOYSA-N 1 1 404.479 3.710 50 0 HHAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752365 558507580 /nfs/dbraw/zinc/50/75/80/558507580.db2.gz CAHOEALTGHOKFP-UHFFFAOYSA-N 1 1 409.559 3.571 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(F)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022772775 558509128 /nfs/dbraw/zinc/50/91/28/558509128.db2.gz XBVDBSZCNWDHSM-MRXNPFEDSA-N 1 1 405.901 3.503 50 0 HHAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3-c3ccco3)C[C@@H]2CCO)CC1 ZINC000022913333 558520360 /nfs/dbraw/zinc/52/03/60/558520360.db2.gz KYEAKSSMVVWSFW-QHCPKHFHSA-N 1 1 411.590 3.688 50 0 HHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000023153239 558539159 /nfs/dbraw/zinc/53/91/59/558539159.db2.gz UNEBJTIMZAWRJQ-KRWDZBQOSA-N 1 1 403.573 3.842 50 0 HHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000023153239 558539164 /nfs/dbraw/zinc/53/91/64/558539164.db2.gz UNEBJTIMZAWRJQ-KRWDZBQOSA-N 1 1 403.573 3.842 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361235 558552631 /nfs/dbraw/zinc/55/26/31/558552631.db2.gz YGTIVCXUPNNMTL-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361235 558552632 /nfs/dbraw/zinc/55/26/32/558552632.db2.gz YGTIVCXUPNNMTL-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000023389293 558556483 /nfs/dbraw/zinc/55/64/83/558556483.db2.gz ZEXDNUBORNYOOO-MBSDFSHPSA-N 1 1 416.949 3.803 50 0 HHAAMO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000023505555 558560134 /nfs/dbraw/zinc/56/01/34/558560134.db2.gz XOBGPSQLSVWLLV-QHCPKHFHSA-N 1 1 419.569 3.588 50 0 HHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000023787937 558575915 /nfs/dbraw/zinc/57/59/15/558575915.db2.gz KEVFAUKNMIZSRK-UHFFFAOYSA-N 1 1 424.932 3.975 50 0 HHAAMO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000014017774 558613926 /nfs/dbraw/zinc/61/39/26/558613926.db2.gz AVAIHQIGIVJPEK-SFHVURJKSA-N 1 1 418.541 3.688 50 0 HHAAMO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000014017771 558613963 /nfs/dbraw/zinc/61/39/63/558613963.db2.gz AVAIHQIGIVJPEK-GOSISDBHSA-N 1 1 418.541 3.688 50 0 HHAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1O ZINC000004525616 558653170 /nfs/dbraw/zinc/65/31/70/558653170.db2.gz PUAMEWTWECUPOF-NRFANRHFSA-N 1 1 421.522 3.875 50 0 HHAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1O ZINC000004525616 558653171 /nfs/dbraw/zinc/65/31/71/558653171.db2.gz PUAMEWTWECUPOF-NRFANRHFSA-N 1 1 421.522 3.875 50 0 HHAAMO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014536163 558658232 /nfs/dbraw/zinc/65/82/32/558658232.db2.gz DVMZLFMHBYPJKW-OAQYLSRUSA-N 1 1 404.558 3.786 50 0 HHAAMO CCOc1cc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)nn1-c1ccccc1 ZINC000072264693 558664139 /nfs/dbraw/zinc/66/41/39/558664139.db2.gz ODAIMBRRRZJKBG-UHFFFAOYSA-N 1 1 404.514 3.537 50 0 HHAAMO O=C1NC2(CCCCC2)C(=O)N1C[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000027181575 558670671 /nfs/dbraw/zinc/67/06/71/558670671.db2.gz IENCXNCIRNVWQE-UHFFFAOYSA-N 1 1 405.542 3.986 50 0 HHAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000014953532 558681747 /nfs/dbraw/zinc/68/17/47/558681747.db2.gz YRHMMHDZALZIJI-QPGLYAHGSA-N 1 1 424.541 3.868 50 0 HHAAMO Cc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCOCC2)cc1 ZINC000014957658 558682985 /nfs/dbraw/zinc/68/29/85/558682985.db2.gz IMOXVMLTASIDCI-UKILVPOCSA-N 1 1 421.585 3.937 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 ZINC000014972322 558687815 /nfs/dbraw/zinc/68/78/15/558687815.db2.gz DHCIPRKTRHLGMD-HXUWFJFHSA-N 1 1 408.542 3.925 50 0 HHAAMO O=C(C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)N1CCCc2ccccc21 ZINC000030955511 558747160 /nfs/dbraw/zinc/74/71/60/558747160.db2.gz FDGNNBZEQLQRTL-UHFFFAOYSA-N 1 1 402.498 3.928 50 0 HHAAMO Cc1ccccc1-c1ncc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)cn1 ZINC000039364973 558820429 /nfs/dbraw/zinc/82/04/29/558820429.db2.gz MEMKUVHSMBDFLM-HSZRJFAPSA-N 1 1 402.542 3.521 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018190637 558832906 /nfs/dbraw/zinc/83/29/06/558832906.db2.gz AWFJIZUVENTZOL-GOSISDBHSA-N 1 1 409.486 3.947 50 0 HHAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000019222362 558852179 /nfs/dbraw/zinc/85/21/79/558852179.db2.gz MYTKPIAPOTZWIR-QFIPXVFZSA-N 1 1 410.949 3.799 50 0 HHAAMO COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000055133536 558873891 /nfs/dbraw/zinc/87/38/91/558873891.db2.gz UAKMNSBLOGPROT-UHFFFAOYSA-N 1 1 403.954 3.801 50 0 HHAAMO COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000055133536 558873893 /nfs/dbraw/zinc/87/38/93/558873893.db2.gz UAKMNSBLOGPROT-UHFFFAOYSA-N 1 1 403.954 3.801 50 0 HHAAMO CCCO[C@@H]1CCC[N@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000055182568 558874974 /nfs/dbraw/zinc/87/49/74/558874974.db2.gz GYLHHQNXFHSQAH-OAQYLSRUSA-N 1 1 420.557 3.998 50 0 HHAAMO CCCO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000055182568 558874976 /nfs/dbraw/zinc/87/49/76/558874976.db2.gz GYLHHQNXFHSQAH-OAQYLSRUSA-N 1 1 420.557 3.998 50 0 HHAAMO c1cnn(-c2cccc(C[N@H+]3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307914 558878820 /nfs/dbraw/zinc/87/88/20/558878820.db2.gz CWZXMHRGETYTKU-VWLOTQADSA-N 1 1 401.558 3.659 50 0 HHAAMO c1cnn(-c2cccc(CN3CCC[C@H]([NH+]4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307914 558878822 /nfs/dbraw/zinc/87/88/22/558878822.db2.gz CWZXMHRGETYTKU-VWLOTQADSA-N 1 1 401.558 3.659 50 0 HHAAMO CC[C@@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 ZINC000055343257 558879644 /nfs/dbraw/zinc/87/96/44/558879644.db2.gz BHTFDWAMVUJYQX-HXUWFJFHSA-N 1 1 407.514 3.666 50 0 HHAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000055343034 558879704 /nfs/dbraw/zinc/87/97/04/558879704.db2.gz NPNQJMNCKHHCEE-UHFFFAOYSA-N 1 1 418.476 3.692 50 0 HHAAMO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000058100781 558898830 /nfs/dbraw/zinc/89/88/30/558898830.db2.gz WRYRKKNRBOSERM-UHFFFAOYSA-N 1 1 415.541 3.524 50 0 HHAAMO O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058138004 558901315 /nfs/dbraw/zinc/90/13/15/558901315.db2.gz WEWNGWVUORVGAA-NRFANRHFSA-N 1 1 422.504 3.979 50 0 HHAAMO CCC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058282168 558916471 /nfs/dbraw/zinc/91/64/71/558916471.db2.gz SZRAEKPEZZEFRO-QHCPKHFHSA-N 1 1 404.558 3.880 50 0 HHAAMO CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058282168 558916472 /nfs/dbraw/zinc/91/64/72/558916472.db2.gz SZRAEKPEZZEFRO-QHCPKHFHSA-N 1 1 404.558 3.880 50 0 HHAAMO CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058282168 558916474 /nfs/dbraw/zinc/91/64/74/558916474.db2.gz SZRAEKPEZZEFRO-QHCPKHFHSA-N 1 1 404.558 3.880 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000004712769 558918003 /nfs/dbraw/zinc/91/80/03/558918003.db2.gz SLSNKLFXMZPEMH-SXZORUHJSA-N 1 1 407.539 3.986 50 0 HHAAMO CCC(CC)[C@H](CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[NH+]1CCCC1 ZINC000058394068 558923993 /nfs/dbraw/zinc/92/39/93/558923993.db2.gz GCUIKPMWQAFNBP-QHCPKHFHSA-N 1 1 415.626 3.769 50 0 HHAAMO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264387 558984387 /nfs/dbraw/zinc/98/43/87/558984387.db2.gz BKOBBYMKNYHCKH-SIKLNZKXSA-N 1 1 414.594 3.588 50 0 HHAAMO CCC1(CC)CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000082121758 559039594 /nfs/dbraw/zinc/03/95/94/559039594.db2.gz MYGOQSNTGYJCQJ-JOCHJYFZSA-N 1 1 412.622 3.797 50 0 HHAAMO COc1cc(CN2CC=C(C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000095511140 559083826 /nfs/dbraw/zinc/08/38/26/559083826.db2.gz UHOMWPWAOSJSPS-QFIPXVFZSA-N 1 1 402.579 3.851 50 0 HHAAMO COc1cc(CN2CC=C(C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095511140 559083827 /nfs/dbraw/zinc/08/38/27/559083827.db2.gz UHOMWPWAOSJSPS-QFIPXVFZSA-N 1 1 402.579 3.851 50 0 HHAAMO Cc1nc2ncnn2c(N2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c1Cc1ccccc1 ZINC000023322587 559140681 /nfs/dbraw/zinc/14/06/81/559140681.db2.gz POPCRKOYKMNAFT-GOSISDBHSA-N 1 1 404.562 3.724 50 0 HHAAMO C[N@@H+](Cc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O)C1CCCCC1 ZINC000023352556 559173164 /nfs/dbraw/zinc/17/31/64/559173164.db2.gz VHWRRPSZQCQVRE-UHFFFAOYSA-N 1 1 404.514 3.800 50 0 HHAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 ZINC000005042715 559236130 /nfs/dbraw/zinc/23/61/30/559236130.db2.gz ULHIHIIDLKVYRC-UHFFFAOYSA-N 1 1 420.575 3.804 50 0 HHAAMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000046569516 559249454 /nfs/dbraw/zinc/24/94/54/559249454.db2.gz VWIPKWHIZAZCJB-GOSISDBHSA-N 1 1 407.558 3.826 50 0 HHAAMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000046569516 559249456 /nfs/dbraw/zinc/24/94/56/559249456.db2.gz VWIPKWHIZAZCJB-GOSISDBHSA-N 1 1 407.558 3.826 50 0 HHAAMO NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008762577 560638428 /nfs/dbraw/zinc/63/84/28/560638428.db2.gz XZGCSRAKBSQFEI-HXUWFJFHSA-N 1 1 415.324 3.890 50 0 HHAAMO C[N@@H+]1C[C@H](c2ccccc2)[C@]2(COc3ccccc3C2=O)[C@]12c1ccccc1NC2=O ZINC000106338052 560890600 /nfs/dbraw/zinc/89/06/00/560890600.db2.gz QHOFUTURFHYTTR-RFLWCCGPSA-N 1 1 410.473 3.825 50 0 HHAAMO C[N@H+]1C[C@H](c2ccccc2)[C@]2(COc3ccccc3C2=O)[C@]12c1ccccc1NC2=O ZINC000106338052 560890601 /nfs/dbraw/zinc/89/06/01/560890601.db2.gz QHOFUTURFHYTTR-RFLWCCGPSA-N 1 1 410.473 3.825 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000106395550 560891192 /nfs/dbraw/zinc/89/11/92/560891192.db2.gz NBYGLADCNQZALG-RBUKOAKNSA-N 1 1 418.557 3.840 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)cc1I ZINC000048313442 568439195 /nfs/dbraw/zinc/43/91/95/568439195.db2.gz UQQDSYIILFBXDH-LBPRGKRZSA-N 1 1 420.722 3.939 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccs4)CC3)n2)cc1 ZINC000046053271 568425301 /nfs/dbraw/zinc/42/53/01/568425301.db2.gz WUPFVXWWZMBPDW-UHFFFAOYSA-N 1 1 409.515 3.561 50 0 HHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000048065871 568431845 /nfs/dbraw/zinc/43/18/45/568431845.db2.gz KTLUYIWHWOXAPF-YXMGTMDOSA-N 1 1 413.543 3.893 50 0 HHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000048065871 568431846 /nfs/dbraw/zinc/43/18/46/568431846.db2.gz KTLUYIWHWOXAPF-YXMGTMDOSA-N 1 1 413.543 3.893 50 0 HHAAMO Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000048355067 568441409 /nfs/dbraw/zinc/44/14/09/568441409.db2.gz XAIHYNMIVFMAHX-GASCZTMLSA-N 1 1 412.513 3.563 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)Nc3ccccc3F)n2)cc1 ZINC000049372173 568447232 /nfs/dbraw/zinc/44/72/32/568447232.db2.gz XIFWFYGVMBYOIT-UHFFFAOYSA-N 1 1 410.453 3.910 50 0 HHAAMO COc1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000049771959 568453466 /nfs/dbraw/zinc/45/34/66/568453466.db2.gz SECUXGOCAXAHGI-RKCQOLGWSA-N 1 1 407.539 3.506 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)[NH+](C)C ZINC000023178309 568509381 /nfs/dbraw/zinc/50/93/81/568509381.db2.gz DNVGLCUSCXKUBD-POICXBNUSA-N 1 1 418.541 3.930 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)C2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213972 568594430 /nfs/dbraw/zinc/59/44/30/568594430.db2.gz RPLZRBXZLWBDNL-IBGZPJMESA-N 1 1 405.926 3.776 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](C)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213972 568594432 /nfs/dbraw/zinc/59/44/32/568594432.db2.gz RPLZRBXZLWBDNL-IBGZPJMESA-N 1 1 405.926 3.776 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](C)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213972 568594434 /nfs/dbraw/zinc/59/44/34/568594434.db2.gz RPLZRBXZLWBDNL-IBGZPJMESA-N 1 1 405.926 3.776 50 0 HHAAMO CCn1ccnc1[C@H]([NH2+]CCSC)c1ccc(I)cc1 ZINC000095452946 568615670 /nfs/dbraw/zinc/61/56/70/568615670.db2.gz NJUVZMRJCDWONX-CQSZACIVSA-N 1 1 401.317 3.550 50 0 HHAAMO CCn1ccnc1[C@@H]([NH2+]CCSC)c1ccc(I)cc1 ZINC000095452947 568615688 /nfs/dbraw/zinc/61/56/88/568615688.db2.gz NJUVZMRJCDWONX-AWEZNQCLSA-N 1 1 401.317 3.550 50 0 HHAAMO CC(C)Sc1ccc(C(=O)N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000095459650 568619700 /nfs/dbraw/zinc/61/97/00/568619700.db2.gz NHSZAKJTHKBJPY-KDURUIRLSA-N 1 1 420.619 3.918 50 0 HHAAMO CC(C)Sc1ccc(C(=O)N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000095459650 568619703 /nfs/dbraw/zinc/61/97/03/568619703.db2.gz NHSZAKJTHKBJPY-KDURUIRLSA-N 1 1 420.619 3.918 50 0 HHAAMO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998050 568657394 /nfs/dbraw/zinc/65/73/94/568657394.db2.gz XNUVMTDXBRPTGO-OAQYLSRUSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998050 568657396 /nfs/dbraw/zinc/65/73/96/568657396.db2.gz XNUVMTDXBRPTGO-OAQYLSRUSA-N 1 1 413.537 3.630 50 0 HHAAMO CCCOc1c(Cl)cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000021052223 568660915 /nfs/dbraw/zinc/66/09/15/568660915.db2.gz CLQSXGGILKTWBE-GJZGRUSLSA-N 1 1 412.958 3.755 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000012420111 568719432 /nfs/dbraw/zinc/71/94/32/568719432.db2.gz IHJMRRRMGQANKN-JOCHJYFZSA-N 1 1 418.537 3.924 50 0 HHAAMO Cc1[nH]nc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)s2)c1C ZINC000096341482 568736929 /nfs/dbraw/zinc/73/69/29/568736929.db2.gz COSCWITUJWSYSV-UHFFFAOYSA-N 1 1 422.620 3.702 50 0 HHAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000021794796 568753345 /nfs/dbraw/zinc/75/33/45/568753345.db2.gz AYCWXCUYSHMUKZ-UHFFFAOYSA-N 1 1 401.467 3.535 50 0 HHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3cccc(Cl)c3)s2)CC1 ZINC000021880835 568757165 /nfs/dbraw/zinc/75/71/65/568757165.db2.gz IOLHNRKWOXKOBL-UHFFFAOYSA-N 1 1 402.955 3.736 50 0 HHAAMO CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022358638 568766965 /nfs/dbraw/zinc/76/69/65/568766965.db2.gz BJWPIJCZMMIKSK-GOSISDBHSA-N 1 1 402.560 3.511 50 0 HHAAMO CCOc1ccc2nc(NC(=O)CSc3nnc([C@H](CC)[NH+](C)C)o3)sc2c1 ZINC000002659073 568798547 /nfs/dbraw/zinc/79/85/47/568798547.db2.gz ZYNZNPBIGJFWEV-ZDUSSCGKSA-N 1 1 421.548 3.822 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@H](C)O1 ZINC000029473898 568826328 /nfs/dbraw/zinc/82/63/28/568826328.db2.gz CNHMQBYECYILFS-GASCZTMLSA-N 1 1 416.905 3.973 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2)C[C@H](C)O1 ZINC000029473898 568826330 /nfs/dbraw/zinc/82/63/30/568826330.db2.gz CNHMQBYECYILFS-GASCZTMLSA-N 1 1 416.905 3.973 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075701 568831400 /nfs/dbraw/zinc/83/14/00/568831400.db2.gz AOXTZJPERMEUKV-SFTDATJTSA-N 1 1 413.587 3.897 50 0 HHAAMO CC[C@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000230151605 568852739 /nfs/dbraw/zinc/85/27/39/568852739.db2.gz DGVXAVIHODYYOB-IRXDYDNUSA-N 1 1 417.579 3.683 50 0 HHAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004062776 568881699 /nfs/dbraw/zinc/88/16/99/568881699.db2.gz BIROQCBOOCIHGW-VEXUSMLFSA-N 1 1 416.562 3.780 50 0 biogenic HHAAMO CCCCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004062776 568881702 /nfs/dbraw/zinc/88/17/02/568881702.db2.gz BIROQCBOOCIHGW-VEXUSMLFSA-N 1 1 416.562 3.780 50 0 biogenic HHAAMO C[NH+](C)[C@H](CNC(=O)c1cc(Br)c(Br)s1)c1ccco1 ZINC000003334162 568882415 /nfs/dbraw/zinc/88/24/15/568882415.db2.gz RMDOTGPZIHXBJS-SECBINFHSA-N 1 1 422.142 3.899 50 0 HHAAMO C[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000031124267 568914807 /nfs/dbraw/zinc/91/48/07/568914807.db2.gz WGJVXYKESNPKOL-INIZCTEOSA-N 1 1 414.575 3.711 50 0 HHAAMO C[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000031124267 568914809 /nfs/dbraw/zinc/91/48/09/568914809.db2.gz WGJVXYKESNPKOL-INIZCTEOSA-N 1 1 414.575 3.711 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000012700343 568917396 /nfs/dbraw/zinc/91/73/96/568917396.db2.gz LIFATGKQRGBHTA-UWJYYQICSA-N 1 1 407.514 3.986 50 0 HHAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000012755331 568942634 /nfs/dbraw/zinc/94/26/34/568942634.db2.gz QGORJGSYXQPFLI-FQEVSTJZSA-N 1 1 408.951 3.854 50 0 HHAAMO CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C(C)C)C3)cc1 ZINC000004223515 568952518 /nfs/dbraw/zinc/95/25/18/568952518.db2.gz LZHWQOGQJYOQFD-UHFFFAOYSA-N 1 1 402.516 3.952 50 0 HHAAMO CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C(C)C)C3)cc1 ZINC000004223515 568952520 /nfs/dbraw/zinc/95/25/20/568952520.db2.gz LZHWQOGQJYOQFD-UHFFFAOYSA-N 1 1 402.516 3.952 50 0 HHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 ZINC000012778653 568956324 /nfs/dbraw/zinc/95/63/24/568956324.db2.gz ZULXZIDBHBMIHR-KBPBESRZSA-N 1 1 420.966 3.643 50 0 HHAAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000008066231 568971127 /nfs/dbraw/zinc/97/11/27/568971127.db2.gz YUYYKKFUQFOIIJ-UHFFFAOYSA-N 1 1 401.923 3.713 50 0 HHAAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000008066231 568971130 /nfs/dbraw/zinc/97/11/30/568971130.db2.gz YUYYKKFUQFOIIJ-UHFFFAOYSA-N 1 1 401.923 3.713 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccccc1Cl ZINC000008310319 568988587 /nfs/dbraw/zinc/98/85/87/568988587.db2.gz RKRMOWGPDBTOFA-IBGZPJMESA-N 1 1 400.906 3.955 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1ccccc1Cl ZINC000008310319 568988588 /nfs/dbraw/zinc/98/85/88/568988588.db2.gz RKRMOWGPDBTOFA-IBGZPJMESA-N 1 1 400.906 3.955 50 0 HHAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310505 568988795 /nfs/dbraw/zinc/98/87/95/568988795.db2.gz OWOBMBYGKWKREV-VQIMIIECSA-N 1 1 415.534 3.532 50 0 HHAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310505 568988797 /nfs/dbraw/zinc/98/87/97/568988797.db2.gz OWOBMBYGKWKREV-VQIMIIECSA-N 1 1 415.534 3.532 50 0 HHAAMO COc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000085878388 569009727 /nfs/dbraw/zinc/00/97/27/569009727.db2.gz BSBXGHXDLZFXDS-SIKLNZKXSA-N 1 1 421.541 3.942 50 0 biogenic HHAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000015825971 569011433 /nfs/dbraw/zinc/01/14/33/569011433.db2.gz OFNDLQJOIFUOBD-UHFFFAOYSA-N 1 1 401.514 3.513 50 0 HHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc(COc2ccc(F)cc2)n1 ZINC000012937578 569027915 /nfs/dbraw/zinc/02/79/15/569027915.db2.gz PETCDSBETLRQJM-SFHVURJKSA-N 1 1 411.502 3.866 50 0 HHAAMO CCc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)cc1 ZINC000035380375 569034510 /nfs/dbraw/zinc/03/45/10/569034510.db2.gz YMXSFORSIIEWMA-BJKOFHAPSA-N 1 1 413.521 3.760 50 0 HHAAMO Cc1[nH+]ccn1CC1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 ZINC000090560583 569041135 /nfs/dbraw/zinc/04/11/35/569041135.db2.gz RSDKLXMZKCPIOH-UHFFFAOYSA-N 1 1 402.347 3.908 50 0 HHAAMO Cc1cc(N2CC[NH+](Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)nc(C(C)C)n1 ZINC000012999807 569049179 /nfs/dbraw/zinc/04/91/79/569049179.db2.gz HFOJUIYWYZOOHA-UHFFFAOYSA-N 1 1 406.530 3.954 50 0 HHAAMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013017881 569050979 /nfs/dbraw/zinc/05/09/79/569050979.db2.gz HYMQEQUNOUIKTM-IBGZPJMESA-N 1 1 408.542 3.775 50 0 HHAAMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013017881 569050980 /nfs/dbraw/zinc/05/09/80/569050980.db2.gz HYMQEQUNOUIKTM-IBGZPJMESA-N 1 1 408.542 3.775 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@@H+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)c(OC)c1 ZINC000053898472 569052197 /nfs/dbraw/zinc/05/21/97/569052197.db2.gz NKVBQBFKHXTYAB-HSZRJFAPSA-N 1 1 410.514 3.631 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@H+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)c(OC)c1 ZINC000053898472 569052198 /nfs/dbraw/zinc/05/21/98/569052198.db2.gz NKVBQBFKHXTYAB-HSZRJFAPSA-N 1 1 410.514 3.631 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035828106 569061611 /nfs/dbraw/zinc/06/16/11/569061611.db2.gz YVUFEZLYZUOAFD-YQOVMPOYSA-N 1 1 405.498 3.582 50 0 HHAAMO COCc1nc(C)c(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)s1 ZINC000089559493 569070294 /nfs/dbraw/zinc/07/02/94/569070294.db2.gz GHJBCIRFYDGFLZ-KRWDZBQOSA-N 1 1 403.548 3.564 50 0 HHAAMO COc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cc1=O ZINC000426414409 569072847 /nfs/dbraw/zinc/07/28/47/569072847.db2.gz OIYMVVWZWKKFQO-VWLOTQADSA-N 1 1 409.574 3.995 50 0 HHAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095724 569090027 /nfs/dbraw/zinc/09/00/27/569090027.db2.gz CPLRAQOVQBHKFC-OAQYLSRUSA-N 1 1 411.498 3.877 50 0 HHAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095724 569090028 /nfs/dbraw/zinc/09/00/28/569090028.db2.gz CPLRAQOVQBHKFC-OAQYLSRUSA-N 1 1 411.498 3.877 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103639 569092358 /nfs/dbraw/zinc/09/23/58/569092358.db2.gz NWDIHKQJEHSWQA-OAQYLSRUSA-N 1 1 411.498 3.877 50 0 HHAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801060 569096875 /nfs/dbraw/zinc/09/68/75/569096875.db2.gz ILHPAPNOHDWUED-UHFFFAOYSA-N 1 1 407.449 3.757 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145864 569098380 /nfs/dbraw/zinc/09/83/80/569098380.db2.gz DQFGLAYYLOBEOW-YADHBBJMSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145860 569098430 /nfs/dbraw/zinc/09/84/30/569098430.db2.gz NTXHCBQLLQWMFO-PKTZIBPZSA-N 1 1 414.521 3.854 50 0 HHAAMO COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146560 569098800 /nfs/dbraw/zinc/09/88/00/569098800.db2.gz SWEBFGJOZJHYJF-UXHICEINSA-N 1 1 423.340 3.996 50 0 HHAAMO CC[N@@H+](CCCNC(=O)CN1c2ccccc2SCCC1=O)Cc1ccccc1 ZINC000006805652 569131593 /nfs/dbraw/zinc/13/15/93/569131593.db2.gz SOIZUPCWIICNID-UHFFFAOYSA-N 1 1 411.571 3.544 50 0 HHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036346258 569143541 /nfs/dbraw/zinc/14/35/41/569143541.db2.gz MQRYCHXLZPSTDX-KRWDZBQOSA-N 1 1 413.493 3.941 50 0 HHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](C)O ZINC000036346258 569143542 /nfs/dbraw/zinc/14/35/42/569143542.db2.gz MQRYCHXLZPSTDX-KRWDZBQOSA-N 1 1 413.493 3.941 50 0 HHAAMO CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000036395475 569168740 /nfs/dbraw/zinc/16/87/40/569168740.db2.gz WTCNBKIWLLXTBS-UHFFFAOYSA-N 1 1 415.559 3.612 50 0 HHAAMO Cc1ccccc1Oc1nccnc1SCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000065111223 569178838 /nfs/dbraw/zinc/17/88/38/569178838.db2.gz WGQGNQYBEYPAHJ-INIZCTEOSA-N 1 1 400.548 3.518 50 0 HHAAMO CCCN1c2ccc(C(=O)N3CC[NH+](CCC)CC3)cc2Sc2ncccc2C1=O ZINC000065241380 569204003 /nfs/dbraw/zinc/20/40/03/569204003.db2.gz ALNYKTCARAQTAI-UHFFFAOYSA-N 1 1 424.570 3.771 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700061 569222471 /nfs/dbraw/zinc/22/24/71/569222471.db2.gz JAWLHGFJUPXAMJ-NRFANRHFSA-N 1 1 402.922 3.932 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700061 569222472 /nfs/dbraw/zinc/22/24/72/569222472.db2.gz JAWLHGFJUPXAMJ-NRFANRHFSA-N 1 1 402.922 3.932 50 0 HHAAMO CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000089761623 569263523 /nfs/dbraw/zinc/26/35/23/569263523.db2.gz PUNHDKQWQBPEAM-YJBOKZPZSA-N 1 1 403.573 3.723 50 0 HHAAMO COc1cc(-c2noc(C[N@@H+](C(C)C)[C@@H]3CCCC[C@H]3O)n2)ccc1OC(F)F ZINC000252477334 569288362 /nfs/dbraw/zinc/28/83/62/569288362.db2.gz MFWWLKNNZOSBRR-HUUCEWRRSA-N 1 1 411.449 3.861 50 0 HHAAMO CC(=O)CCc1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000170654885 569295372 /nfs/dbraw/zinc/29/53/72/569295372.db2.gz WJBOWKAXLZCAJA-CVDCTZTESA-N 1 1 408.542 3.756 50 0 HHAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)CC1 ZINC000581819763 569320805 /nfs/dbraw/zinc/32/08/05/569320805.db2.gz JPIFHPREBNXGFK-QFIPXVFZSA-N 1 1 414.594 3.506 50 0 HHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000015957659 569357226 /nfs/dbraw/zinc/35/72/26/569357226.db2.gz IAJWLDIXDYBHTM-WDJPJFJCSA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000015957659 569357227 /nfs/dbraw/zinc/35/72/27/569357227.db2.gz IAJWLDIXDYBHTM-WDJPJFJCSA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002308449 569372664 /nfs/dbraw/zinc/37/26/64/569372664.db2.gz UIJTUYHOCBTSAB-HNNXBMFYSA-N 1 1 421.497 3.739 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002308449 569372665 /nfs/dbraw/zinc/37/26/65/569372665.db2.gz UIJTUYHOCBTSAB-HNNXBMFYSA-N 1 1 421.497 3.739 50 0 HHAAMO Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000079049244 569425444 /nfs/dbraw/zinc/42/54/44/569425444.db2.gz YAKPYUJQCYPTJC-SZPZYZBQSA-N 1 1 401.510 3.783 50 0 HHAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(C)C)[nH]c(=O)c2C1 ZINC000067291917 571068285 /nfs/dbraw/zinc/06/82/85/571068285.db2.gz UMUGWQLJDKTROZ-UHFFFAOYSA-N 1 1 400.548 3.805 50 0 HHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(C)C)[nH]c(=O)c2C1 ZINC000067291917 571068288 /nfs/dbraw/zinc/06/82/88/571068288.db2.gz UMUGWQLJDKTROZ-UHFFFAOYSA-N 1 1 400.548 3.805 50 0 HHAAMO O=C(/C=C/c1c(Cl)nc2sccn12)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068876897 571136627 /nfs/dbraw/zinc/13/66/27/571136627.db2.gz MAEWQHOOFCQRSH-MOEXGYKKSA-N 1 1 417.918 3.507 50 0 HHAAMO O=C(/C=C/c1c(Cl)nc2sccn12)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068876897 571136628 /nfs/dbraw/zinc/13/66/28/571136628.db2.gz MAEWQHOOFCQRSH-MOEXGYKKSA-N 1 1 417.918 3.507 50 0 HHAAMO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000040070938 571151357 /nfs/dbraw/zinc/15/13/57/571151357.db2.gz DXLUSBOIMBGNPA-XMMPIXPASA-N 1 1 417.553 3.904 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1 ZINC000040086987 571157636 /nfs/dbraw/zinc/15/76/36/571157636.db2.gz JLPJYNWBXIZCBI-UHFFFAOYSA-N 1 1 422.529 3.747 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000040108158 571168166 /nfs/dbraw/zinc/16/81/66/571168166.db2.gz XJEALIUWFHBSEA-YLJYHZDGSA-N 1 1 407.986 3.865 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000040112380 571170462 /nfs/dbraw/zinc/17/04/62/571170462.db2.gz MAEUZGHBRIBLJT-GOSISDBHSA-N 1 1 403.526 3.761 50 0 HHAAMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1-c1ccccc1 ZINC000040149715 571196931 /nfs/dbraw/zinc/19/69/31/571196931.db2.gz RYJHQAUNJVDBRT-UHFFFAOYSA-N 1 1 422.550 3.664 50 0 HHAAMO CC(C)N(C[C@H]1CCC[N@H+](CN2C(=O)CC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000040155465 571202563 /nfs/dbraw/zinc/20/25/63/571202563.db2.gz JURANNRUNZESDJ-SFHVURJKSA-N 1 1 421.582 3.621 50 0 HHAAMO CC(C)N(C[C@H]1CCC[N@@H+](CN2C(=O)CC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000040155465 571202566 /nfs/dbraw/zinc/20/25/66/571202566.db2.gz JURANNRUNZESDJ-SFHVURJKSA-N 1 1 421.582 3.621 50 0 HHAAMO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000040156443 571203408 /nfs/dbraw/zinc/20/34/08/571203408.db2.gz HARZTEAIRXPEDL-XXBNENTESA-N 1 1 409.574 3.988 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000245328360 571225237 /nfs/dbraw/zinc/22/52/37/571225237.db2.gz OAJNPRWXDHYUHH-KUHUBIRLSA-N 1 1 405.926 3.728 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000245328360 571225240 /nfs/dbraw/zinc/22/52/40/571225240.db2.gz OAJNPRWXDHYUHH-KUHUBIRLSA-N 1 1 405.926 3.728 50 0 HHAAMO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)C(C)C)cc1 ZINC000009517094 571265259 /nfs/dbraw/zinc/26/52/59/571265259.db2.gz KDGFIOQNZNVWRZ-NHTMILBNSA-N 1 1 419.569 3.892 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000009577984 571270066 /nfs/dbraw/zinc/27/00/66/571270066.db2.gz BVEVWALNDQRAAK-HXUWFJFHSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000009577984 571270067 /nfs/dbraw/zinc/27/00/67/571270067.db2.gz BVEVWALNDQRAAK-HXUWFJFHSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1nc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)cs1 ZINC000011708402 962167443 /nfs/dbraw/zinc/16/74/43/962167443.db2.gz CZNUMMIWCRVWRT-OAQYLSRUSA-N 1 1 405.514 3.787 50 0 HHAAMO Cc1nc(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)cs1 ZINC000011708402 962167452 /nfs/dbraw/zinc/16/74/52/962167452.db2.gz CZNUMMIWCRVWRT-OAQYLSRUSA-N 1 1 405.514 3.787 50 0 HHAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1CCCn1cccn1 ZINC000011820812 962199951 /nfs/dbraw/zinc/19/99/51/962199951.db2.gz KFGMFWZGEORNEF-NRFANRHFSA-N 1 1 405.502 3.954 50 0 HHAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000012123435 962243559 /nfs/dbraw/zinc/24/35/59/962243559.db2.gz HPJJZRLNQVABJH-LJQANCHMSA-N 1 1 411.575 3.774 50 0 HHAAMO C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012149193 962246341 /nfs/dbraw/zinc/24/63/41/962246341.db2.gz MMUKZBSDIMKJEH-KRWDZBQOSA-N 1 1 422.481 3.838 50 0 HHAAMO O=C(c1nc2ccccn2c1C[NH+]1CCC([C@H](O)c2cccs2)CC1)N1CCCC1 ZINC000012429698 962277557 /nfs/dbraw/zinc/27/75/57/962277557.db2.gz QJHAOEBQTYBMSO-QFIPXVFZSA-N 1 1 424.570 3.577 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC ZINC000012589670 962297799 /nfs/dbraw/zinc/29/77/99/962297799.db2.gz FIUMEAGAWGOHFK-DEOSSOPVSA-N 1 1 411.546 3.777 50 0 HHAAMO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000014747001 962567627 /nfs/dbraw/zinc/56/76/27/962567627.db2.gz WULAIGRNLHBHJN-GOSISDBHSA-N 1 1 400.592 3.826 50 0 HHAAMO Cc1noc(C)c1CC(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015002658 962624781 /nfs/dbraw/zinc/62/47/81/962624781.db2.gz RDMDBQXBEXTDJE-NRFANRHFSA-N 1 1 411.527 3.648 50 0 HHAAMO Cc1noc(C)c1CC(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015002658 962624789 /nfs/dbraw/zinc/62/47/89/962624789.db2.gz RDMDBQXBEXTDJE-NRFANRHFSA-N 1 1 411.527 3.648 50 0 HHAAMO CSc1ncc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000015067387 962644838 /nfs/dbraw/zinc/64/48/38/962644838.db2.gz VYWROMVACAMSIL-OAQYLSRUSA-N 1 1 404.624 3.834 50 0 HHAAMO O=C1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1 ZINC000019225591 963357768 /nfs/dbraw/zinc/35/77/68/963357768.db2.gz LOKNCSJDDZMSMY-UHFFFAOYSA-N 1 1 409.549 3.567 50 0 HHAAMO O=C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1 ZINC000019225591 963357775 /nfs/dbraw/zinc/35/77/75/963357775.db2.gz LOKNCSJDDZMSMY-UHFFFAOYSA-N 1 1 409.549 3.567 50 0 HHAAMO CCn1nc(C)c(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020449933 963389147 /nfs/dbraw/zinc/38/91/47/963389147.db2.gz IHINCUYZCFOQIB-NRFANRHFSA-N 1 1 414.594 3.676 50 0 HHAAMO C[N@@H+]1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000020455575 963389218 /nfs/dbraw/zinc/38/92/18/963389218.db2.gz WIEXLDKXIMCUDC-JOCHJYFZSA-N 1 1 418.541 3.693 50 0 HHAAMO C[N@H+]1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000020455575 963389226 /nfs/dbraw/zinc/38/92/26/963389226.db2.gz WIEXLDKXIMCUDC-JOCHJYFZSA-N 1 1 418.541 3.693 50 0 HHAAMO Cc1c2cc(C)cc(CNC(=O)C[C@H]3CN(C)CC[N@H+]3C)c2[nH]c1-c1ccccc1 ZINC000020907327 963403294 /nfs/dbraw/zinc/40/32/94/963403294.db2.gz CBPVSJYQNQCXGJ-NRFANRHFSA-N 1 1 404.558 3.704 50 0 HHAAMO Cc1c2cc(C)cc(CNC(=O)C[C@H]3C[N@@H+](C)CCN3C)c2[nH]c1-c1ccccc1 ZINC000020907327 963403303 /nfs/dbraw/zinc/40/33/03/963403303.db2.gz CBPVSJYQNQCXGJ-NRFANRHFSA-N 1 1 404.558 3.704 50 0 HHAAMO Cc1c2cc(C)cc(CNC(=O)C[C@H]3C[N@H+](C)CCN3C)c2[nH]c1-c1ccccc1 ZINC000020907327 963403309 /nfs/dbraw/zinc/40/33/09/963403309.db2.gz CBPVSJYQNQCXGJ-NRFANRHFSA-N 1 1 404.558 3.704 50 0 HHAAMO c1ccc(COc2ccc(C[N@@H+]3CCc4nnc([C@@H]5CCCO5)n4CC3)cc2)cc1 ZINC000023153256 963775637 /nfs/dbraw/zinc/77/56/37/963775637.db2.gz LJTLBABWAHGEPL-QFIPXVFZSA-N 1 1 404.514 3.767 50 0 HHAAMO c1ccc(COc2ccc(C[N@@H+]3CCc4nnc([C@H]5CCCO5)n4CC3)cc2)cc1 ZINC000023153255 963775775 /nfs/dbraw/zinc/77/57/75/963775775.db2.gz LJTLBABWAHGEPL-JOCHJYFZSA-N 1 1 404.514 3.767 50 0 HHAAMO O=c1cc(C(F)F)nc(-c2ccccc2CN2CCC[N@H+](C3CCCC3)CC2)[nH]1 ZINC000055108162 965757547 /nfs/dbraw/zinc/75/75/47/965757547.db2.gz RWHXBQNZBDXBEF-UHFFFAOYSA-N 1 1 402.489 3.825 50 0 HHAAMO O=C(CSc1ccccc1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055118803 965763182 /nfs/dbraw/zinc/76/31/82/965763182.db2.gz YWKAGYKYHXGLSK-NRFANRHFSA-N 1 1 413.562 3.731 50 0 HHAAMO CCn1cc(-c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c3cccc(C)c3n2)cn1 ZINC000063882042 966986603 /nfs/dbraw/zinc/98/66/03/966986603.db2.gz OEYDLHGFJVSADV-IBGZPJMESA-N 1 1 403.530 3.737 50 0 HHAAMO CC(C)NC(=O)c1ccccc1OC[C@@H]1CCC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000169774385 970478604 /nfs/dbraw/zinc/47/86/04/970478604.db2.gz JIBPTQLOXHFNGF-LJQANCHMSA-N 1 1 416.562 3.601 50 0 HHAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000169780851 970480675 /nfs/dbraw/zinc/48/06/75/970480675.db2.gz CWZSDTMTBDGRCL-DEOSSOPVSA-N 1 1 419.569 3.522 50 0 HHAAMO COc1ccc(C(=O)N2CCC([N@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000169787009 970481855 /nfs/dbraw/zinc/48/18/55/970481855.db2.gz XBCMGJOQYOUFEN-OAQYLSRUSA-N 1 1 413.562 3.509 50 0 HHAAMO Fc1ccc(CN2CCC([N@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)c(F)c1 ZINC000257186207 970621403 /nfs/dbraw/zinc/62/14/03/970621403.db2.gz YPVARFXAAJDMJL-QFIPXVFZSA-N 1 1 406.517 3.589 50 0 HHAAMO Cc1nnc([C@H]2CC3(C[N@@H+]2CC(C)C)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)o1 ZINC000257192989 970625097 /nfs/dbraw/zinc/62/50/97/970625097.db2.gz WVOSKKDVIVMUOG-HXUWFJFHSA-N 1 1 412.534 3.761 50 0 HHAAMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)CCNC(=O)CC2)c1 ZINC000257196655 970625858 /nfs/dbraw/zinc/62/58/58/970625858.db2.gz YPKSLTTYPJENDR-HXUWFJFHSA-N 1 1 419.529 3.716 50 0 HHAAMO COc1ccccc1CCNc1nc(C[N@@H+]2CCCC[C@@H]2CO)nc2ccccc21 ZINC000299757762 970720568 /nfs/dbraw/zinc/72/05/68/970720568.db2.gz MWSANMKQXMOWCM-LJQANCHMSA-N 1 1 406.530 3.640 50 0 HHAAMO COc1ccccc1CCNc1nc(C[N@H+]2CCCC[C@@H]2CO)nc2ccccc21 ZINC000299757762 970720583 /nfs/dbraw/zinc/72/05/83/970720583.db2.gz MWSANMKQXMOWCM-LJQANCHMSA-N 1 1 406.530 3.640 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2c3[nH]cnc3CC[N@H+]2C(C)C)CC1 ZINC000409419668 972890937 /nfs/dbraw/zinc/89/09/37/972890937.db2.gz APSNVTAJWCXJBP-NRFANRHFSA-N 1 1 416.953 3.932 50 0 HHAAMO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)N1CCOCC1 ZINC000169749164 1075688529 /nfs/dbraw/zinc/68/85/29/1075688529.db2.gz NSHOMGXQJYWKOO-GOSISDBHSA-N 1 1 400.544 3.512 50 0 HHAAMO O=C(c1ccccc1OC[C@H]1CCC[N@@H+](Cc2ccsc2)C1)N1CCOCC1 ZINC000169749165 1075688592 /nfs/dbraw/zinc/68/85/92/1075688592.db2.gz NSHOMGXQJYWKOO-SFHVURJKSA-N 1 1 400.544 3.512 50 0 HHAAMO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000009647107 132234343 /nfs/dbraw/zinc/23/43/43/132234343.db2.gz PMGDJHLGNLOWMN-UHFFFAOYSA-N 1 1 402.498 3.665 50 0 HHAAMO CC[NH+]1CCN(c2nc3cc4c(cc3cc2CNCc2cccc(F)c2)OCO4)CC1 ZINC000012155576 132355433 /nfs/dbraw/zinc/35/54/33/132355433.db2.gz PMMREDJLJBDQSM-UHFFFAOYSA-N 1 1 422.504 3.534 50 0 HHAAMO O=C(CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CCCCC1 ZINC000012923836 132450062 /nfs/dbraw/zinc/45/00/62/132450062.db2.gz IVALNIFDTVZURL-UHFFFAOYSA-N 1 1 418.891 3.715 50 0 HHAAMO CC(=O)N[C@H](CC(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1)c1cccs1 ZINC000032885689 519697346 /nfs/dbraw/zinc/69/73/46/519697346.db2.gz AYJZHFHGXPLLDY-CKEIUWERSA-N 1 1 420.604 3.889 50 0 HHAAMO CC(C)[C@H](CNC(=O)CCCSc1nc2ccccc2s1)[NH+]1CCOCC1 ZINC000032901140 519815289 /nfs/dbraw/zinc/81/52/89/519815289.db2.gz YPTQXHVWRKJNEH-KRWDZBQOSA-N 1 1 407.605 3.642 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2[nH]c3ccccc3c2C)C[C@H]1CCO ZINC000036385720 521484550 /nfs/dbraw/zinc/48/45/50/521484550.db2.gz SQBVFYILJFUUST-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2[nH]c3ccccc3c2C)C[C@H]1CCO ZINC000036385720 521484559 /nfs/dbraw/zinc/48/45/59/521484559.db2.gz SQBVFYILJFUUST-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2[nH]c3ccccc3c2C)C[C@H]1CCO ZINC000036385720 521484570 /nfs/dbraw/zinc/48/45/70/521484570.db2.gz SQBVFYILJFUUST-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c3ccccc3c2C)C[C@H]1CCO ZINC000036385720 521484578 /nfs/dbraw/zinc/48/45/78/521484578.db2.gz SQBVFYILJFUUST-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO COc1cc(CN2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020535718 522383893 /nfs/dbraw/zinc/38/38/93/522383893.db2.gz IRKBAFQWNKVDAQ-FQEVSTJZSA-N 1 1 423.557 3.562 50 0 HHAAMO COc1cc(CN2CC[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020535718 522383901 /nfs/dbraw/zinc/38/39/01/522383901.db2.gz IRKBAFQWNKVDAQ-FQEVSTJZSA-N 1 1 423.557 3.562 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000045014419 524445489 /nfs/dbraw/zinc/44/54/89/524445489.db2.gz PTOYBUVXWLBKEE-UHFFFAOYSA-N 1 1 418.541 3.656 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccnc(OC4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000031899972 524615011 /nfs/dbraw/zinc/61/50/11/524615011.db2.gz RTXRRYGRTIHFTA-OALUTQOASA-N 1 1 423.557 3.942 50 0 HHAAMO Cc1ccc(-c2cccc3c(C(=O)NCCC[NH+]4CCN(C)CC4)cc(C)nc23)cc1 ZINC000033036947 525757031 /nfs/dbraw/zinc/75/70/31/525757031.db2.gz LBQQLWYFYQBYLS-UHFFFAOYSA-N 1 1 416.569 3.886 50 0 HHAAMO Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CC[NH+](C(C)C)CC3)n2)cc1 ZINC000032579177 525879795 /nfs/dbraw/zinc/87/97/95/525879795.db2.gz KHGLCOVUAMFQOT-UHFFFAOYSA-N 1 1 420.513 3.790 50 0 HHAAMO O=C(c1n[nH]c2c1CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020567767 526913200 /nfs/dbraw/zinc/91/32/00/526913200.db2.gz PQGFNGPLBZBFIT-UHFFFAOYSA-N 1 1 400.526 3.836 50 0 HHAAMO O=C(CSc1ncccn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019921099 527070754 /nfs/dbraw/zinc/07/07/54/527070754.db2.gz PEKNUWSVPWGPBU-UHFFFAOYSA-N 1 1 404.539 3.503 50 0 HHAAMO O=C([C@@H]1CCN(c2ccc3ccccc3c2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034676294 557363938 /nfs/dbraw/zinc/36/39/38/557363938.db2.gz JQEXNXHRJCESSP-DEOSSOPVSA-N 1 1 413.521 3.537 50 0 HHAAMO COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](Cc4cccs4)CC3)nc2)cc1 ZINC000034681574 557383374 /nfs/dbraw/zinc/38/33/74/557383374.db2.gz LBEGLNVHGFJSBM-UHFFFAOYSA-N 1 1 422.554 3.655 50 0 HHAAMO Cc1cc([C@H]2C[C@@H](C(=O)N3CCOCC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716779 557430438 /nfs/dbraw/zinc/43/04/38/557430438.db2.gz GZYJQPIIMAMLAA-LEWJYISDSA-N 1 1 414.496 3.738 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740524 557444113 /nfs/dbraw/zinc/44/41/13/557444113.db2.gz RPICABBINFTRDJ-NZQKXSOJSA-N 1 1 415.553 3.511 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855821 557477581 /nfs/dbraw/zinc/47/75/81/557477581.db2.gz ICJYJTKOMMTDKQ-NRFANRHFSA-N 1 1 411.546 3.819 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855821 557477582 /nfs/dbraw/zinc/47/75/82/557477582.db2.gz ICJYJTKOMMTDKQ-NRFANRHFSA-N 1 1 411.546 3.819 50 0 HHAAMO COc1cc(OC)cc([C@@H](CC(=O)NCc2ccco2)c2c[nH+]c3n2CCCC3)c1 ZINC000034920059 557483242 /nfs/dbraw/zinc/48/32/42/557483242.db2.gz XHGWADXVWSDYQZ-HXUWFJFHSA-N 1 1 409.486 3.668 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000004594160 557570765 /nfs/dbraw/zinc/57/07/65/557570765.db2.gz LMMTXOJCMOEZPN-LJQANCHMSA-N 1 1 401.869 3.688 50 0 HHAAMO O[C@@H](COc1ccccc1CNCc1cc(-c2ccccc2)n[nH]1)C[NH+]1CCCCC1 ZINC000011662318 558266219 /nfs/dbraw/zinc/26/62/19/558266219.db2.gz KWDKYLRHVJNHMX-HSZRJFAPSA-N 1 1 420.557 3.592 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011663392 558267049 /nfs/dbraw/zinc/26/70/49/558267049.db2.gz QIJPFQJNRMLCJF-GOSISDBHSA-N 1 1 416.485 3.568 50 0 HHAAMO Cc1cc(OCc2cc(C(=O)N3CC[NH+](CC4CC4)CC3)no2)cc(C)c1Cl ZINC000011715446 558271749 /nfs/dbraw/zinc/27/17/49/558271749.db2.gz AIKVCMYVNVHGFQ-UHFFFAOYSA-N 1 1 403.910 3.692 50 0 HHAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000011772419 558274505 /nfs/dbraw/zinc/27/45/05/558274505.db2.gz TVKMSMUZINAGJT-CQSZACIVSA-N 1 1 403.876 3.647 50 0 HHAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000011772419 558274506 /nfs/dbraw/zinc/27/45/06/558274506.db2.gz TVKMSMUZINAGJT-CQSZACIVSA-N 1 1 403.876 3.647 50 0 HHAAMO COc1cc(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)cc(OC)c1OC ZINC000011817409 558280629 /nfs/dbraw/zinc/28/06/29/558280629.db2.gz LYWYIFOIURSXPY-GOSISDBHSA-N 1 1 404.551 3.558 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000019773998 558280868 /nfs/dbraw/zinc/28/08/68/558280868.db2.gz JDCDWEDQQHQOHR-SFHVURJKSA-N 1 1 423.586 3.780 50 0 HHAAMO Clc1cccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000019789880 558282162 /nfs/dbraw/zinc/28/21/62/558282162.db2.gz YQTGHPBCPGRIDD-NRFANRHFSA-N 1 1 413.949 3.855 50 0 HHAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000019789880 558282165 /nfs/dbraw/zinc/28/21/65/558282165.db2.gz YQTGHPBCPGRIDD-NRFANRHFSA-N 1 1 413.949 3.855 50 0 HHAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)o1 ZINC000011819162 558282482 /nfs/dbraw/zinc/28/24/82/558282482.db2.gz BFALRJVMXYFOJJ-KRWDZBQOSA-N 1 1 400.548 3.914 50 0 HHAAMO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4nc(C)c(C)nc4C)CC3)on2)c1 ZINC000011839225 558285940 /nfs/dbraw/zinc/28/59/40/558285940.db2.gz JDSDCDWEOLYNOO-UHFFFAOYSA-N 1 1 422.529 3.635 50 0 HHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@@H](C)O2 ZINC000011841873 558287435 /nfs/dbraw/zinc/28/74/35/558287435.db2.gz XPTRGIZHCYWHAA-IBVKSMDESA-N 1 1 422.569 3.940 50 0 HHAAMO COc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(Br)c3)CC2)cc1 ZINC000019832120 558291929 /nfs/dbraw/zinc/29/19/29/558291929.db2.gz QYOACEUGMLEJDD-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(C(C)(C)C)c1 ZINC000019901539 558305068 /nfs/dbraw/zinc/30/50/68/558305068.db2.gz OWPDOJVHMOLWLL-LJQANCHMSA-N 1 1 400.538 3.994 50 0 HHAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012076178 558319929 /nfs/dbraw/zinc/31/99/29/558319929.db2.gz BWPSUWIZTOIOJT-LJQANCHMSA-N 1 1 406.505 3.962 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@H]2COCCO2)c(F)c1 ZINC000012092490 558324471 /nfs/dbraw/zinc/32/44/71/558324471.db2.gz GXGCRHVTYQJWIX-FQEVSTJZSA-N 1 1 411.477 3.534 50 0 HHAAMO CC[NH+]1CCN(CC(=O)c2c(C)n(Cc3ccccc3)c3ccc(OC)cc32)CC1 ZINC000020192513 558344785 /nfs/dbraw/zinc/34/47/85/558344785.db2.gz UAAALTLFXDOSFC-UHFFFAOYSA-N 1 1 405.542 3.827 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2sc(C(=O)NCc3ccccc3)c(C)c21 ZINC000012190749 558347560 /nfs/dbraw/zinc/34/75/60/558347560.db2.gz FYBHQAODWGTILU-QGZVFWFLSA-N 1 1 409.559 3.826 50 0 HHAAMO CCN1CCC([N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212341 558347736 /nfs/dbraw/zinc/34/77/36/558347736.db2.gz RUGMAWYFZRANSR-JOCHJYFZSA-N 1 1 424.555 3.776 50 0 HHAAMO CCN1CCC([N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212341 558347738 /nfs/dbraw/zinc/34/77/38/558347738.db2.gz RUGMAWYFZRANSR-JOCHJYFZSA-N 1 1 424.555 3.776 50 0 HHAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)c1OC ZINC000012192463 558348147 /nfs/dbraw/zinc/34/81/47/558348147.db2.gz ZLROBFLQINHSMG-QGZVFWFLSA-N 1 1 407.514 3.827 50 0 HHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3cc(F)ccc3-n3cccn3)C2)c1 ZINC000012201333 558351496 /nfs/dbraw/zinc/35/14/96/558351496.db2.gz PZOHQFFSBCHYAH-DEOSSOPVSA-N 1 1 409.505 3.837 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 ZINC000012206885 558352981 /nfs/dbraw/zinc/35/29/81/558352981.db2.gz IJPWWTPFLGHENV-QGZVFWFLSA-N 1 1 403.498 3.878 50 0 HHAAMO COc1ccc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000020272272 558353225 /nfs/dbraw/zinc/35/32/25/558353225.db2.gz LQURHVKQVAVTEJ-UHFFFAOYSA-N 1 1 420.937 3.562 50 0 HHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCc4ccccc4)C3)C2=O)c1OC ZINC000020321786 558355379 /nfs/dbraw/zinc/35/53/79/558355379.db2.gz BUBHLRLSKLWNFF-VWLOTQADSA-N 1 1 408.542 3.761 50 0 HHAAMO COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012224771 558356840 /nfs/dbraw/zinc/35/68/40/558356840.db2.gz BGTPLRYIDYHLEI-LJQANCHMSA-N 1 1 406.954 3.718 50 0 HHAAMO COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012224771 558356842 /nfs/dbraw/zinc/35/68/42/558356842.db2.gz BGTPLRYIDYHLEI-LJQANCHMSA-N 1 1 406.954 3.718 50 0 HHAAMO CC[C@H]1C[N@@H+](CCC(=O)N[C@@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012245668 558361526 /nfs/dbraw/zinc/36/15/26/558361526.db2.gz YEXCSVRASVCNKZ-YOEHRIQHSA-N 1 1 403.548 3.701 50 0 HHAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3CCN3CCOCC3)c(C)o2)ccc1F ZINC000020452189 558366251 /nfs/dbraw/zinc/36/62/51/558366251.db2.gz FCPCYMRLYAZMKP-LJQANCHMSA-N 1 1 417.525 3.875 50 0 HHAAMO COCCN(Cc1cccc2nonc21)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012299944 558369769 /nfs/dbraw/zinc/36/97/69/558369769.db2.gz SPEGKZXTZGURJW-IBGZPJMESA-N 1 1 420.557 3.551 50 0 HHAAMO C[C@H]([NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12)c1cnn(-c2ccccc2)c1 ZINC000012305297 558374561 /nfs/dbraw/zinc/37/45/61/558374561.db2.gz CKNZEJMNSFSEJG-INIZCTEOSA-N 1 1 420.542 3.668 50 0 HHAAMO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CSc3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000012307106 558375821 /nfs/dbraw/zinc/37/58/21/558375821.db2.gz DEWOVGGQXHGIGU-SFHVURJKSA-N 1 1 424.570 3.753 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)CSc3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000012307106 558375824 /nfs/dbraw/zinc/37/58/24/558375824.db2.gz DEWOVGGQXHGIGU-SFHVURJKSA-N 1 1 424.570 3.753 50 0 HHAAMO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CSc3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000012307106 558375826 /nfs/dbraw/zinc/37/58/26/558375826.db2.gz DEWOVGGQXHGIGU-SFHVURJKSA-N 1 1 424.570 3.753 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)CSc3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000012307106 558375828 /nfs/dbraw/zinc/37/58/28/558375828.db2.gz DEWOVGGQXHGIGU-SFHVURJKSA-N 1 1 424.570 3.753 50 0 HHAAMO CC(C)CS(=O)(=O)c1ncc(C[N@H+](C)C(C2CC2)C2CC2)n1Cc1ccccc1 ZINC000012316000 558379418 /nfs/dbraw/zinc/37/94/18/558379418.db2.gz HQBLSGJITYYSRI-UHFFFAOYSA-N 1 1 415.603 3.982 50 0 HHAAMO CC(C)CS(=O)(=O)c1ncc(C[N@@H+](C)C(C2CC2)C2CC2)n1Cc1ccccc1 ZINC000012316000 558379420 /nfs/dbraw/zinc/37/94/20/558379420.db2.gz HQBLSGJITYYSRI-UHFFFAOYSA-N 1 1 415.603 3.982 50 0 HHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012316992 558380281 /nfs/dbraw/zinc/38/02/81/558380281.db2.gz NGSVQXLDIUZZGZ-RUJXFNLJSA-N 1 1 404.514 3.727 50 0 HHAAMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000012316992 558380282 /nfs/dbraw/zinc/38/02/82/558380282.db2.gz NGSVQXLDIUZZGZ-RUJXFNLJSA-N 1 1 404.514 3.727 50 0 HHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000012316992 558380283 /nfs/dbraw/zinc/38/02/83/558380283.db2.gz NGSVQXLDIUZZGZ-RUJXFNLJSA-N 1 1 404.514 3.727 50 0 HHAAMO Cn1ncc2c1ncnc2N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020661890 558397801 /nfs/dbraw/zinc/39/78/01/558397801.db2.gz PQEAOOFTUKSTKS-NRFANRHFSA-N 1 1 418.932 3.928 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012434949 558408543 /nfs/dbraw/zinc/40/85/43/558408543.db2.gz KGNWLOPCLXOSPX-FQEVSTJZSA-N 1 1 407.558 3.710 50 0 HHAAMO CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1C ZINC000012458195 558418327 /nfs/dbraw/zinc/41/83/27/558418327.db2.gz QFCKPRYZSNQQJG-FQEVSTJZSA-N 1 1 411.546 3.635 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCCc2ccccc2)C1 ZINC000012578202 558431788 /nfs/dbraw/zinc/43/17/88/558431788.db2.gz NMWAGPXBHSEBKE-QFIPXVFZSA-N 1 1 409.574 3.834 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)Cn3c4ccccc4nc3C(F)(F)F)sc2C1 ZINC000021294358 558435206 /nfs/dbraw/zinc/43/52/06/558435206.db2.gz UWESYVMKQZMMEG-UHFFFAOYSA-N 1 1 409.437 3.528 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)Cn3c4ccccc4nc3C(F)(F)F)sc2C1 ZINC000021294358 558435209 /nfs/dbraw/zinc/43/52/09/558435209.db2.gz UWESYVMKQZMMEG-UHFFFAOYSA-N 1 1 409.437 3.528 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012590926 558435742 /nfs/dbraw/zinc/43/57/42/558435742.db2.gz POZHMRNLSJOKCB-INIZCTEOSA-N 1 1 413.470 3.536 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012590926 558435745 /nfs/dbraw/zinc/43/57/45/558435745.db2.gz POZHMRNLSJOKCB-INIZCTEOSA-N 1 1 413.470 3.536 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccco4)CC3)C2)cc1F ZINC000012597069 558438139 /nfs/dbraw/zinc/43/81/39/558438139.db2.gz BQURPLKOQPMSBZ-SFHVURJKSA-N 1 1 400.494 3.987 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccco4)CC3)C2)cc1F ZINC000012597067 558438231 /nfs/dbraw/zinc/43/82/31/558438231.db2.gz BQURPLKOQPMSBZ-GOSISDBHSA-N 1 1 400.494 3.987 50 0 HHAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)o1 ZINC000021659798 558444914 /nfs/dbraw/zinc/44/49/14/558444914.db2.gz VKDLEVUXNFLJOD-GOSISDBHSA-N 1 1 423.469 3.581 50 0 HHAAMO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012795454 558468477 /nfs/dbraw/zinc/46/84/77/558468477.db2.gz RUYDTABHFINFOX-OAQYLSRUSA-N 1 1 410.514 3.652 50 0 HHAAMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012795454 558468479 /nfs/dbraw/zinc/46/84/79/558468479.db2.gz RUYDTABHFINFOX-OAQYLSRUSA-N 1 1 410.514 3.652 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012803906 558472750 /nfs/dbraw/zinc/47/27/50/558472750.db2.gz GQEMZSNVBWSMCQ-INIZCTEOSA-N 1 1 407.514 3.559 50 0 HHAAMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013040094 558506546 /nfs/dbraw/zinc/50/65/46/558506546.db2.gz QTHZTAADUVNPGZ-UHFFFAOYSA-N 1 1 403.408 3.665 50 0 HHAAMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013040094 558506550 /nfs/dbraw/zinc/50/65/50/558506550.db2.gz QTHZTAADUVNPGZ-UHFFFAOYSA-N 1 1 403.408 3.665 50 0 HHAAMO Cc1cc(C(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c(C)n1C[C@H]1CCCO1 ZINC000022775194 558509387 /nfs/dbraw/zinc/50/93/87/558509387.db2.gz XHGLQXJONVGWJB-HSZRJFAPSA-N 1 1 409.574 3.593 50 0 HHAAMO COc1c(Cl)cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000022892547 558518931 /nfs/dbraw/zinc/51/89/31/558518931.db2.gz OHEGTWCUOSTYAG-UHFFFAOYSA-N 1 1 409.313 3.764 50 0 HHAAMO O=C(CCN1CC[NH+](CCOc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000022932161 558524708 /nfs/dbraw/zinc/52/47/08/558524708.db2.gz SQQYQENNZYRABN-UHFFFAOYSA-N 1 1 403.526 3.865 50 0 HHAAMO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@H+]1CCc1ccccc1 ZINC000022932730 558524887 /nfs/dbraw/zinc/52/48/87/558524887.db2.gz HWASPSPGVHLQBT-QFIPXVFZSA-N 1 1 407.583 3.921 50 0 HHAAMO CCN(CC)C(=O)CN(C)c1nc(C[NH+]2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC000023040828 558531169 /nfs/dbraw/zinc/53/11/69/558531169.db2.gz SQWMBAJXQDWQGC-UHFFFAOYSA-N 1 1 417.623 3.845 50 0 HHAAMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4n[nH]cc43)CC2)cc1 ZINC000023135384 558537261 /nfs/dbraw/zinc/53/72/61/558537261.db2.gz VQYCHMBEIXYWKA-FQEVSTJZSA-N 1 1 404.905 3.918 50 0 HHAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CCCc3c[nH]c4ccccc34)CC2)c1 ZINC000023194207 558541928 /nfs/dbraw/zinc/54/19/28/558541928.db2.gz KSNNUKUQENAARU-UHFFFAOYSA-N 1 1 404.558 3.737 50 0 HHAAMO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000013595272 558546925 /nfs/dbraw/zinc/54/69/25/558546925.db2.gz CAKGVKYJXZPHAI-KRWDZBQOSA-N 1 1 410.440 3.560 50 0 HHAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000013595272 558546926 /nfs/dbraw/zinc/54/69/26/558546926.db2.gz CAKGVKYJXZPHAI-KRWDZBQOSA-N 1 1 410.440 3.560 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361237 558552547 /nfs/dbraw/zinc/55/25/47/558552547.db2.gz YGTIVCXUPNNMTL-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361237 558552549 /nfs/dbraw/zinc/55/25/49/558552549.db2.gz YGTIVCXUPNNMTL-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374980 558554466 /nfs/dbraw/zinc/55/44/66/558554466.db2.gz IFWUGSJUQPQBIB-XMMPIXPASA-N 1 1 401.558 3.863 50 0 HHAAMO c1[nH]nc(-c2ccccc2)c1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000023374980 558554469 /nfs/dbraw/zinc/55/44/69/558554469.db2.gz IFWUGSJUQPQBIB-XMMPIXPASA-N 1 1 401.558 3.863 50 0 HHAAMO Cc1noc(C)c1CSc1ccccc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023804756 558576111 /nfs/dbraw/zinc/57/61/11/558576111.db2.gz MDQJCFRPVPKZJL-GOSISDBHSA-N 1 1 415.559 3.521 50 0 HHAAMO Cc1noc(C)c1COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000024573994 558601417 /nfs/dbraw/zinc/60/14/17/558601417.db2.gz ZKAVUAMWTXGRFB-UHFFFAOYSA-N 1 1 405.498 3.828 50 0 HHAAMO O=C(c1cncc(Br)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014169096 558627075 /nfs/dbraw/zinc/62/70/75/558627075.db2.gz DOLGJCFUVZMEJE-UHFFFAOYSA-N 1 1 410.315 3.955 50 0 HHAAMO O=C(C[NH+]1CCCC1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000025418599 558640409 /nfs/dbraw/zinc/64/04/09/558640409.db2.gz NPDRRZBYLKAIED-IBGZPJMESA-N 1 1 402.420 3.883 50 0 HHAAMO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([N@@H+](C)Cc1ccsc1)CC2 ZINC000014748314 558669943 /nfs/dbraw/zinc/66/99/43/558669943.db2.gz LXDNIZHUYXJBMU-LJQANCHMSA-N 1 1 408.571 3.743 50 0 HHAAMO CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014948436 558680251 /nfs/dbraw/zinc/68/02/51/558680251.db2.gz VXOUDUDNWRLPEQ-NRFANRHFSA-N 1 1 404.510 3.962 50 0 HHAAMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027744285 558681123 /nfs/dbraw/zinc/68/11/23/558681123.db2.gz DSRIORSLQVDQPD-FQEVSTJZSA-N 1 1 415.622 3.818 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC000014962191 558684475 /nfs/dbraw/zinc/68/44/75/558684475.db2.gz DDQMEILYBVEZBR-LJQANCHMSA-N 1 1 412.578 3.579 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000014970140 558687118 /nfs/dbraw/zinc/68/71/18/558687118.db2.gz JHMCTLPZPBIZFH-INIZCTEOSA-N 1 1 403.498 3.878 50 0 HHAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289476 558696115 /nfs/dbraw/zinc/69/61/15/558696115.db2.gz MNSMTSCHRBICTF-NRFANRHFSA-N 1 1 420.509 3.931 50 0 HHAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301216 558731158 /nfs/dbraw/zinc/73/11/58/558731158.db2.gz YSUUHOUILIDDKO-LJQANCHMSA-N 1 1 400.906 3.907 50 0 HHAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015301216 558731160 /nfs/dbraw/zinc/73/11/60/558731160.db2.gz YSUUHOUILIDDKO-LJQANCHMSA-N 1 1 400.906 3.907 50 0 HHAAMO COc1cc2c(cc1CN1CC[NH+](CCOCCO)CC1)oc(C)c2-c1ccccc1 ZINC000022077710 558779041 /nfs/dbraw/zinc/77/90/41/558779041.db2.gz YGXDPORWCUHKEQ-UHFFFAOYSA-N 1 1 424.541 3.543 50 0 HHAAMO COc1cc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)ccc1OC(F)F ZINC000016420799 558790324 /nfs/dbraw/zinc/79/03/24/558790324.db2.gz IOYJUGVWYRNRPM-CYBMUJFWSA-N 1 1 410.486 3.936 50 0 HHAAMO COc1cc(CN(C)C(=O)C[N@H+]2CCc3sccc3[C@H]2C)ccc1OC(F)F ZINC000016420799 558790327 /nfs/dbraw/zinc/79/03/27/558790327.db2.gz IOYJUGVWYRNRPM-CYBMUJFWSA-N 1 1 410.486 3.936 50 0 HHAAMO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987909 558807831 /nfs/dbraw/zinc/80/78/31/558807831.db2.gz YQBZNRCCAMQAOI-KRWDZBQOSA-N 1 1 407.539 3.900 50 0 HHAAMO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000038149286 558811037 /nfs/dbraw/zinc/81/10/37/558811037.db2.gz VSPBXXAVMJANBD-XMMPIXPASA-N 1 1 422.548 3.697 50 0 HHAAMO COc1ccc2[nH]c(C[N@@H+]3CCN(Cc4ccccc4F)[C@H](CCO)C3)c(C)c2c1 ZINC000039499945 558821743 /nfs/dbraw/zinc/82/17/43/558821743.db2.gz RESOFKXCJQGPBV-LJQANCHMSA-N 1 1 411.521 3.693 50 0 HHAAMO COc1ccc2[nH]c(C[N@H+]3CCN(Cc4ccccc4F)[C@H](CCO)C3)c(C)c2c1 ZINC000039499945 558821744 /nfs/dbraw/zinc/82/17/44/558821744.db2.gz RESOFKXCJQGPBV-LJQANCHMSA-N 1 1 411.521 3.693 50 0 HHAAMO COc1cc(CN2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc(OC)c1 ZINC000039519111 558822294 /nfs/dbraw/zinc/82/22/94/558822294.db2.gz IRKBAFQWNKVDAQ-HXUWFJFHSA-N 1 1 423.557 3.562 50 0 HHAAMO COc1cc(CN2CC[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc(OC)c1 ZINC000039519111 558822296 /nfs/dbraw/zinc/82/22/96/558822296.db2.gz IRKBAFQWNKVDAQ-HXUWFJFHSA-N 1 1 423.557 3.562 50 0 HHAAMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@H+]3CCC[C@H](C(N)=O)C3)c(C)nc2c1 ZINC000071862937 558837356 /nfs/dbraw/zinc/83/73/56/558837356.db2.gz HDLQMSQXOINFDY-FQEVSTJZSA-N 1 1 416.525 3.801 50 0 HHAAMO Cc1cccn2c(C[N@H+](C)C[C@H]3Cc4ccccc4O3)c(C(=O)N3CCCCC3)nc12 ZINC000019229183 558853475 /nfs/dbraw/zinc/85/34/75/558853475.db2.gz MVTMEDJGGSLEJJ-HXUWFJFHSA-N 1 1 418.541 3.704 50 0 HHAAMO Cc1cccn2c(C[N@@H+](C)C[C@H]3Cc4ccccc4O3)c(C(=O)N3CCCCC3)nc12 ZINC000019229183 558853477 /nfs/dbraw/zinc/85/34/77/558853477.db2.gz MVTMEDJGGSLEJJ-HXUWFJFHSA-N 1 1 418.541 3.704 50 0 HHAAMO CC(=O)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000055182706 558875386 /nfs/dbraw/zinc/87/53/86/558875386.db2.gz DETJZQXMLAOUAZ-QHCPKHFHSA-N 1 1 405.542 3.624 50 0 HHAAMO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055226539 558876674 /nfs/dbraw/zinc/87/66/74/558876674.db2.gz IIWDWNYHEGFJHI-QFIPXVFZSA-N 1 1 407.514 3.573 50 0 aggregator HHAAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055226539 558876679 /nfs/dbraw/zinc/87/66/79/558876679.db2.gz IIWDWNYHEGFJHI-QFIPXVFZSA-N 1 1 407.514 3.573 50 0 aggregator HHAAMO CO[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055244901 558877247 /nfs/dbraw/zinc/87/72/47/558877247.db2.gz GKFDKSXLDNKBGZ-NRFANRHFSA-N 1 1 420.557 3.568 50 0 HHAAMO CO[C@H]1CCC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055244901 558877249 /nfs/dbraw/zinc/87/72/49/558877249.db2.gz GKFDKSXLDNKBGZ-NRFANRHFSA-N 1 1 420.557 3.568 50 0 HHAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CSc3ccccc3Cl)cc2)C1 ZINC000058300277 558917543 /nfs/dbraw/zinc/91/75/43/558917543.db2.gz YRKXYDMJNFFIQI-INIZCTEOSA-N 1 1 417.962 3.768 50 0 HHAAMO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000058964800 558931157 /nfs/dbraw/zinc/93/11/57/558931157.db2.gz SJQVWOPKGHARHO-GOSISDBHSA-N 1 1 414.571 3.785 50 0 HHAAMO COc1ccc(C(=O)NCCC[N@@H+](C)CCCN(C)Cc2ccccc2)cc1Cl ZINC000059181915 558932293 /nfs/dbraw/zinc/93/22/93/558932293.db2.gz BDBYYNWZMMXJHX-UHFFFAOYSA-N 1 1 417.981 3.922 50 0 HHAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 ZINC000063883245 558960774 /nfs/dbraw/zinc/96/07/74/558960774.db2.gz YDOLEJTVHDJNIT-UHFFFAOYSA-N 1 1 402.502 3.529 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915077 558971650 /nfs/dbraw/zinc/97/16/50/558971650.db2.gz VOYWHIUYUMJRRO-GOSISDBHSA-N 1 1 420.557 3.737 50 0 HHAAMO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 ZINC000067622844 558990013 /nfs/dbraw/zinc/99/00/13/558990013.db2.gz DVSFXORUFKKWRS-UHFFFAOYSA-N 1 1 406.574 3.598 50 0 HHAAMO CCCC1(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CCC1 ZINC000082097450 559037611 /nfs/dbraw/zinc/03/76/11/559037611.db2.gz CQHFJSHXNVEJPR-JOCHJYFZSA-N 1 1 412.622 3.845 50 0 HHAAMO COc1ccc(F)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1F ZINC000095382209 559080519 /nfs/dbraw/zinc/08/05/19/559080519.db2.gz AQUCOOWJQZWALO-DOTOQJQBSA-N 1 1 404.432 3.849 50 0 HHAAMO COc1ccc(F)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1F ZINC000095382209 559080521 /nfs/dbraw/zinc/08/05/21/559080521.db2.gz AQUCOOWJQZWALO-DOTOQJQBSA-N 1 1 404.432 3.849 50 0 HHAAMO Cc1ocnc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499740 559082139 /nfs/dbraw/zinc/08/21/39/559082139.db2.gz RNQDULZYYJXOJV-FQEVSTJZSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1ocnc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095499740 559082141 /nfs/dbraw/zinc/08/21/41/559082141.db2.gz RNQDULZYYJXOJV-FQEVSTJZSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000095530306 559086738 /nfs/dbraw/zinc/08/67/38/559086738.db2.gz VUCRVSURLPIADY-SFHVURJKSA-N 1 1 402.922 3.628 50 0 HHAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 ZINC000096137696 559095560 /nfs/dbraw/zinc/09/55/60/559095560.db2.gz CTXYOGYSEOQXCN-NRFANRHFSA-N 1 1 400.526 3.972 50 0 HHAAMO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000050033538 559178417 /nfs/dbraw/zinc/17/84/17/559178417.db2.gz IJVQQXZDUWCJLA-PKTZIBPZSA-N 1 1 416.512 3.602 50 0 HHAAMO CCOc1ccc2[nH+]cc(C(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1 ZINC000023643438 559178514 /nfs/dbraw/zinc/17/85/14/559178514.db2.gz MGMLJCYQKYDLGV-UHFFFAOYSA-N 1 1 405.498 3.625 50 0 HHAAMO CC[C@H](C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000257198522 559189832 /nfs/dbraw/zinc/18/98/32/559189832.db2.gz BGJGYRYEEYYBGW-NEKRIBJYSA-N 1 1 411.590 3.780 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000004860742 559193072 /nfs/dbraw/zinc/19/30/72/559193072.db2.gz GWSSOODOEXHBJQ-RYUDHWBXSA-N 1 1 422.323 3.776 50 0 HHAAMO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000409413303 559250526 /nfs/dbraw/zinc/25/05/26/559250526.db2.gz JTLPAQMATCDEIG-XLIONFOSSA-N 1 1 400.954 3.962 50 0 HHAAMO CCC[N@@H+](Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1)CC1CC1 ZINC000011819860 559260479 /nfs/dbraw/zinc/26/04/79/559260479.db2.gz FQTLWJJOWHDPCY-UHFFFAOYSA-N 1 1 403.592 3.930 50 0 HHAAMO CCC[N@H+](Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1)CC1CC1 ZINC000011819860 559260480 /nfs/dbraw/zinc/26/04/80/559260480.db2.gz FQTLWJJOWHDPCY-UHFFFAOYSA-N 1 1 403.592 3.930 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000248157319 559265740 /nfs/dbraw/zinc/26/57/40/559265740.db2.gz WAZDEYWLRCMYRY-HBGVWJBISA-N 1 1 411.571 3.649 50 0 HHAAMO O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012002828 559270737 /nfs/dbraw/zinc/27/07/37/559270737.db2.gz VAXIVGWIPSMWAR-QHCPKHFHSA-N 1 1 409.574 3.506 50 0 HHAAMO COc1cccc([C@H](CNc2ccccc2S(=O)(=O)C(F)(F)F)[NH+](C)C)c1 ZINC000046617483 560559659 /nfs/dbraw/zinc/55/96/59/560559659.db2.gz LBYPBXJARLZXNM-INIZCTEOSA-N 1 1 402.438 3.704 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983672 560858892 /nfs/dbraw/zinc/85/88/92/560858892.db2.gz LPXHQSOXPKUHHD-LEWJYISDSA-N 1 1 420.912 3.872 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984256 560858943 /nfs/dbraw/zinc/85/89/43/560858943.db2.gz NTXHCBQLLQWMFO-XZOQPEGZSA-N 1 1 414.521 3.854 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983931 560858949 /nfs/dbraw/zinc/85/89/49/560858949.db2.gz SDYDBWPPZLNUJY-ISKFKSNPSA-N 1 1 420.509 3.853 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982973 560859134 /nfs/dbraw/zinc/85/91/34/560859134.db2.gz RWTSNIIHWPDSRX-LEWJYISDSA-N 1 1 414.521 3.854 50 0 HHAAMO COc1ccc([C@H]2[C@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@H+]2C)cc1 ZINC000106914053 560894588 /nfs/dbraw/zinc/89/45/88/560894588.db2.gz UYCUZMNLVLTQNF-RXVVDRJESA-N 1 1 420.550 3.926 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(-n2nc(C)cc2C)c1)[NH+](C)C ZINC000048301228 568437415 /nfs/dbraw/zinc/43/74/15/568437415.db2.gz MNWABLFJYJVVPI-OAQYLSRUSA-N 1 1 407.518 3.922 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000048373996 568442333 /nfs/dbraw/zinc/44/23/33/568442333.db2.gz ZCGYDLYJBSSASO-BGYRXZFFSA-N 1 1 407.558 3.553 50 0 HHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1OC ZINC000012284675 568458183 /nfs/dbraw/zinc/45/81/83/568458183.db2.gz PNOFSXQWZKTKFS-QGZVFWFLSA-N 1 1 422.485 3.605 50 0 HHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1OC ZINC000012284675 568458184 /nfs/dbraw/zinc/45/81/84/568458184.db2.gz PNOFSXQWZKTKFS-QGZVFWFLSA-N 1 1 422.485 3.605 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007015237 568468639 /nfs/dbraw/zinc/46/86/39/568468639.db2.gz ZEQJDDZUHBOUKY-SGGRRFJASA-N 1 1 400.563 3.652 50 0 HHAAMO CCc1ccccc1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1ccco1 ZINC000020107842 568588359 /nfs/dbraw/zinc/58/83/59/568588359.db2.gz HITQQRWPIDEQMT-UHFFFAOYSA-N 1 1 400.592 3.679 50 0 HHAAMO C[C@@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289226 568597760 /nfs/dbraw/zinc/59/77/60/568597760.db2.gz YPUJCOQXKARFGO-VGOFRKELSA-N 1 1 424.545 3.964 50 0 HHAAMO C[C@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289229 568597901 /nfs/dbraw/zinc/59/79/01/568597901.db2.gz YPUJCOQXKARFGO-HTAPYJJXSA-N 1 1 424.545 3.964 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095397902 568604622 /nfs/dbraw/zinc/60/46/22/568604622.db2.gz MJJZVCSKBBVBJO-IBGZPJMESA-N 1 1 411.502 3.682 50 0 HHAAMO CC[N@@H+]1Cc2cccc(NC(=O)c3cc(Br)c4c(c3)OCCO4)c2C1 ZINC000095464965 568622772 /nfs/dbraw/zinc/62/27/72/568622772.db2.gz YSLAPANNVCZTBQ-UHFFFAOYSA-N 1 1 403.276 3.808 50 0 HHAAMO CC[N@H+]1Cc2cccc(NC(=O)c3cc(Br)c4c(c3)OCCO4)c2C1 ZINC000095464965 568622775 /nfs/dbraw/zinc/62/27/75/568622775.db2.gz YSLAPANNVCZTBQ-UHFFFAOYSA-N 1 1 403.276 3.808 50 0 HHAAMO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977976 568653931 /nfs/dbraw/zinc/65/39/31/568653931.db2.gz ZXZUQTFLEMQGCF-UHFFFAOYSA-N 1 1 423.482 3.576 50 0 HHAAMO C[NH+]1CCN(C(=O)c2ccc(Nc3nccc(-c4cccs4)n3)cc2Cl)CC1 ZINC000095911067 568657872 /nfs/dbraw/zinc/65/78/72/568657872.db2.gz CLDIUVXCUVQLGD-UHFFFAOYSA-N 1 1 413.934 3.990 50 0 in-vitro HHAAMO CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670320 568662469 /nfs/dbraw/zinc/66/24/69/568662469.db2.gz QAUYCIZUAMLZSG-LJQANCHMSA-N 1 1 421.557 3.862 50 0 HHAAMO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000012421906 568720681 /nfs/dbraw/zinc/72/06/81/568720681.db2.gz LQRPGLJCRGJRBQ-NRFANRHFSA-N 1 1 406.526 3.970 50 0 HHAAMO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000012421906 568720685 /nfs/dbraw/zinc/72/06/85/568720685.db2.gz LQRPGLJCRGJRBQ-NRFANRHFSA-N 1 1 406.526 3.970 50 0 HHAAMO COc1ccc(-c2noc(NCC[NH+]3CCN(c4cccc(C)c4C)CC3)n2)cc1 ZINC000021630474 568724969 /nfs/dbraw/zinc/72/49/69/568724969.db2.gz YMRYEYJPDRPCKK-UHFFFAOYSA-N 1 1 407.518 3.596 50 0 HHAAMO O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096943906 568765481 /nfs/dbraw/zinc/76/54/81/568765481.db2.gz JXSQTOCZTPPAFE-YVMONPNESA-N 1 1 424.928 3.821 50 0 HHAAMO CCOc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000022460181 568768530 /nfs/dbraw/zinc/76/85/30/568768530.db2.gz YAMIJFKDDSLKMU-UWJYYQICSA-N 1 1 401.576 3.644 50 0 HHAAMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc2c1OCCO2 ZINC000022619298 568772066 /nfs/dbraw/zinc/77/20/66/568772066.db2.gz IDMMGDXETLDIPF-SFHVURJKSA-N 1 1 416.905 3.687 50 0 HHAAMO CN(C)CC[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261492021 568820414 /nfs/dbraw/zinc/82/04/14/568820414.db2.gz PPLLLWHATPHBKV-UHFFFAOYSA-N 1 1 404.345 3.951 50 0 HHAAMO COc1cccc(NC(=O)[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)c1 ZINC000057024587 568823533 /nfs/dbraw/zinc/82/35/33/568823533.db2.gz LUSWSHSOKBVMNX-OFNKIYASSA-N 1 1 404.466 3.805 50 0 HHAAMO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+]C3C4CC5CC(C4)CC3C5)nc(=O)c2c1C ZINC000057292095 568826087 /nfs/dbraw/zinc/82/60/87/568826087.db2.gz TWFCIJLHLYAKFZ-VQGSXZNQSA-N 1 1 415.559 3.945 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000057331589 568827121 /nfs/dbraw/zinc/82/71/21/568827121.db2.gz UIEWYSKXHVXKLA-INIZCTEOSA-N 1 1 422.554 3.923 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000057331589 568827122 /nfs/dbraw/zinc/82/71/22/568827122.db2.gz UIEWYSKXHVXKLA-INIZCTEOSA-N 1 1 422.554 3.923 50 0 HHAAMO O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000057369487 568829426 /nfs/dbraw/zinc/82/94/26/568829426.db2.gz DIONLWNYBVIUDQ-ZJSXRUAMSA-N 1 1 422.525 3.585 50 0 HHAAMO O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000057369487 568829428 /nfs/dbraw/zinc/82/94/28/568829428.db2.gz DIONLWNYBVIUDQ-ZJSXRUAMSA-N 1 1 422.525 3.585 50 0 HHAAMO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccc(Cl)c2)C1C(=O)OC ZINC000057415035 568833608 /nfs/dbraw/zinc/83/36/08/568833608.db2.gz HMPAZDFROMUKQO-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccc(Cl)c2)C1C(=O)OC ZINC000057415035 568833610 /nfs/dbraw/zinc/83/36/10/568833610.db2.gz HMPAZDFROMUKQO-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000057415035 568833612 /nfs/dbraw/zinc/83/36/12/568833612.db2.gz HMPAZDFROMUKQO-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000057415035 568833613 /nfs/dbraw/zinc/83/36/13/568833613.db2.gz HMPAZDFROMUKQO-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029478 568856745 /nfs/dbraw/zinc/85/67/45/568856745.db2.gz ANQGDDDVWITBLK-DNVCBOLYSA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029478 568856747 /nfs/dbraw/zinc/85/67/47/568856747.db2.gz 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Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000015681643 568968098 /nfs/dbraw/zinc/96/80/98/568968098.db2.gz CKMVAMCFAFFNPL-QGZVFWFLSA-N 1 1 409.509 3.715 50 0 HHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008092419 568973402 /nfs/dbraw/zinc/97/34/02/568973402.db2.gz FJPWBXUXTJWMIK-MRXNPFEDSA-N 1 1 421.463 3.931 50 0 HHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008092419 568973404 /nfs/dbraw/zinc/97/34/04/568973404.db2.gz FJPWBXUXTJWMIK-MRXNPFEDSA-N 1 1 421.463 3.931 50 0 HHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008307167 568988377 /nfs/dbraw/zinc/98/83/77/568988377.db2.gz GDVNKABAGGTBRN-OAHLLOKOSA-N 1 1 411.571 3.617 50 0 HHAAMO CCc1cc([C@H](c2ccncc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546457 569000219 /nfs/dbraw/zinc/00/02/19/569000219.db2.gz XJYAQLSDZBQRRU-FQEVSTJZSA-N 1 1 410.543 3.888 50 0 HHAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)cc(Cl)c1OC 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ANHWBXJSMVGKEL-UHFFFAOYSA-N 1 1 403.482 3.566 50 0 HHAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2ccccc2OC)CC1 ZINC000035579726 569046119 /nfs/dbraw/zinc/04/61/19/569046119.db2.gz GIZCHQMYAMGFQW-NRFANRHFSA-N 1 1 405.542 3.873 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000089272182 569053865 /nfs/dbraw/zinc/05/38/65/569053865.db2.gz JBYNMQRWNBWKCN-HOTGVXAUSA-N 1 1 416.522 3.870 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000089272182 569053866 /nfs/dbraw/zinc/05/38/66/569053866.db2.gz JBYNMQRWNBWKCN-HOTGVXAUSA-N 1 1 416.522 3.870 50 0 HHAAMO COc1ccccc1[C@@H](CC(=O)NCCC[NH+]1CCOCC1)c1c[nH]c2ccccc21 ZINC000035908347 569065426 /nfs/dbraw/zinc/06/54/26/569065426.db2.gz GBGMMTRXKLRIRN-OAQYLSRUSA-N 1 1 421.541 3.537 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4onc5c4CCCC5)C3)C2)c1 ZINC000426374295 569072558 /nfs/dbraw/zinc/07/25/58/569072558.db2.gz PDODLUYRLKEKRO-DEOSSOPVSA-N 1 1 409.530 3.690 50 0 HHAAMO O=C(c1ccc2n[nH]nc2c1)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000426599508 569073609 /nfs/dbraw/zinc/07/36/09/569073609.db2.gz GBDKTBXCBIXLRO-XMMPIXPASA-N 1 1 403.530 3.519 50 0 HHAAMO O=C(c1ccc2[nH]nnc2c1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426599508 569073610 /nfs/dbraw/zinc/07/36/10/569073610.db2.gz GBDKTBXCBIXLRO-XMMPIXPASA-N 1 1 403.530 3.519 50 0 HHAAMO O=C(c1ccc2[nH]nnc2c1)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000426599508 569073611 /nfs/dbraw/zinc/07/36/11/569073611.db2.gz GBDKTBXCBIXLRO-XMMPIXPASA-N 1 1 403.530 3.519 50 0 HHAAMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000036095287 569089863 /nfs/dbraw/zinc/08/98/63/569089863.db2.gz PAWORNMZZRBLRK-SIKLNZKXSA-N 1 1 405.922 3.770 50 0 HHAAMO COCCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095943 569089969 /nfs/dbraw/zinc/08/99/69/569089969.db2.gz RAKXNOXHRSLQMM-LJQANCHMSA-N 1 1 423.937 3.636 50 0 HHAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801024 569096869 /nfs/dbraw/zinc/09/68/69/569096869.db2.gz SHCNLPVAGKAUON-UHFFFAOYSA-N 1 1 403.486 3.926 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145879 569098501 /nfs/dbraw/zinc/09/85/01/569098501.db2.gz AIYOBMFCLXFDOX-SFTDATJTSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145879 569098502 /nfs/dbraw/zinc/09/85/02/569098502.db2.gz AIYOBMFCLXFDOX-SFTDATJTSA-N 1 1 414.521 3.997 50 0 HHAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)c1 ZINC000064817990 569101224 /nfs/dbraw/zinc/10/12/24/569101224.db2.gz BMZHTNJWEHLGOG-UHFFFAOYSA-N 1 1 419.569 3.793 50 0 HHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)CC(C)C ZINC000036313160 569133213 /nfs/dbraw/zinc/13/32/13/569133213.db2.gz LYRIKLAXRXNPNE-MRXNPFEDSA-N 1 1 409.596 3.600 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)CC(C)C ZINC000036313160 569133215 /nfs/dbraw/zinc/13/32/15/569133215.db2.gz LYRIKLAXRXNPNE-MRXNPFEDSA-N 1 1 409.596 3.600 50 0 HHAAMO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2o1 ZINC000064968382 569138057 /nfs/dbraw/zinc/13/80/57/569138057.db2.gz HXKHPWNRSGFWED-UHFFFAOYSA-N 1 1 420.557 3.889 50 0 HHAAMO Cc1ccc(C)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](C)CC2)c1 ZINC000036344563 569142670 /nfs/dbraw/zinc/14/26/70/569142670.db2.gz BFVRQDAEBCGMMT-HSZRJFAPSA-N 1 1 424.976 3.882 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989190 569145914 /nfs/dbraw/zinc/14/59/14/569145914.db2.gz ISEFKLILZCHDTP-LJQANCHMSA-N 1 1 407.562 3.738 50 0 HHAAMO CN(C)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC000065184150 569191221 /nfs/dbraw/zinc/19/12/21/569191221.db2.gz AMVLDGBJNVAYIB-UHFFFAOYSA-N 1 1 423.492 3.760 50 0 HHAAMO CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCCC4)cs3)CC2)cc1 ZINC000065200004 569193617 /nfs/dbraw/zinc/19/36/17/569193617.db2.gz CHRIYNUEAXZIJC-UHFFFAOYSA-N 1 1 412.603 3.999 50 0 HHAAMO O=C(Cc1cccc(Cl)c1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200506 569193804 /nfs/dbraw/zinc/19/38/04/569193804.db2.gz RFMQNQCGELWLGZ-UHFFFAOYSA-N 1 1 418.994 3.674 50 0 HHAAMO COc1cc(CNC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccccc2)C3)cc(OC)c1 ZINC000065210871 569196172 /nfs/dbraw/zinc/19/61/72/569196172.db2.gz AHAGKDVMYFNONY-UHFFFAOYSA-N 1 1 419.525 3.531 50 0 HHAAMO COc1cc(CNC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccccc2)C3)cc(OC)c1 ZINC000065210871 569196173 /nfs/dbraw/zinc/19/61/73/569196173.db2.gz AHAGKDVMYFNONY-UHFFFAOYSA-N 1 1 419.525 3.531 50 0 HHAAMO COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)Nc4ccccc4OC)n3C)C2)c1 ZINC000065210963 569196290 /nfs/dbraw/zinc/19/62/90/569196290.db2.gz MEBKPOIIPBRRPH-UHFFFAOYSA-N 1 1 405.498 3.853 50 0 HHAAMO COc1cccc(C[N@H+]2CCc3c(cc(C(=O)Nc4ccccc4OC)n3C)C2)c1 ZINC000065210963 569196292 /nfs/dbraw/zinc/19/62/92/569196292.db2.gz MEBKPOIIPBRRPH-UHFFFAOYSA-N 1 1 405.498 3.853 50 0 HHAAMO Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCOCC3)no2)cc1F ZINC000065255097 569207615 /nfs/dbraw/zinc/20/76/15/569207615.db2.gz KRUKDQJBNFSGBO-UHFFFAOYSA-N 1 1 407.449 3.533 50 0 HHAAMO FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NCCC[NH+]2CCOCC2)n1 ZINC000036614004 569209400 /nfs/dbraw/zinc/20/94/00/569209400.db2.gz FTYVKEMQRCGBRB-UHFFFAOYSA-N 1 1 400.832 3.950 50 0 HHAAMO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000007109273 569221435 /nfs/dbraw/zinc/22/14/35/569221435.db2.gz VOJAVAWZNSAPFK-UHFFFAOYSA-N 1 1 414.358 3.936 50 0 HHAAMO O=C(COc1ccc2ccccc2c1)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699914 569222463 /nfs/dbraw/zinc/22/24/63/569222463.db2.gz PRCMHSMHQGHYQW-DEOSSOPVSA-N 1 1 404.510 3.798 50 0 HHAAMO O=C(COc1ccc2ccccc2c1)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699914 569222464 /nfs/dbraw/zinc/22/24/64/569222464.db2.gz PRCMHSMHQGHYQW-DEOSSOPVSA-N 1 1 404.510 3.798 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065512510 569233239 /nfs/dbraw/zinc/23/32/39/569233239.db2.gz LRKYTJGKSXCYDT-PMACEKPBSA-N 1 1 413.512 3.820 50 0 HHAAMO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000007362283 569235486 /nfs/dbraw/zinc/23/54/86/569235486.db2.gz YVIUSDOXGOQGRL-HXUWFJFHSA-N 1 1 412.555 3.975 50 0 HHAAMO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000007362283 569235487 /nfs/dbraw/zinc/23/54/87/569235487.db2.gz YVIUSDOXGOQGRL-HXUWFJFHSA-N 1 1 412.555 3.975 50 0 HHAAMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170597465 569242087 /nfs/dbraw/zinc/24/20/87/569242087.db2.gz KIDNJHVEOHEFJF-NRFANRHFSA-N 1 1 417.594 3.906 50 0 HHAAMO Cc1cc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000089600668 569261100 /nfs/dbraw/zinc/26/11/00/569261100.db2.gz QTUOORRDNNQJTL-UHFFFAOYSA-N 1 1 421.932 3.527 50 0 HHAAMO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000089761624 569263537 /nfs/dbraw/zinc/26/35/37/569263537.db2.gz PUNHDKQWQBPEAM-MAUKXSAKSA-N 1 1 403.573 3.723 50 0 HHAAMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089905832 569268339 /nfs/dbraw/zinc/26/83/39/569268339.db2.gz RXXDJDHNPGKHFG-GHMZBOCLSA-N 1 1 413.827 3.551 50 0 HHAAMO Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000016993954 569270794 /nfs/dbraw/zinc/27/07/94/569270794.db2.gz RLPAASODCTZIPH-QFIPXVFZSA-N 1 1 423.557 3.520 50 0 HHAAMO Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c(C)c1 ZINC000016993954 569270795 /nfs/dbraw/zinc/27/07/95/569270795.db2.gz RLPAASODCTZIPH-QFIPXVFZSA-N 1 1 423.557 3.520 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 ZINC000007742499 569306032 /nfs/dbraw/zinc/30/60/32/569306032.db2.gz CWDLXBASADAVGC-QFIPXVFZSA-N 1 1 407.514 3.681 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 ZINC000007742499 569306033 /nfs/dbraw/zinc/30/60/33/569306033.db2.gz CWDLXBASADAVGC-QFIPXVFZSA-N 1 1 407.514 3.681 50 0 HHAAMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000253369601 569364794 /nfs/dbraw/zinc/36/47/94/569364794.db2.gz FLBPPPZJVZBPKC-DHIUTWEWSA-N 1 1 423.557 3.691 50 0 HHAAMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000253425774 569368223 /nfs/dbraw/zinc/36/82/23/569368223.db2.gz DTZVAFOCMYEDCG-FQEVSTJZSA-N 1 1 410.518 3.700 50 0 HHAAMO C[S@@](=O)CCN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000078969629 569422418 /nfs/dbraw/zinc/42/24/18/569422418.db2.gz BBWZZWFLELPDEG-LJAQVGFWSA-N 1 1 420.569 3.873 50 0 HHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c(=O)c2C1 ZINC000067291816 571068129 /nfs/dbraw/zinc/06/81/29/571068129.db2.gz HLXAGCUPGYUVIO-UHFFFAOYSA-N 1 1 406.939 3.643 50 0 HHAAMO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C(c1ccccc1)c1ccccc1 ZINC000040062845 571147612 /nfs/dbraw/zinc/14/76/12/571147612.db2.gz YISROVWITLKXQC-UHFFFAOYSA-N 1 1 414.553 3.842 50 0 HHAAMO CC[C@](C)(CNC(=O)Nc1ccccc1SCC(F)(F)F)[NH+]1CCOCC1 ZINC000040104419 571165217 /nfs/dbraw/zinc/16/52/17/571165217.db2.gz SRUUOFSFDXSMRS-QGZVFWFLSA-N 1 1 405.486 3.963 50 0 HHAAMO Cc1cc(NC(=O)CSCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000040115615 571173292 /nfs/dbraw/zinc/17/32/92/571173292.db2.gz JOHHMXWRWWUASS-OAHLLOKOSA-N 1 1 416.547 3.525 50 0 HHAAMO CC[C@H](C)c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000040149714 571196920 /nfs/dbraw/zinc/19/69/20/571196920.db2.gz ILTAJVSTQKKARZ-SFHVURJKSA-N 1 1 402.560 3.511 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328880 571225391 /nfs/dbraw/zinc/22/53/91/571225391.db2.gz QNFNKYWEFPREMI-OFNKIYASSA-N 1 1 413.537 3.567 50 0 HHAAMO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)C(C)C)cc1 ZINC000009517096 571265280 /nfs/dbraw/zinc/26/52/80/571265280.db2.gz KDGFIOQNZNVWRZ-JRFVFWCSSA-N 1 1 419.569 3.892 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000009577987 571270026 /nfs/dbraw/zinc/27/00/26/571270026.db2.gz BVEVWALNDQRAAK-FQEVSTJZSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000009577987 571270027 /nfs/dbraw/zinc/27/00/27/571270027.db2.gz BVEVWALNDQRAAK-FQEVSTJZSA-N 1 1 423.513 3.950 50 0 HHAAMO OCC1(C[C@@H]2CCCCO2)CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000011775520 962187128 /nfs/dbraw/zinc/18/71/28/962187128.db2.gz ALMYGAADXBDJAR-SFHVURJKSA-N 1 1 405.926 3.924 50 0 HHAAMO C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccccc4C(F)(F)F)N4CCC[C@@]34C2=O)CC1 ZINC000011816722 962198084 /nfs/dbraw/zinc/19/80/84/962198084.db2.gz BMUFMCCPAAOOCS-ZRCAFCQKSA-N 1 1 407.480 3.537 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000011820069 962199024 /nfs/dbraw/zinc/19/90/24/962199024.db2.gz DOMJLOCFGVMPJJ-VWLOTQADSA-N 1 1 421.541 3.707 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000011820069 962199043 /nfs/dbraw/zinc/19/90/43/962199043.db2.gz DOMJLOCFGVMPJJ-VWLOTQADSA-N 1 1 421.541 3.707 50 0 HHAAMO COC(=O)c1ccc(CN2CC[N@H+]([C@@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 ZINC000011909245 962207153 /nfs/dbraw/zinc/20/71/53/962207153.db2.gz IYDGCZIUUHIJQP-IBGZPJMESA-N 1 1 424.541 3.537 50 0 HHAAMO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000012054824 962229947 /nfs/dbraw/zinc/22/99/47/962229947.db2.gz WFYLTHKFLRXRSB-JOCHJYFZSA-N 1 1 404.457 3.833 50 0 HHAAMO COC1CCN(Cc2cc(Cl)ccc2OC[C@H](O)C[NH+]2CCCCCC2)CC1 ZINC000012373516 962274120 /nfs/dbraw/zinc/27/41/20/962274120.db2.gz DIMJSCUULTYOQA-HXUWFJFHSA-N 1 1 410.986 3.567 50 0 HHAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463579 962283976 /nfs/dbraw/zinc/28/39/76/962283976.db2.gz QFZXDRNGHJGDHT-XMMPIXPASA-N 1 1 405.521 3.895 50 0 HHAAMO Fc1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463579 962283996 /nfs/dbraw/zinc/28/39/96/962283996.db2.gz QFZXDRNGHJGDHT-XMMPIXPASA-N 1 1 405.521 3.895 50 0 HHAAMO Fc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463579 962284017 /nfs/dbraw/zinc/28/40/17/962284017.db2.gz QFZXDRNGHJGDHT-XMMPIXPASA-N 1 1 405.521 3.895 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000015078800 962651234 /nfs/dbraw/zinc/65/12/34/962651234.db2.gz UQELNZLKSSJIQV-HXUWFJFHSA-N 1 1 418.497 3.714 50 0 HHAAMO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([N@H+](C)Cc1cscn1)C3 ZINC000020450585 963389007 /nfs/dbraw/zinc/38/90/07/963389007.db2.gz DGKIKHVTBQZXSG-HNNXBMFYSA-N 1 1 402.589 3.950 50 0 HHAAMO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([N@@H+](C)Cc1cscn1)C3 ZINC000020450585 963389017 /nfs/dbraw/zinc/38/90/17/963389017.db2.gz DGKIKHVTBQZXSG-HNNXBMFYSA-N 1 1 402.589 3.950 50 0 HHAAMO C[N@H+]1CC[C@@](C)(CNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 ZINC000020775089 963395160 /nfs/dbraw/zinc/39/51/60/963395160.db2.gz NCLXFORXVHNPKV-NRFANRHFSA-N 1 1 416.953 3.584 50 0 HHAAMO COCCOc1cccc(C=Cc2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000089420214 969037642 /nfs/dbraw/zinc/03/76/42/969037642.db2.gz DWBAPQJQLOVWCE-ZHACJKMWSA-N 1 1 417.509 3.936 50 0 HHAAMO COCCOc1cccc(C=Cc2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000089420214 969037654 /nfs/dbraw/zinc/03/76/54/969037654.db2.gz DWBAPQJQLOVWCE-ZHACJKMWSA-N 1 1 417.509 3.936 50 0 HHAAMO CNC(=O)c1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000096997529 969076889 /nfs/dbraw/zinc/07/68/89/969076889.db2.gz NBOQPMZRCXUZFU-JYRVWZFOSA-N 1 1 405.542 3.527 50 0 HHAAMO C[N@@H+](CCCNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)Cc1ccccc1 ZINC000098004000 969184543 /nfs/dbraw/zinc/18/45/43/969184543.db2.gz SHVQWBGJQBZICG-YPKPFQOOSA-N 1 1 419.569 3.577 50 0 HHAAMO COc1ccc(CN2CC[N@H+](C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c(F)c1 ZINC000104460938 969201714 /nfs/dbraw/zinc/20/17/14/969201714.db2.gz XCFGTCMPOKXCJK-OVQSOENLSA-N 1 1 402.554 3.528 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCCCC3)C2)cnn1C ZINC000169774379 970478370 /nfs/dbraw/zinc/47/83/70/970478370.db2.gz SHYTZDVPQMAVLJ-HXUWFJFHSA-N 1 1 410.562 3.646 50 0 HHAAMO Cc1noc([C@@]23C[N@@H+](CCc4ccccc4)C[C@@H]2CCN(CCc2ccccc2)C3)n1 ZINC000257188228 970622211 /nfs/dbraw/zinc/62/22/11/970622211.db2.gz DRZYGYKDJVITSL-AHWVRZQESA-N 1 1 416.569 3.739 50 0 HHAAMO COCc1cn(C[C@H]2CCC[N@@H+](Cc3cn(C(C)C)c4ccc(OC)cc34)C2)nn1 ZINC000257192201 970625019 /nfs/dbraw/zinc/62/50/19/970625019.db2.gz QIZVZYXMTFIVLB-SFHVURJKSA-N 1 1 411.550 3.881 50 0 HHAAMO CCOc1ccc2nc(N3CCC([N@H+]4CCC[C@H]4c4nonc4C)CC3)nc(C)c2c1 ZINC000299780499 970723383 /nfs/dbraw/zinc/72/33/83/970723383.db2.gz APRBHPGHYXUFNO-NRFANRHFSA-N 1 1 422.533 3.834 50 0 HHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1Cl ZINC000012516978 132361432 /nfs/dbraw/zinc/36/14/32/132361432.db2.gz GFGSPJZNYBVTBC-INIZCTEOSA-N 1 1 417.937 3.644 50 0 HHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1Cl ZINC000012516978 132361433 /nfs/dbraw/zinc/36/14/33/132361433.db2.gz GFGSPJZNYBVTBC-INIZCTEOSA-N 1 1 417.937 3.644 50 0 HHAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(COc5ccc(OC)cc5)nc4c23)C1 ZINC000020548648 519863723 /nfs/dbraw/zinc/86/37/23/519863723.db2.gz TXYNMWGVNZCZQR-UHFFFAOYSA-N 1 1 409.515 3.695 50 0 HHAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(COc5ccc(OC)cc5)nc4c23)C1 ZINC000020548648 519863724 /nfs/dbraw/zinc/86/37/24/519863724.db2.gz TXYNMWGVNZCZQR-UHFFFAOYSA-N 1 1 409.515 3.695 50 0 HHAAMO COc1ccc(-c2cc3ccc(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)cc3oc2=O)cc1 ZINC000020588652 523120717 /nfs/dbraw/zinc/12/07/17/523120717.db2.gz KHQNIAKOOPMYBW-IAGOWNOFSA-N 1 1 409.482 3.957 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032905341 523941365 /nfs/dbraw/zinc/94/13/65/523941365.db2.gz HLVSBLDJJHWHFA-QGZVFWFLSA-N 1 1 413.518 3.532 50 0 HHAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020599109 524408664 /nfs/dbraw/zinc/40/86/64/524408664.db2.gz OFRZCWUFJFPXLL-HXUWFJFHSA-N 1 1 421.545 3.755 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NC[C@@H](C)[NH+]3CCN(c4ccccc4)CC3)cs2)o1 ZINC000032728246 525807651 /nfs/dbraw/zinc/80/76/51/525807651.db2.gz ZXRYOOBLUNUEBX-QGZVFWFLSA-N 1 1 424.570 3.581 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000043000163 526256487 /nfs/dbraw/zinc/25/64/87/526256487.db2.gz CIAVUDHLEUWCPN-XMMPIXPASA-N 1 1 418.585 3.805 50 0 HHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(Cl)cc1Cl ZINC000044889937 527002240 /nfs/dbraw/zinc/00/22/40/527002240.db2.gz KVMXJSGLCRJJIS-UHFFFAOYSA-N 1 1 411.285 3.950 50 0 HHAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)c1 ZINC000048353773 527691489 /nfs/dbraw/zinc/69/14/89/527691489.db2.gz VCKGLSUGVPVTCC-UHFFFAOYSA-N 1 1 405.424 3.850 50 0 HHAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)c1 ZINC000048353773 527691490 /nfs/dbraw/zinc/69/14/90/527691490.db2.gz VCKGLSUGVPVTCC-UHFFFAOYSA-N 1 1 405.424 3.850 50 0 HHAAMO COc1cc(OC)cc(-c2onc(C)c2C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000022634085 557300068 /nfs/dbraw/zinc/30/00/68/557300068.db2.gz NFFGMCMZKPJIEI-OAHLLOKOSA-N 1 1 401.507 3.662 50 0 HHAAMO COc1ccccc1C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 ZINC000034681528 557382984 /nfs/dbraw/zinc/38/29/84/557382984.db2.gz GSOQRZKTKTZGOO-UHFFFAOYSA-N 1 1 420.488 3.804 50 0 HHAAMO C[NH+](C)CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1 ZINC000003256302 557465418 /nfs/dbraw/zinc/46/54/18/557465418.db2.gz MUGSZQXGGKYMHQ-UHFFFAOYSA-N 1 1 405.907 3.801 50 0 HHAAMO CCCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855777 557477136 /nfs/dbraw/zinc/47/71/36/557477136.db2.gz IFKXPWWPXNSGDD-UZUQRXQVSA-N 1 1 411.546 3.901 50 0 HHAAMO CCCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855777 557477139 /nfs/dbraw/zinc/47/71/39/557477139.db2.gz IFKXPWWPXNSGDD-UZUQRXQVSA-N 1 1 411.546 3.901 50 0 HHAAMO Cc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)cc1C ZINC000035378053 557533591 /nfs/dbraw/zinc/53/35/91/557533591.db2.gz BPDFZTGDZQYSBX-BJKOFHAPSA-N 1 1 413.521 3.814 50 0 HHAAMO C[NH+]1CCN(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000004866624 557608226 /nfs/dbraw/zinc/60/82/26/557608226.db2.gz JVSUHPBHWRSSOQ-UHFFFAOYSA-N 1 1 423.520 3.856 50 0 HHAAMO COc1ccc(-n2cc(C[N@@H+](C)C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661376 558265283 /nfs/dbraw/zinc/26/52/83/558265283.db2.gz TUIFMNBMCWMSSX-JOCHJYFZSA-N 1 1 411.477 3.534 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011843688 558288513 /nfs/dbraw/zinc/28/85/13/558288513.db2.gz WZHHYVUZZVLARD-QHCPKHFHSA-N 1 1 403.494 3.669 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842053 558294286 /nfs/dbraw/zinc/29/42/86/558294286.db2.gz UNWXPWPWYIOSRQ-NRFANRHFSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842053 558294290 /nfs/dbraw/zinc/29/42/90/558294290.db2.gz UNWXPWPWYIOSRQ-NRFANRHFSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000011934118 558298712 /nfs/dbraw/zinc/29/87/12/558298712.db2.gz ZAGAYOJZYQAPMC-QFIPXVFZSA-N 1 1 403.906 3.895 50 0 HHAAMO COC[C@H]1CC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011935131 558299227 /nfs/dbraw/zinc/29/92/27/558299227.db2.gz QDFDPXFDEBKOFI-KRWDZBQOSA-N 1 1 418.969 3.862 50 0 HHAAMO COC[C@H]1CC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011935131 558299229 /nfs/dbraw/zinc/29/92/29/558299229.db2.gz QDFDPXFDEBKOFI-KRWDZBQOSA-N 1 1 418.969 3.862 50 0 HHAAMO C[C@H](NC(=O)CC[N@@H+]1Cc2ccccc2O[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000012028129 558310377 /nfs/dbraw/zinc/31/03/77/558310377.db2.gz LEVBHEHWBXAUTO-MOPGFXCFSA-N 1 1 404.514 3.723 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012037961 558312406 /nfs/dbraw/zinc/31/24/06/558312406.db2.gz DJCLUIPQOMNOFA-INIZCTEOSA-N 1 1 410.543 3.679 50 0 HHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 ZINC000012058632 558316833 /nfs/dbraw/zinc/31/68/33/558316833.db2.gz CWSRJSIHKQQKIE-RUZDIDTESA-N 1 1 411.590 3.637 50 0 HHAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012074076 558318948 /nfs/dbraw/zinc/31/89/48/558318948.db2.gz XUDIKEJMTAXSHT-OAQYLSRUSA-N 1 1 402.498 3.926 50 0 HHAAMO COc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)c(OC)c1OC ZINC000012112032 558326380 /nfs/dbraw/zinc/32/63/80/558326380.db2.gz RTVCQUTZMWCGFS-UXSWERMXSA-N 1 1 408.498 3.655 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117833 558336809 /nfs/dbraw/zinc/33/68/09/558336809.db2.gz QLFGVQRIYTUAGX-HSZRJFAPSA-N 1 1 407.558 3.568 50 0 HHAAMO COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117833 558336812 /nfs/dbraw/zinc/33/68/12/558336812.db2.gz QLFGVQRIYTUAGX-HSZRJFAPSA-N 1 1 407.558 3.568 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC(=O)N(Cc3cccc(C)c3)CC2)cc1 ZINC000012246451 558361615 /nfs/dbraw/zinc/36/16/15/558361615.db2.gz NLFNUAYWIHJGHM-UHFFFAOYSA-N 1 1 404.514 3.628 50 0 HHAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@H]3CCN3CCOCC3)c(C)o2)ccc1F ZINC000020452191 558366346 /nfs/dbraw/zinc/36/63/46/558366346.db2.gz FCPCYMRLYAZMKP-IBGZPJMESA-N 1 1 417.525 3.875 50 0 HHAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000012313847 558377266 /nfs/dbraw/zinc/37/72/66/558377266.db2.gz OWMBFJWUVCBSJP-LJQANCHMSA-N 1 1 418.651 3.615 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000012313847 558377268 /nfs/dbraw/zinc/37/72/68/558377268.db2.gz OWMBFJWUVCBSJP-LJQANCHMSA-N 1 1 418.651 3.615 50 0 HHAAMO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cccc5c4OCO5)CC3)on2)c1 ZINC000012315794 558379151 /nfs/dbraw/zinc/37/91/51/558379151.db2.gz NWUYPIGDAYWNEU-UHFFFAOYSA-N 1 1 422.481 3.649 50 0 HHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012316991 558380208 /nfs/dbraw/zinc/38/02/08/558380208.db2.gz NGSVQXLDIUZZGZ-HKMNZKMDSA-N 1 1 404.514 3.727 50 0 HHAAMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000012316991 558380211 /nfs/dbraw/zinc/38/02/11/558380211.db2.gz NGSVQXLDIUZZGZ-HKMNZKMDSA-N 1 1 404.514 3.727 50 0 HHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc32)C1 ZINC000012316991 558380214 /nfs/dbraw/zinc/38/02/14/558380214.db2.gz NGSVQXLDIUZZGZ-HKMNZKMDSA-N 1 1 404.514 3.727 50 0 HHAAMO O=C(CCc1[nH]nc2c1CCCC2)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317242 558380377 /nfs/dbraw/zinc/38/03/77/558380377.db2.gz GCLQEYLVXUWEGL-SFHVURJKSA-N 1 1 400.954 3.655 50 0 HHAAMO O=C(CCc1[nH]nc2c1CCCC2)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317242 558380380 /nfs/dbraw/zinc/38/03/80/558380380.db2.gz GCLQEYLVXUWEGL-SFHVURJKSA-N 1 1 400.954 3.655 50 0 HHAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534143 558385620 /nfs/dbraw/zinc/38/56/20/558385620.db2.gz YFPTWHYSRQMSGA-HXUWFJFHSA-N 1 1 411.937 3.663 50 0 HHAAMO Clc1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534143 558385623 /nfs/dbraw/zinc/38/56/23/558385623.db2.gz YFPTWHYSRQMSGA-HXUWFJFHSA-N 1 1 411.937 3.663 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000012373205 558390645 /nfs/dbraw/zinc/39/06/45/558390645.db2.gz LXXJMZCPDFQMNN-CQSZACIVSA-N 1 1 406.885 3.835 50 0 HHAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000020783241 558413262 /nfs/dbraw/zinc/41/32/62/558413262.db2.gz SUGMUYSUAOYNJP-HNNXBMFYSA-N 1 1 401.532 3.637 50 0 HHAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000020783241 558413263 /nfs/dbraw/zinc/41/32/63/558413263.db2.gz SUGMUYSUAOYNJP-HNNXBMFYSA-N 1 1 401.532 3.637 50 0 HHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012446509 558414233 /nfs/dbraw/zinc/41/42/33/558414233.db2.gz WHTMGJUVXFJUEF-QGZVFWFLSA-N 1 1 400.486 3.599 50 0 HHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012446509 558414236 /nfs/dbraw/zinc/41/42/36/558414236.db2.gz WHTMGJUVXFJUEF-QGZVFWFLSA-N 1 1 400.486 3.599 50 0 HHAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 ZINC000012588182 558434931 /nfs/dbraw/zinc/43/49/31/558434931.db2.gz HGZSBEBWQAVVOI-KRWDZBQOSA-N 1 1 413.518 3.502 50 0 HHAAMO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795213 558449597 /nfs/dbraw/zinc/44/95/97/558449597.db2.gz SJYAAPPAOFZVPA-UHFFFAOYSA-N 1 1 408.550 3.746 50 0 HHAAMO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)c(=O)[nH]1 ZINC000012712675 558453501 /nfs/dbraw/zinc/45/35/01/558453501.db2.gz ZBCUHANVBOGLOF-VWLOTQADSA-N 1 1 407.558 3.553 50 0 HHAAMO CC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000012714079 558454344 /nfs/dbraw/zinc/45/43/44/558454344.db2.gz UJQCWYGHRSOCJR-DEOSSOPVSA-N 1 1 403.611 3.530 50 0 HHAAMO COCc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000012717760 558455730 /nfs/dbraw/zinc/45/57/30/558455730.db2.gz ASKWYPXFBXZFND-IBGZPJMESA-N 1 1 413.514 3.954 50 0 HHAAMO COCCN(Cc1cccc2c1OCO2)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012747814 558458687 /nfs/dbraw/zinc/45/86/87/558458687.db2.gz URWOTCHWTXYHFU-HXUWFJFHSA-N 1 1 422.569 3.743 50 0 HHAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000022025283 558458762 /nfs/dbraw/zinc/45/87/62/558458762.db2.gz ITSCPJOCGIPERZ-LJQANCHMSA-N 1 1 422.529 3.811 50 0 HHAAMO O=C(CSc1nc2ccccc2s1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022133939 558464148 /nfs/dbraw/zinc/46/41/48/558464148.db2.gz FQTDDWBELZBNKV-UHFFFAOYSA-N 1 1 405.589 3.540 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000022462454 558490956 /nfs/dbraw/zinc/49/09/56/558490956.db2.gz YRXMCQXUBCBEMG-UHFFFAOYSA-N 1 1 418.541 3.790 50 0 HHAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000022776215 558509335 /nfs/dbraw/zinc/50/93/35/558509335.db2.gz GUGZJHXDIYVHTA-UHFFFAOYSA-N 1 1 412.603 3.885 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)cc1C ZINC000022852439 558517138 /nfs/dbraw/zinc/51/71/38/558517138.db2.gz LRRUWWLUROCTBF-NRFANRHFSA-N 1 1 400.588 3.794 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)cc1C ZINC000022852439 558517144 /nfs/dbraw/zinc/51/71/44/558517144.db2.gz LRRUWWLUROCTBF-NRFANRHFSA-N 1 1 400.588 3.794 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@@H]2CCO)cc1C ZINC000022852439 558517147 /nfs/dbraw/zinc/51/71/47/558517147.db2.gz LRRUWWLUROCTBF-NRFANRHFSA-N 1 1 400.588 3.794 50 0 HHAAMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000022931783 558524417 /nfs/dbraw/zinc/52/44/17/558524417.db2.gz SOSJSQXPSSZICL-IPHXSNPTSA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000022931783 558524422 /nfs/dbraw/zinc/52/44/22/558524422.db2.gz SOSJSQXPSSZICL-IPHXSNPTSA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2)CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000022931783 558524424 /nfs/dbraw/zinc/52/44/24/558524424.db2.gz SOSJSQXPSSZICL-IPHXSNPTSA-N 1 1 409.357 3.767 50 0 HHAAMO Cc1ccc(-c2cc(NC(=O)CN3CCC[N@@H+](Cc4ccccc4)CC3)on2)cc1 ZINC000023043471 558531694 /nfs/dbraw/zinc/53/16/94/558531694.db2.gz PNEOULYHRYPHIE-UHFFFAOYSA-N 1 1 404.514 3.796 50 0 HHAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](C)C3 ZINC000013424241 558532476 /nfs/dbraw/zinc/53/24/76/558532476.db2.gz LSXHCIYVCOFHIK-UHFFFAOYSA-N 1 1 421.588 3.606 50 0 HHAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](C)C3 ZINC000013424241 558532477 /nfs/dbraw/zinc/53/24/77/558532477.db2.gz LSXHCIYVCOFHIK-UHFFFAOYSA-N 1 1 421.588 3.606 50 0 HHAAMO CC[N@H+](CCn1cccn1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000023129316 558536936 /nfs/dbraw/zinc/53/69/36/558536936.db2.gz XYRKSHXKVAEINZ-UHFFFAOYSA-N 1 1 414.579 3.521 50 0 HHAAMO CC[N@@H+](CCn1cccn1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000023129316 558536939 /nfs/dbraw/zinc/53/69/39/558536939.db2.gz XYRKSHXKVAEINZ-UHFFFAOYSA-N 1 1 414.579 3.521 50 0 HHAAMO S=c1oc(-c2ccco2)nn1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023256933 558546294 /nfs/dbraw/zinc/54/62/94/558546294.db2.gz STVCXYCJGWBVBM-UHFFFAOYSA-N 1 1 420.922 3.773 50 0 HHAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@H+]1C1CCCCC1 ZINC000023358109 558551407 /nfs/dbraw/zinc/55/14/07/558551407.db2.gz QWEXDTVSFOLJSD-FQEVSTJZSA-N 1 1 402.970 3.727 50 0 HHAAMO O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000013644670 558556214 /nfs/dbraw/zinc/55/62/14/558556214.db2.gz RAPUXRKISQDNHN-MRXNPFEDSA-N 1 1 416.312 3.623 50 0 HHAAMO CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COc1ccccc1 ZINC000023486306 558559722 /nfs/dbraw/zinc/55/97/22/558559722.db2.gz UYORKHRBPKXHMM-INIZCTEOSA-N 1 1 401.894 3.641 50 0 HHAAMO CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COc1ccccc1 ZINC000023486306 558559723 /nfs/dbraw/zinc/55/97/23/558559723.db2.gz UYORKHRBPKXHMM-INIZCTEOSA-N 1 1 401.894 3.641 50 0 HHAAMO COc1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(Cl)c1OC(C)C ZINC000023674476 558567098 /nfs/dbraw/zinc/56/70/98/558567098.db2.gz FWWNSJZLQGPIEO-UHFFFAOYSA-N 1 1 424.969 3.901 50 0 HHAAMO COc1cc(OC)c(OC)c2[nH]c(C(=O)N[C@H]3CC[N@H+](C4CCCCCC4)C3)cc21 ZINC000072230574 558619049 /nfs/dbraw/zinc/61/90/49/558619049.db2.gz GZFKIXOJZQIDPW-HNNXBMFYSA-N 1 1 415.534 3.721 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C[C@H](C)O1 ZINC000025162448 558633287 /nfs/dbraw/zinc/63/32/87/558633287.db2.gz FFHMFSFPIVSAFE-ROUUACIJSA-N 1 1 406.530 3.643 50 0 HHAAMO O=C(CSc1nncs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014240494 558643563 /nfs/dbraw/zinc/64/35/63/558643563.db2.gz ZAPIDPQUKGRBMR-UHFFFAOYSA-N 1 1 410.568 3.564 50 0 HHAAMO CC(C)CN1C(=O)N(C)C(=O)C12CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014531176 558656008 /nfs/dbraw/zinc/65/60/08/558656008.db2.gz PQHRACPGHSYIHA-UHFFFAOYSA-N 1 1 412.559 3.695 50 0 HHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014746116 558669124 /nfs/dbraw/zinc/66/91/24/558669124.db2.gz HJGCOOVVKNONDQ-UXHICEINSA-N 1 1 409.505 3.525 50 0 HHAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 ZINC000014882298 558676481 /nfs/dbraw/zinc/67/64/81/558676481.db2.gz MUDAPYIUTYQDKX-UHFFFAOYSA-N 1 1 423.605 3.699 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000014958015 558682858 /nfs/dbraw/zinc/68/28/58/558682858.db2.gz BGBMPEIEYACYKP-OAQYLSRUSA-N 1 1 421.513 3.865 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000014958015 558682862 /nfs/dbraw/zinc/68/28/62/558682862.db2.gz BGBMPEIEYACYKP-OAQYLSRUSA-N 1 1 421.513 3.865 50 0 HHAAMO C[C@H]1CCCCN1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027932189 558684932 /nfs/dbraw/zinc/68/49/32/558684932.db2.gz SSWYBIJZKOCZPG-FQEVSTJZSA-N 1 1 413.587 3.513 50 0 HHAAMO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014964122 558685159 /nfs/dbraw/zinc/68/51/59/558685159.db2.gz LFEYNHGUMDTGQU-QHCPKHFHSA-N 1 1 401.510 3.814 50 0 HHAAMO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000015071853 558713163 /nfs/dbraw/zinc/71/31/63/558713163.db2.gz ZYOKHMDWVBAJTP-UHFFFAOYSA-N 1 1 408.951 3.821 50 0 HHAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015074203 558715038 /nfs/dbraw/zinc/71/50/38/558715038.db2.gz XIFPQWJVHHULAQ-MRXNPFEDSA-N 1 1 408.477 3.606 50 0 HHAAMO CCOc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000072305149 558757776 /nfs/dbraw/zinc/75/77/76/558757776.db2.gz WLTLEVCPHJSIKT-OAQYLSRUSA-N 1 1 418.921 3.633 50 0 HHAAMO CCOc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000072305149 558757778 /nfs/dbraw/zinc/75/77/78/558757778.db2.gz WLTLEVCPHJSIKT-OAQYLSRUSA-N 1 1 418.921 3.633 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972531 558764560 /nfs/dbraw/zinc/76/45/60/558764560.db2.gz YVUFEZLYZUOAFD-VWQFJMCTSA-N 1 1 405.498 3.582 50 0 HHAAMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000016088170 558771441 /nfs/dbraw/zinc/77/14/41/558771441.db2.gz IESIRIDZWCRMNR-QGZVFWFLSA-N 1 1 411.365 3.593 50 0 HHAAMO O=C(OCCN1CC[NH+](Cc2ccsc2)CC1)c1csc(-c2ccsc2)n1 ZINC000072310699 558777950 /nfs/dbraw/zinc/77/79/50/558777950.db2.gz MEYJNEKQOSIKEK-UHFFFAOYSA-N 1 1 419.597 3.908 50 0 HHAAMO COc1ccc(S(=O)(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000036055836 558797205 /nfs/dbraw/zinc/79/72/05/558797205.db2.gz ROXMBDRFJORDAY-UHFFFAOYSA-N 1 1 414.571 3.728 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146227 558798136 /nfs/dbraw/zinc/79/81/36/558798136.db2.gz KWSJNFCNEDZEJS-UXHICEINSA-N 1 1 400.494 3.607 50 0 HHAAMO Cc1ccc(NCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)[nH+]c1 ZINC000072312103 558799273 /nfs/dbraw/zinc/79/92/73/558799273.db2.gz ILTATIOTFAUBJO-OOTRUBSTSA-N 1 1 424.589 3.516 50 0 HHAAMO Cc1nn(C)cc1[C@H](C)NC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039461407 558821442 /nfs/dbraw/zinc/82/14/42/558821442.db2.gz QPZQNCUZKRYCRZ-SFHVURJKSA-N 1 1 402.542 3.575 50 0 HHAAMO CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000039479096 558821655 /nfs/dbraw/zinc/82/16/55/558821655.db2.gz CMSJZCMXSZDGJF-FQEVSTJZSA-N 1 1 403.526 3.697 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2c(F)c(F)cc(F)c2F)C[C@H](C)O1 ZINC000072312680 558838031 /nfs/dbraw/zinc/83/80/31/558838031.db2.gz WEJWVJNMRDFNHE-STQMWFEESA-N 1 1 410.411 3.782 50 0 HHAAMO COCCN(Cc1ccc(OC)c(O)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055134218 558873699 /nfs/dbraw/zinc/87/36/99/558873699.db2.gz UMRVEJRCPIIURT-NRFANRHFSA-N 1 1 424.585 3.729 50 0 HHAAMO CCN(Cc1cnc(SC)nc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055198421 558875774 /nfs/dbraw/zinc/87/57/74/558875774.db2.gz CHPMRIPEFGFRQZ-FQEVSTJZSA-N 1 1 414.619 3.984 50 0 HHAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004676261 558888693 /nfs/dbraw/zinc/88/86/93/558888693.db2.gz LNEDVKXDMWELJG-RDPSFJRHSA-N 1 1 419.569 3.930 50 0 HHAAMO CC(C)[C@@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058065541 558897509 /nfs/dbraw/zinc/89/75/09/558897509.db2.gz XZLBYMVSKBWMMD-MDZRGWNJSA-N 1 1 416.484 3.516 50 0 HHAAMO CN(C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000058159183 558904431 /nfs/dbraw/zinc/90/44/31/558904431.db2.gz UKRUMFIJELGIKL-CQSZACIVSA-N 1 1 413.921 3.997 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1)C(=O)OC(C)(C)C ZINC000058159183 558904433 /nfs/dbraw/zinc/90/44/33/558904433.db2.gz UKRUMFIJELGIKL-CQSZACIVSA-N 1 1 413.921 3.997 50 0 HHAAMO CC(C)[C@H](CNC(=O)Nc1cccc(-c2nncn2C)c1)[N@H+]1CCc2ccccc2C1 ZINC000058161638 558905610 /nfs/dbraw/zinc/90/56/10/558905610.db2.gz VMGKZYVNGNUYLS-QFIPXVFZSA-N 1 1 418.545 3.687 50 0 HHAAMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(Nc3ccccc3C)CC2)c1 ZINC000058245965 558914746 /nfs/dbraw/zinc/91/47/46/558914746.db2.gz DGBXTHJRMCYILL-GOSISDBHSA-N 1 1 411.546 3.766 50 0 HHAAMO CC[N@@H+](CCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1CC1 ZINC000058264298 558915311 /nfs/dbraw/zinc/91/53/11/558915311.db2.gz ARTHODPRMMURBB-UHFFFAOYSA-N 1 1 404.308 3.851 50 0 HHAAMO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000064024045 558961637 /nfs/dbraw/zinc/96/16/37/558961637.db2.gz RPBGKBRNCYDTLV-AWEZNQCLSA-N 1 1 408.955 3.710 50 0 HHAAMO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000064024045 558961640 /nfs/dbraw/zinc/96/16/40/558961640.db2.gz RPBGKBRNCYDTLV-AWEZNQCLSA-N 1 1 408.955 3.710 50 0 HHAAMO CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000064120740 558962209 /nfs/dbraw/zinc/96/22/09/558962209.db2.gz JSTLSEUSNGTAHI-UHFFFAOYSA-N 1 1 419.569 3.952 50 0 HHAAMO Cc1noc(C)c1C[NH+]1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000096524723 558964381 /nfs/dbraw/zinc/96/43/81/558964381.db2.gz PKXXWZIDFBGALL-UHFFFAOYSA-N 1 1 400.486 3.619 50 0 HHAAMO CC[NH+]1CCN(C(=O)Cc2c(C)nn(-c3nc(-c4ccc(C)cc4)cs3)c2C)CC1 ZINC000064790157 558965358 /nfs/dbraw/zinc/96/53/58/558965358.db2.gz SYNHNPDMOABMLS-UHFFFAOYSA-N 1 1 423.586 3.628 50 0 HHAAMO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000072446670 558982474 /nfs/dbraw/zinc/98/24/74/558982474.db2.gz IGEMVPOSHJHXQS-UHFFFAOYSA-N 1 1 407.562 3.727 50 0 HHAAMO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000097109078 558995186 /nfs/dbraw/zinc/99/51/86/558995186.db2.gz ZUKZVSRIWTYJHA-ROUUACIJSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000097109078 558995187 /nfs/dbraw/zinc/99/51/87/558995187.db2.gz ZUKZVSRIWTYJHA-ROUUACIJSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000097109078 558995188 /nfs/dbraw/zinc/99/51/88/558995188.db2.gz ZUKZVSRIWTYJHA-ROUUACIJSA-N 1 1 406.505 3.760 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000076996808 558998950 /nfs/dbraw/zinc/99/89/50/558998950.db2.gz IMNNDLKRRHPBDR-XMMPIXPASA-N 1 1 407.514 3.960 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000076996808 558998952 /nfs/dbraw/zinc/99/89/52/558998952.db2.gz IMNNDLKRRHPBDR-XMMPIXPASA-N 1 1 407.514 3.960 50 0 HHAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)[C@@H]3CC34CCC4)CC2)OC1=O)C1CCCCC1 ZINC000077470430 559006435 /nfs/dbraw/zinc/00/64/35/559006435.db2.gz ACDMSQKUKIVAQJ-FQEVSTJZSA-N 1 1 417.594 3.645 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)C(C)C)CC1 ZINC000023181679 559031459 /nfs/dbraw/zinc/03/14/59/559031459.db2.gz AGRGHJOZAUWQAS-UTKZUKDTSA-N 1 1 401.576 3.781 50 0 HHAAMO O=C(NCc1ccco1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000082092605 559037104 /nfs/dbraw/zinc/03/71/04/559037104.db2.gz XVMDHLBETRAOTL-UHFFFAOYSA-N 1 1 409.574 3.705 50 0 HHAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-c4ccco4)cc3)C[C@@H]2CCO)CC1 ZINC000095347067 559079599 /nfs/dbraw/zinc/07/95/99/559079599.db2.gz HJJOAPMOSNFVMN-DEOSSOPVSA-N 1 1 411.590 3.688 50 0 HHAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 ZINC000096137695 559095611 /nfs/dbraw/zinc/09/56/11/559095611.db2.gz CTXYOGYSEOQXCN-OAQYLSRUSA-N 1 1 400.526 3.972 50 0 HHAAMO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc32)c1 ZINC000035559995 559187301 /nfs/dbraw/zinc/18/73/01/559187301.db2.gz YCWGXHFTXCUJNV-LJQANCHMSA-N 1 1 420.557 3.945 50 0 HHAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000247894644 559190008 /nfs/dbraw/zinc/19/00/08/559190008.db2.gz OALJIVLWVZBTOD-IRLDBZIGSA-N 1 1 413.514 3.571 50 0 HHAAMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488785 559277587 /nfs/dbraw/zinc/27/75/87/559277587.db2.gz IYXKAUUZZZYFJN-HXUWFJFHSA-N 1 1 404.599 3.871 50 0 HHAAMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488785 559277589 /nfs/dbraw/zinc/27/75/89/559277589.db2.gz IYXKAUUZZZYFJN-HXUWFJFHSA-N 1 1 404.599 3.871 50 0 HHAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488785 559277592 /nfs/dbraw/zinc/27/75/92/559277592.db2.gz IYXKAUUZZZYFJN-HXUWFJFHSA-N 1 1 404.599 3.871 50 0 HHAAMO CC(C)(C)c1ccc(-c2nc3[nH]c(C[N@@H+]4CCc5ccccc5C4)cc(=O)n3n2)cc1 ZINC000101747794 560800187 /nfs/dbraw/zinc/80/01/87/560800187.db2.gz MOVLQMNSZCTOFZ-UHFFFAOYSA-N 1 1 413.525 3.940 50 0 HHAAMO CC(C)(C)c1ccc(-c2nc3[nH]c(C[N@H+]4CCc5ccccc5C4)cc(=O)n3n2)cc1 ZINC000101747794 560800189 /nfs/dbraw/zinc/80/01/89/560800189.db2.gz MOVLQMNSZCTOFZ-UHFFFAOYSA-N 1 1 413.525 3.940 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984269 560858886 /nfs/dbraw/zinc/85/88/86/560858886.db2.gz AIYOBMFCLXFDOX-LEWJYISDSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984269 560858887 /nfs/dbraw/zinc/85/88/87/560858887.db2.gz AIYOBMFCLXFDOX-LEWJYISDSA-N 1 1 414.521 3.997 50 0 HHAAMO CCCCC(=O)NC1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048309812 568436553 /nfs/dbraw/zinc/43/65/53/568436553.db2.gz OCSHDQNINIDKBI-UHFFFAOYSA-N 1 1 424.570 3.694 50 0 HHAAMO CC1(C)Cc2cccc(OC3CC[NH+](Cc4cc(=O)n5ccsc5n4)CC3)c2O1 ZINC000048300546 568437432 /nfs/dbraw/zinc/43/74/32/568437432.db2.gz XCYUBMKMOKXHOY-UHFFFAOYSA-N 1 1 411.527 3.513 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCOc3cccc(C)c3C)cc2)CC1 ZINC000048302364 568437731 /nfs/dbraw/zinc/43/77/31/568437731.db2.gz UAORDKGSEFXCIU-UHFFFAOYSA-N 1 1 409.574 3.526 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000048358588 568441305 /nfs/dbraw/zinc/44/13/05/568441305.db2.gz HSFNJGPPYOIWNI-OKILXGFUSA-N 1 1 407.308 3.581 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000048358588 568441307 /nfs/dbraw/zinc/44/13/07/568441307.db2.gz HSFNJGPPYOIWNI-OKILXGFUSA-N 1 1 407.308 3.581 50 0 HHAAMO Brc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cc2c1OCO2 ZINC000022771267 568499492 /nfs/dbraw/zinc/49/94/92/568499492.db2.gz ATTQZIWOXHNXRN-UHFFFAOYSA-N 1 1 403.320 3.932 50 0 HHAAMO C[C@H](NC(=O)c1ccncc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288696 568597940 /nfs/dbraw/zinc/59/79/40/568597940.db2.gz CXPFBDGNSOFFAZ-WMZHIEFXSA-N 1 1 420.582 3.821 50 0 HHAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000095347403 568599906 /nfs/dbraw/zinc/59/99/06/568599906.db2.gz KDESPEBKAMSWJR-XMMPIXPASA-N 1 1 421.566 3.898 50 0 HHAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000095427833 568608064 /nfs/dbraw/zinc/60/80/64/568608064.db2.gz UTIMYIVIWPWLCK-AWEZNQCLSA-N 1 1 416.323 3.687 50 0 HHAAMO COCc1cccc(OCC2(C[NH+]3CCN(C(=O)c4ccccc4)CC3)CCC2)c1 ZINC000095448090 568612487 /nfs/dbraw/zinc/61/24/87/568612487.db2.gz BNGAIMVJYXXRJB-UHFFFAOYSA-N 1 1 408.542 3.840 50 0 HHAAMO COc1ccc(-c2nc(COC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)cs2)cc1 ZINC000095454617 568616213 /nfs/dbraw/zinc/61/62/13/568616213.db2.gz RZPRBIXCFOWCIK-IBGZPJMESA-N 1 1 402.516 3.505 50 0 HHAAMO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000095469057 568625348 /nfs/dbraw/zinc/62/53/48/568625348.db2.gz FVCSRKCIKPWBHB-JOCHJYFZSA-N 1 1 404.514 3.571 50 0 HHAAMO CCCC[N@@H+](CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)Cc1ccccc1 ZINC000020732809 568641015 /nfs/dbraw/zinc/64/10/15/568641015.db2.gz NUKDPCUIHBILFU-JOCHJYFZSA-N 1 1 408.546 3.618 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000021261975 568685735 /nfs/dbraw/zinc/68/57/35/568685735.db2.gz VPKHOKZEQXXYCF-UHFFFAOYSA-N 1 1 418.497 3.948 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000021261975 568685737 /nfs/dbraw/zinc/68/57/37/568685737.db2.gz VPKHOKZEQXXYCF-UHFFFAOYSA-N 1 1 418.497 3.948 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420321 568720359 /nfs/dbraw/zinc/72/03/59/568720359.db2.gz MHLQXVOWVVZPPS-DGCLKSJQSA-N 1 1 407.146 3.826 50 0 HHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000241701734 568731871 /nfs/dbraw/zinc/73/18/71/568731871.db2.gz QKUQTNKAZVPGTJ-CJNGLKHVSA-N 1 1 412.342 3.693 50 0 HHAAMO COc1cc(OC)cc([C@@H](c2c(C)c(C)sc2NC(C)=O)N2CC[NH+](C)CC2)c1 ZINC000021671185 568736916 /nfs/dbraw/zinc/73/69/16/568736916.db2.gz WORZQQAQXBYCDO-NRFANRHFSA-N 1 1 417.575 3.677 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000096562185 568760286 /nfs/dbraw/zinc/76/02/86/568760286.db2.gz LSKQHNKOLJTEPH-FOIQADDNSA-N 1 1 402.336 3.627 50 0 HHAAMO O=C1c2ccccc2N(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022039659 568764361 /nfs/dbraw/zinc/76/43/61/568764361.db2.gz VRVONLSYHWUATB-UHFFFAOYSA-N 1 1 411.505 3.581 50 0 HHAAMO O=S(=O)(c1ccc(Cl)s1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689961 568779080 /nfs/dbraw/zinc/77/90/80/568779080.db2.gz WADJKGFWKSIABB-UHFFFAOYSA-N 1 1 402.994 3.674 50 0 HHAAMO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225690085 568779093 /nfs/dbraw/zinc/77/90/93/568779093.db2.gz LEIJJZSCBSUWDF-UHFFFAOYSA-N 1 1 416.612 3.838 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)cc1Cl ZINC000055941488 568784552 /nfs/dbraw/zinc/78/45/52/568784552.db2.gz BBUCNBMQHXWPSY-NRFANRHFSA-N 1 1 415.921 3.631 50 0 HHAAMO CN(C)CC[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261491821 568820233 /nfs/dbraw/zinc/82/02/33/568820233.db2.gz LDWIEOHSJPCJJK-UHFFFAOYSA-N 1 1 404.345 3.951 50 0 HHAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000057122065 568824290 /nfs/dbraw/zinc/82/42/90/568824290.db2.gz GUKMKSGIQMCCDG-REDKUUPNSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000057122065 568824292 /nfs/dbraw/zinc/82/42/92/568824292.db2.gz GUKMKSGIQMCCDG-REDKUUPNSA-N 1 1 411.889 3.619 50 0 HHAAMO CNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000057363684 568829183 /nfs/dbraw/zinc/82/91/83/568829183.db2.gz QYKXUNRPZCQKKX-LJQANCHMSA-N 1 1 408.527 3.673 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415599 568833935 /nfs/dbraw/zinc/83/39/35/568833935.db2.gz PKNGLIIRYVTMQO-OAQYLSRUSA-N 1 1 411.477 3.519 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415599 568833936 /nfs/dbraw/zinc/83/39/36/568833936.db2.gz PKNGLIIRYVTMQO-OAQYLSRUSA-N 1 1 411.477 3.519 50 0 HHAAMO C[N@H+](CCCOc1ccccc1)CC(=O)Nc1ccccc1I ZINC000029852170 568838367 /nfs/dbraw/zinc/83/83/67/568838367.db2.gz ZCPIGRXWFGNTJR-UHFFFAOYSA-N 1 1 424.282 3.631 50 0 HHAAMO C[N@@H+](CCCOc1ccccc1)CC(=O)Nc1ccccc1I ZINC000029852170 568838368 /nfs/dbraw/zinc/83/83/68/568838368.db2.gz ZCPIGRXWFGNTJR-UHFFFAOYSA-N 1 1 424.282 3.631 50 0 HHAAMO O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882850 568844458 /nfs/dbraw/zinc/84/44/58/568844458.db2.gz GMTCSEQWZNVVPQ-CMDGGOBGSA-N 1 1 404.432 3.867 50 0 HHAAMO C[N@H+](Cc1ccccc1N1CCCCC1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012534636 568844840 /nfs/dbraw/zinc/84/48/40/568844840.db2.gz HFOGBIFMOREPHP-DEOSSOPVSA-N 1 1 407.558 3.709 50 0 HHAAMO C[N@@H+](Cc1ccccc1N1CCCCC1)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012534636 568844841 /nfs/dbraw/zinc/84/48/41/568844841.db2.gz HFOGBIFMOREPHP-DEOSSOPVSA-N 1 1 407.558 3.709 50 0 HHAAMO Cc1cc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc2ccccc12 ZINC000012548804 568851819 /nfs/dbraw/zinc/85/18/19/568851819.db2.gz NRYBQCZPGDOXPV-UHFFFAOYSA-N 1 1 413.587 3.787 50 0 HHAAMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000504065644 568864717 /nfs/dbraw/zinc/86/47/17/568864717.db2.gz WPEUNQPOHNFYQG-WMZOPIPTSA-N 1 1 402.926 3.703 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992183 568873108 /nfs/dbraw/zinc/87/31/08/568873108.db2.gz XELZJZRNKWSHBN-DDVAMESESA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccccc1NC(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000058021461 568878114 /nfs/dbraw/zinc/87/81/14/568878114.db2.gz ZFNPSNFJTXLMRB-UHFFFAOYSA-N 1 1 402.926 3.601 50 0 HHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@@]5(C)CN(C)C[C@@](C)(C4)C5)[C@H]3C=C12 ZINC000004025957 568878175 /nfs/dbraw/zinc/87/81/75/568878175.db2.gz FIPCGZHKEIMIJW-OKEAFTKFSA-N 1 1 400.607 3.964 50 0 biogenic HHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@]5(C)C[N@H+](C)C[C@](C)(C4)C5)[C@H]3C=C12 ZINC000004025957 568878180 /nfs/dbraw/zinc/87/81/80/568878180.db2.gz FIPCGZHKEIMIJW-OKEAFTKFSA-N 1 1 400.607 3.964 50 0 biogenic HHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@]5(C)C[N@@H+](C)C[C@](C)(C4)C5)[C@H]3C=C12 ZINC000004025957 568878181 /nfs/dbraw/zinc/87/81/81/568878181.db2.gz FIPCGZHKEIMIJW-OKEAFTKFSA-N 1 1 400.607 3.964 50 0 biogenic HHAAMO COc1cc(C[N@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000003421798 568900006 /nfs/dbraw/zinc/90/00/06/568900006.db2.gz HZYVDVHRAUIORB-SFHVURJKSA-N 1 1 404.457 3.922 50 0 HHAAMO COc1cc(C[N@@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000003421798 568900007 /nfs/dbraw/zinc/90/00/07/568900007.db2.gz HZYVDVHRAUIORB-SFHVURJKSA-N 1 1 404.457 3.922 50 0 HHAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000004064380 568937362 /nfs/dbraw/zinc/93/73/62/568937362.db2.gz WFGJVOCYYVXZNG-TUSQITKMSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC000004064380 568937364 /nfs/dbraw/zinc/93/73/64/568937364.db2.gz WFGJVOCYYVXZNG-TUSQITKMSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783413 568958838 /nfs/dbraw/zinc/95/88/38/568958838.db2.gz NGUQYLOOISEJCU-GFCCVEGCSA-N 1 1 405.848 3.630 50 0 HHAAMO COc1ccc(C)cc1NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000008153588 568977670 /nfs/dbraw/zinc/97/76/70/568977670.db2.gz INMPQUYEIJCRDU-UHFFFAOYSA-N 1 1 407.308 3.715 50 0 HHAAMO COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000008153588 568977671 /nfs/dbraw/zinc/97/76/71/568977671.db2.gz INMPQUYEIJCRDU-UHFFFAOYSA-N 1 1 407.308 3.715 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NCc1ccc2c(c1)OCO2 ZINC000008261907 568985690 /nfs/dbraw/zinc/98/56/90/568985690.db2.gz ICTVXIKISXUGLX-MRXNPFEDSA-N 1 1 409.511 3.521 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NCc1ccc2c(c1)OCO2 ZINC000008261907 568985692 /nfs/dbraw/zinc/98/56/92/568985692.db2.gz ICTVXIKISXUGLX-MRXNPFEDSA-N 1 1 409.511 3.521 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000008272007 568986384 /nfs/dbraw/zinc/98/63/84/568986384.db2.gz GEQBTJPUQPWQPZ-IBGZPJMESA-N 1 1 409.486 3.560 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000008272007 568986387 /nfs/dbraw/zinc/98/63/87/568986387.db2.gz GEQBTJPUQPWQPZ-IBGZPJMESA-N 1 1 409.486 3.560 50 0 HHAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000008345275 568994398 /nfs/dbraw/zinc/99/43/98/568994398.db2.gz NSKJTFMXYBCPRJ-LIRRHRJNSA-N 1 1 421.994 3.934 50 0 HHAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000015770192 568997551 /nfs/dbraw/zinc/99/75/51/568997551.db2.gz FJRPBLCTVJHFGK-UHFFFAOYSA-N 1 1 423.586 3.546 50 0 HHAAMO CCc1cc([C@@H](c2ccncc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546456 569000203 /nfs/dbraw/zinc/00/02/03/569000203.db2.gz XJYAQLSDZBQRRU-HXUWFJFHSA-N 1 1 410.543 3.888 50 0 HHAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)c1OC ZINC000104385455 569008508 /nfs/dbraw/zinc/00/85/08/569008508.db2.gz GLMPSZZIRBGOBQ-OAQYLSRUSA-N 1 1 418.965 3.734 50 0 HHAAMO Cc1cc(C)n(-c2cccc(CN3CC[N@@H+](Cc4ccccc4C)[C@H](CCO)C3)c2)n1 ZINC000104391101 569008523 /nfs/dbraw/zinc/00/85/23/569008523.db2.gz BTYXTQTXDHONPF-AREMUKBSSA-N 1 1 418.585 3.866 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCN(Cc4ccccc4C)[C@H](CCO)C3)c2)n1 ZINC000104391101 569008524 /nfs/dbraw/zinc/00/85/24/569008524.db2.gz BTYXTQTXDHONPF-AREMUKBSSA-N 1 1 418.585 3.866 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCN(Cc4ccccc4C)[C@H](CCO)C3)c2)n1 ZINC000104391101 569008525 /nfs/dbraw/zinc/00/85/25/569008525.db2.gz BTYXTQTXDHONPF-AREMUKBSSA-N 1 1 418.585 3.866 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(O)c2ncccc12 ZINC000012844785 569010145 /nfs/dbraw/zinc/01/01/45/569010145.db2.gz RSJAIWSUMNMYDB-UHFFFAOYSA-N 1 1 405.376 3.910 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850470 569010384 /nfs/dbraw/zinc/01/03/84/569010384.db2.gz GRGMUZFFZHOZOL-OAHLLOKOSA-N 1 1 413.909 3.869 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850470 569010385 /nfs/dbraw/zinc/01/03/85/569010385.db2.gz GRGMUZFFZHOZOL-OAHLLOKOSA-N 1 1 413.909 3.869 50 0 HHAAMO Cc1nc(CSc2ccc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)cc2)cs1 ZINC000012936005 569026878 /nfs/dbraw/zinc/02/68/78/569026878.db2.gz FRBCOWWTCKLPFU-HXUWFJFHSA-N 1 1 419.616 3.830 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000229906951 569040683 /nfs/dbraw/zinc/04/06/83/569040683.db2.gz HFSUCFZKYLYZFV-GDIGMMSISA-N 1 1 402.926 3.850 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000229906951 569040684 /nfs/dbraw/zinc/04/06/84/569040684.db2.gz HFSUCFZKYLYZFV-GDIGMMSISA-N 1 1 402.926 3.850 50 0 HHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000004083400 569042746 /nfs/dbraw/zinc/04/27/46/569042746.db2.gz IAJWLDIXDYBHTM-IGKWTDBASA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000004083400 569042747 /nfs/dbraw/zinc/04/27/47/569042747.db2.gz IAJWLDIXDYBHTM-IGKWTDBASA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003190 569049291 /nfs/dbraw/zinc/04/92/91/569049291.db2.gz RRMVXYJMABPLNB-GOSISDBHSA-N 1 1 405.420 3.733 50 0 HHAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003190 569049292 /nfs/dbraw/zinc/04/92/92/569049292.db2.gz RRMVXYJMABPLNB-GOSISDBHSA-N 1 1 405.420 3.733 50 0 HHAAMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000245255284 569055481 /nfs/dbraw/zinc/05/54/81/569055481.db2.gz HAHFVBKIQQOUAT-XUTJKUGGSA-N 1 1 415.578 3.662 50 0 HHAAMO C[N@@H+]1C[C@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000169302669 569066377 /nfs/dbraw/zinc/06/63/77/569066377.db2.gz QHOFUTURFHYTTR-VANUSSGQSA-N 1 1 410.473 3.825 50 0 HHAAMO C[N@H+]1C[C@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000169302669 569066378 /nfs/dbraw/zinc/06/63/78/569066378.db2.gz QHOFUTURFHYTTR-VANUSSGQSA-N 1 1 410.473 3.825 50 0 HHAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000016695369 569070802 /nfs/dbraw/zinc/07/08/02/569070802.db2.gz PEMPATPCMHMZNP-UHFFFAOYSA-N 1 1 400.906 3.735 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031225 569080907 /nfs/dbraw/zinc/08/09/07/569080907.db2.gz QKWDEUYLRVHUCR-LJQANCHMSA-N 1 1 413.445 3.727 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031225 569080908 /nfs/dbraw/zinc/08/09/08/569080908.db2.gz QKWDEUYLRVHUCR-LJQANCHMSA-N 1 1 413.445 3.727 50 0 HHAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102569 569092061 /nfs/dbraw/zinc/09/20/61/569092061.db2.gz DXMYDAUEDJCUMW-FQEVSTJZSA-N 1 1 413.445 3.727 50 0 HHAAMO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103596 569092173 /nfs/dbraw/zinc/09/21/73/569092173.db2.gz ZEUYRSCNPQOAEF-OAQYLSRUSA-N 1 1 411.498 3.877 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036103596 569092174 /nfs/dbraw/zinc/09/21/74/569092174.db2.gz ZEUYRSCNPQOAEF-OAQYLSRUSA-N 1 1 411.498 3.877 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145907 569098359 /nfs/dbraw/zinc/09/83/59/569098359.db2.gz SUEWZKUMSAHMSS-GOTSBHOMSA-N 1 1 414.521 3.854 50 0 HHAAMO COC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146561 569098753 /nfs/dbraw/zinc/09/87/53/569098753.db2.gz SWEBFGJOZJHYJF-PMACEKPBSA-N 1 1 423.340 3.996 50 0 HHAAMO O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCCC[NH+]1CCOCC1 ZINC000064816526 569100616 /nfs/dbraw/zinc/10/06/16/569100616.db2.gz ZHOCITDNGSAUAQ-UHFFFAOYSA-N 1 1 417.962 3.862 50 0 HHAAMO O=C(C1=CC[N@@H+](Cc2cccc(F)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000064818104 569101281 /nfs/dbraw/zinc/10/12/81/569101281.db2.gz HYVASJVXVUYFPK-UHFFFAOYSA-N 1 1 413.924 3.960 50 0 HHAAMO O=S(=O)(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[NH+](C2CCCCC2)CC1 ZINC000036159967 569102838 /nfs/dbraw/zinc/10/28/38/569102838.db2.gz GAZKGBKHGGPVFX-UHFFFAOYSA-N 1 1 401.576 3.686 50 0 HHAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C(C)C ZINC000036312192 569132769 /nfs/dbraw/zinc/13/27/69/569132769.db2.gz ADFVTUCTIKBLEK-UHFFFAOYSA-N 1 1 402.514 3.627 50 0 HHAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)NC(C)C ZINC000036312870 569133088 /nfs/dbraw/zinc/13/30/88/569133088.db2.gz HFHCZDQLBVNUHW-UHFFFAOYSA-N 1 1 417.529 3.563 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036341641 569141997 /nfs/dbraw/zinc/14/19/97/569141997.db2.gz HNANYPWEZBVSEL-QFIPXVFZSA-N 1 1 407.514 3.867 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875220 569162062 /nfs/dbraw/zinc/16/20/62/569162062.db2.gz AOXTZJPERMEUKV-NHCUHLMSSA-N 1 1 413.587 3.897 50 0 HHAAMO CC[C@@H](C)[C@H]1Nc2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919970 569181716 /nfs/dbraw/zinc/18/17/16/569181716.db2.gz BJAZSKMNNHULRK-IIBYNOLFSA-N 1 1 400.567 3.850 50 0 HHAAMO CCC(CC)[NH+]1CCN(C(=O)c2cccc3[nH]cc(CN4CCSCC4)c32)CC1 ZINC000065135864 569184080 /nfs/dbraw/zinc/18/40/80/569184080.db2.gz LBEZUYIGMIBZFO-UHFFFAOYSA-N 1 1 414.619 3.663 50 0 HHAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4C)CC3)n2)cc1 ZINC000065184176 569191248 /nfs/dbraw/zinc/19/12/48/569191248.db2.gz YOASFYTYGZOAQP-UHFFFAOYSA-N 1 1 406.486 3.872 50 0 HHAAMO Cc1ccc2cc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000065245613 569205357 /nfs/dbraw/zinc/20/53/57/569205357.db2.gz VPJMJMSHVNQSPK-UHFFFAOYSA-N 1 1 403.526 3.746 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)Nc3ccc(Br)nc3C)[C@H](C)C2)[nH+]1 ZINC000170591609 569240623 /nfs/dbraw/zinc/24/06/23/569240623.db2.gz IXOMRNQRNVNQDF-CYBMUJFWSA-N 1 1 404.312 3.599 50 0 HHAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000007488335 569240993 /nfs/dbraw/zinc/24/09/93/569240993.db2.gz HLFCHDOTWLPVMU-GOSISDBHSA-N 1 1 418.588 3.705 50 0 HHAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000007488335 569240994 /nfs/dbraw/zinc/24/09/94/569240994.db2.gz HLFCHDOTWLPVMU-GOSISDBHSA-N 1 1 418.588 3.705 50 0 HHAAMO Cc1ncc(Br)c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000170608070 569245191 /nfs/dbraw/zinc/24/51/91/569245191.db2.gz ZQBIILDJWGNUSB-CQSZACIVSA-N 1 1 409.372 3.664 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000170623111 569249675 /nfs/dbraw/zinc/24/96/75/569249675.db2.gz XZGYRANEBLFPOQ-IGKOOGGESA-N 1 1 412.599 3.973 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000017012337 569271555 /nfs/dbraw/zinc/27/15/55/569271555.db2.gz DKEUOSSMHIKKBD-UHFFFAOYSA-N 1 1 421.476 3.639 50 0 HHAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)cc1OC ZINC000007780646 569309552 /nfs/dbraw/zinc/30/95/52/569309552.db2.gz JLTHZKZUSQELRF-GOSISDBHSA-N 1 1 413.543 3.929 50 0 HHAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)cc1OC ZINC000007780643 569309659 /nfs/dbraw/zinc/30/96/59/569309659.db2.gz JLTHZKZUSQELRF-SFHVURJKSA-N 1 1 413.543 3.929 50 0 HHAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819805 569320792 /nfs/dbraw/zinc/32/07/92/569320792.db2.gz MBJGDVRVWZDVGN-QHCPKHFHSA-N 1 1 419.654 3.771 50 0 HHAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000006641846 569357085 /nfs/dbraw/zinc/35/70/85/569357085.db2.gz IAJWLDIXDYBHTM-YGOYIFOWSA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000006641846 569357086 /nfs/dbraw/zinc/35/70/86/569357086.db2.gz IAJWLDIXDYBHTM-YGOYIFOWSA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO CCOC(=O)C1C(C[NH2+]Cc2cccc(C)c2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055227026 569395048 /nfs/dbraw/zinc/39/50/48/569395048.db2.gz XCMFMDPBKODMLU-QFIPXVFZSA-N 1 1 407.514 3.573 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+]Cc2cccc(C)c2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055227026 569395051 /nfs/dbraw/zinc/39/50/51/569395051.db2.gz XCMFMDPBKODMLU-QFIPXVFZSA-N 1 1 407.514 3.573 50 0 HHAAMO C[N@@H+]1C[C@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013396050 569413304 /nfs/dbraw/zinc/41/33/04/569413304.db2.gz KREXOOXCKFMSFM-UOKFIYJESA-N 1 1 416.502 3.886 50 0 HHAAMO C[N@H+]1C[C@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013396050 569413305 /nfs/dbraw/zinc/41/33/05/569413305.db2.gz KREXOOXCKFMSFM-UOKFIYJESA-N 1 1 416.502 3.886 50 0 HHAAMO COc1cc(F)ccc1C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300748 569415776 /nfs/dbraw/zinc/41/57/76/569415776.db2.gz MHFMUTGVUNGLFS-QFIPXVFZSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1cc(F)ccc1C[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300748 569415778 /nfs/dbraw/zinc/41/57/78/569415778.db2.gz MHFMUTGVUNGLFS-QFIPXVFZSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)[NH+](C)C ZINC000079107551 569427832 /nfs/dbraw/zinc/42/78/32/569427832.db2.gz ZKSPNYAFDAWPJT-QHCPKHFHSA-N 1 1 418.541 3.856 50 0 HHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[nH]c(=O)c2C1 ZINC000067291889 571068051 /nfs/dbraw/zinc/06/80/51/571068051.db2.gz QMAZIHRLFOVGCY-UHFFFAOYSA-N 1 1 406.939 3.643 50 0 HHAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCCCC1 ZINC000040040624 571142813 /nfs/dbraw/zinc/14/28/13/571142813.db2.gz WAZKLNOGGNPMKG-UHFFFAOYSA-N 1 1 404.514 3.869 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3Br)cc2)CC1 ZINC000040115657 571173321 /nfs/dbraw/zinc/17/33/21/571173321.db2.gz MJTPCZPDIOURHA-UHFFFAOYSA-N 1 1 416.363 3.517 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000040157925 571204482 /nfs/dbraw/zinc/20/44/82/571204482.db2.gz RELULBPQUNMJAU-QFIPXVFZSA-N 1 1 417.509 3.552 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000040157925 571204484 /nfs/dbraw/zinc/20/44/84/571204484.db2.gz RELULBPQUNMJAU-QFIPXVFZSA-N 1 1 417.509 3.552 50 0 HHAAMO CC(C)Oc1ccc(C[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)COC(C)(C)C4)cc1 ZINC000040267384 571214240 /nfs/dbraw/zinc/21/42/40/571214240.db2.gz QTXIDHWBRRWSBU-UHFFFAOYSA-N 1 1 413.543 3.913 50 0 HHAAMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245237173 571219312 /nfs/dbraw/zinc/21/93/12/571219312.db2.gz FWZCQWCDPGAPFG-RYRKJORJSA-N 1 1 412.500 3.696 50 0 HHAAMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245237173 571219313 /nfs/dbraw/zinc/21/93/13/571219313.db2.gz FWZCQWCDPGAPFG-RYRKJORJSA-N 1 1 412.500 3.696 50 0 HHAAMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352136 571222924 /nfs/dbraw/zinc/22/29/24/571222924.db2.gz MXIACQKIYDHCLK-QAPCUYQASA-N 1 1 402.336 3.934 50 0 HHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000009337401 571249410 /nfs/dbraw/zinc/24/94/10/571249410.db2.gz YVQCXQDQQNWSPG-CQSZACIVSA-N 1 1 407.539 3.948 50 0 HHAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000009337401 571249412 /nfs/dbraw/zinc/24/94/12/571249412.db2.gz YVQCXQDQQNWSPG-CQSZACIVSA-N 1 1 407.539 3.948 50 0 HHAAMO O=C(Nc1nnc(SCC[NH+]2CCCC2)s1)c1cc(-c2ccccc2)on1 ZINC000070635152 571270403 /nfs/dbraw/zinc/27/04/03/571270403.db2.gz IBRDCQDDQICGGT-UHFFFAOYSA-N 1 1 401.517 3.633 50 0 HHAAMO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(O)(c4ccccn4)CC3)c(C)o2)c1 ZINC000011667811 962158499 /nfs/dbraw/zinc/15/84/99/962158499.db2.gz VMAKPEWVRTXWMN-UHFFFAOYSA-N 1 1 409.486 3.546 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011814813 962197385 /nfs/dbraw/zinc/19/73/85/962197385.db2.gz SEVBAMMHJRMSPD-MRXNPFEDSA-N 1 1 410.967 3.535 50 0 HHAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3CCCn3cccn3)cc2)n1 ZINC000011838297 962201263 /nfs/dbraw/zinc/20/12/63/962201263.db2.gz OMJHYCVNKAQONC-QFIPXVFZSA-N 1 1 406.534 3.569 50 0 HHAAMO O=C(CC[C@H]1CCC[N@H+](C2CCSCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012053092 962230064 /nfs/dbraw/zinc/23/00/64/962230064.db2.gz YUTXLIBAZWRYQA-JOCHJYFZSA-N 1 1 415.647 3.719 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O ZINC000012092951 962236941 /nfs/dbraw/zinc/23/69/41/962236941.db2.gz VNQPVTCILDKDOB-JOCHJYFZSA-N 1 1 405.922 3.880 50 0 HHAAMO COc1cccc(COc2nc3cc(F)ccc3cc2C[NH2+]Cc2cnn(C)c2)c1 ZINC000012161258 962247130 /nfs/dbraw/zinc/24/71/30/962247130.db2.gz SBVWGTYPRRXCPK-UHFFFAOYSA-N 1 1 406.461 3.985 50 0 HHAAMO O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3nsnc3c2)C1 ZINC000012190304 962251305 /nfs/dbraw/zinc/25/13/05/962251305.db2.gz GAWHXMVDMCUJTM-UTKZUKDTSA-N 1 1 410.518 3.957 50 0 HHAAMO COc1ccc(OC)c(CC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000012198631 962252075 /nfs/dbraw/zinc/25/20/75/962252075.db2.gz CZSQNHYIMKRZQP-IBGZPJMESA-N 1 1 400.494 3.508 50 0 HHAAMO COc1ccc(OC)c(CC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000012198631 962252091 /nfs/dbraw/zinc/25/20/91/962252091.db2.gz CZSQNHYIMKRZQP-IBGZPJMESA-N 1 1 400.494 3.508 50 0 HHAAMO CCOc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@@H+]24)cc1CO ZINC000012201363 962252378 /nfs/dbraw/zinc/25/23/78/962252378.db2.gz DBEISLJALRSBCB-FXSPECFOSA-N 1 1 420.553 3.824 50 0 HHAAMO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012305675 962268606 /nfs/dbraw/zinc/26/86/06/962268606.db2.gz QQXYHPSUJGFGLE-KRWDZBQOSA-N 1 1 400.885 3.863 50 0 HHAAMO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012305675 962268623 /nfs/dbraw/zinc/26/86/23/962268623.db2.gz QQXYHPSUJGFGLE-KRWDZBQOSA-N 1 1 400.885 3.863 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012314582 962268699 /nfs/dbraw/zinc/26/86/99/962268699.db2.gz WXMFNKAHJCCSQN-XMMPIXPASA-N 1 1 415.505 3.585 50 0 HHAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F ZINC000012571190 962293435 /nfs/dbraw/zinc/29/34/35/962293435.db2.gz WWAWBPBEZVBSGY-QGZVFWFLSA-N 1 1 412.496 3.683 50 0 HHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)nc(C)n1 ZINC000012708577 962316313 /nfs/dbraw/zinc/31/63/13/962316313.db2.gz XAAMRCVGJKISNR-NRFANRHFSA-N 1 1 410.562 3.519 50 0 HHAAMO CN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012836025 962335009 /nfs/dbraw/zinc/33/50/09/962335009.db2.gz UGFGXJRZQDKEFB-QFIPXVFZSA-N 1 1 406.505 3.807 50 0 HHAAMO CN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012836025 962335026 /nfs/dbraw/zinc/33/50/26/962335026.db2.gz UGFGXJRZQDKEFB-QFIPXVFZSA-N 1 1 406.505 3.807 50 0 HHAAMO CC(C)C[N@@H+]1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000014732438 962563747 /nfs/dbraw/zinc/56/37/47/962563747.db2.gz KIAIIXWLNBROTA-IFMALSPDSA-N 1 1 410.606 3.517 50 0 HHAAMO CC(C)C[N@H+]1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000014732438 962563753 /nfs/dbraw/zinc/56/37/53/962563753.db2.gz KIAIIXWLNBROTA-IFMALSPDSA-N 1 1 410.606 3.517 50 0 HHAAMO C[C@@]1(C2CC[NH+](Cc3cccc(F)c3F)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000014881214 962597436 /nfs/dbraw/zinc/59/74/36/962597436.db2.gz QQRSKISYDKPERH-NRFANRHFSA-N 1 1 419.497 3.749 50 0 HHAAMO O=C(c1ccc(Cl)cc1)N1CCOc2ccc(C[N@@H+]3CCCC[C@@H]3CO)cc2C1 ZINC000014970804 962614466 /nfs/dbraw/zinc/61/44/66/962614466.db2.gz RHLAEWOQNVYLFH-OAQYLSRUSA-N 1 1 414.933 3.722 50 0 HHAAMO O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014999993 962623495 /nfs/dbraw/zinc/62/34/95/962623495.db2.gz JPBFWORVZMRBPC-YADHBBJMSA-N 1 1 406.526 3.513 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1cccn1-c1nccs1)CC2)[C@H]1CCCO1 ZINC000020234856 963386418 /nfs/dbraw/zinc/38/64/18/963386418.db2.gz OLERHWFTEIIYLU-HXUWFJFHSA-N 1 1 408.527 3.610 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1cccn1-c1nccs1)CC2)[C@H]1CCCO1 ZINC000020234856 963386429 /nfs/dbraw/zinc/38/64/29/963386429.db2.gz OLERHWFTEIIYLU-HXUWFJFHSA-N 1 1 408.527 3.610 50 0 HHAAMO CCc1noc(C)c1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055343300 965823743 /nfs/dbraw/zinc/82/37/43/965823743.db2.gz HUIHQQAWHKTCOU-IBGZPJMESA-N 1 1 416.953 3.626 50 0 HHAAMO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C3)c1 ZINC000039353430 966492293 /nfs/dbraw/zinc/49/22/93/966492293.db2.gz LWHZBPGVISUMPF-AUSIDOKSSA-N 1 1 424.516 3.908 50 0 HHAAMO Cn1cnnc1Sc1ccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000096794705 969052134 /nfs/dbraw/zinc/05/21/34/969052134.db2.gz NRQOPZXNHZMNBV-KRWDZBQOSA-N 1 1 415.538 3.795 50 0 HHAAMO CN(Cc1ccc(Sc2nncn2C)o1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000096794705 969052137 /nfs/dbraw/zinc/05/21/37/969052137.db2.gz NRQOPZXNHZMNBV-KRWDZBQOSA-N 1 1 415.538 3.795 50 0 HHAAMO CN(Cc1ccc(Sc2nncn2C)o1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000096794705 969052144 /nfs/dbraw/zinc/05/21/44/969052144.db2.gz NRQOPZXNHZMNBV-KRWDZBQOSA-N 1 1 415.538 3.795 50 0 HHAAMO CCC(=O)N(C1CCOCC1)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000169760529 970470229 /nfs/dbraw/zinc/47/02/29/970470229.db2.gz ULDYXJTVEAUGRR-UHFFFAOYSA-N 1 1 409.368 3.831 50 0 HHAAMO COc1cccc(C(=O)N2CCC3(CC2)C[C@@H]([N@@H+](C)Cc2ccccc2)CCO3)c1 ZINC000169773927 970476926 /nfs/dbraw/zinc/47/69/26/970476926.db2.gz ICQLMISCAYIDQH-QFIPXVFZSA-N 1 1 408.542 3.981 50 0 HHAAMO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23)NCC1CC1 ZINC000257179799 970618464 /nfs/dbraw/zinc/61/84/64/970618464.db2.gz CXZINRSDTORENJ-KBOSCXGNSA-N 1 1 423.601 3.698 50 0 HHAAMO COCCO[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C)s3)CC2)C12CCCCC2 ZINC000257186121 970621224 /nfs/dbraw/zinc/62/12/24/970621224.db2.gz YKJRFHAWAZJCQZ-FQEVSTJZSA-N 1 1 406.592 3.711 50 0 HHAAMO O=C(c1ccccc1)N1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2cccnc2)CC1 ZINC000257187223 970622156 /nfs/dbraw/zinc/62/21/56/970622156.db2.gz AEOKTTNWESXOMH-HSZRJFAPSA-N 1 1 415.541 3.778 50 0 HHAAMO O=C(c1ccccc1)N1CCC([C@@H]2c3nccn3CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000257187223 970622163 /nfs/dbraw/zinc/62/21/63/970622163.db2.gz AEOKTTNWESXOMH-HSZRJFAPSA-N 1 1 415.541 3.778 50 0 HHAAMO O=C1CC[N@@H+](Cc2cccc(F)c2)CCC[C@@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257197154 970625838 /nfs/dbraw/zinc/62/58/38/970625838.db2.gz ZNXGQPDRBWIWJO-GOSISDBHSA-N 1 1 423.492 3.547 50 0 HHAAMO CC(C)C[N@@H+](Cc1cccnc1)C1CN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000257195536 970625991 /nfs/dbraw/zinc/62/59/91/970625991.db2.gz WHKCVLGHYLDQCB-UHFFFAOYSA-N 1 1 408.571 3.993 50 0 HHAAMO C[N@H+]1C[C@@H]2CCCN3CCC[C@H]([C@H]1CCCC(=O)NCc1cc(F)cc(F)c1)[C@H]23 ZINC000257194999 970626354 /nfs/dbraw/zinc/62/63/54/970626354.db2.gz VDZVGSSHVFKIMM-HWLQVEPHSA-N 1 1 405.533 3.556 50 0 HHAAMO CC(C)C[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000409419662 972890887 /nfs/dbraw/zinc/89/08/87/972890887.db2.gz QQVWIJXBHLCFNX-QFIPXVFZSA-N 1 1 410.562 3.896 50 0 HHAAMO CC(C)C[N@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000409419662 972890898 /nfs/dbraw/zinc/89/08/98/972890898.db2.gz QQVWIJXBHLCFNX-QFIPXVFZSA-N 1 1 410.562 3.896 50 0 HHAAMO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(=O)c2ccccc2[nH]1 ZINC000005349875 132305210 /nfs/dbraw/zinc/30/52/10/132305210.db2.gz VXOJNWIYJDGAIT-UHFFFAOYSA-N 1 1 424.932 3.536 50 0 HHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000008132857 132327696 /nfs/dbraw/zinc/32/76/96/132327696.db2.gz XEDNWQHOLPVSBZ-UHFFFAOYSA-N 1 1 422.573 3.584 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccccc1N1CCOCC1 ZINC000008132857 132327699 /nfs/dbraw/zinc/32/76/99/132327699.db2.gz XEDNWQHOLPVSBZ-UHFFFAOYSA-N 1 1 422.573 3.584 50 0 HHAAMO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000009741011 132343204 /nfs/dbraw/zinc/34/32/04/132343204.db2.gz CLASBANNMXYPNE-UHFFFAOYSA-N 1 1 416.403 3.700 50 0 HHAAMO C[N@@H+](CCCNc1cc(C(=O)N2CCOCC2)c2ccccc2n1)Cc1ccccc1 ZINC000032837550 522770964 /nfs/dbraw/zinc/77/09/64/522770964.db2.gz RXAZSAYGLOIFAQ-UHFFFAOYSA-N 1 1 418.541 3.641 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1OC ZINC000020541005 523940688 /nfs/dbraw/zinc/94/06/88/523940688.db2.gz JBFWUMDQWLGYMS-QFIPXVFZSA-N 1 1 410.558 3.778 50 0 HHAAMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000032722548 524910912 /nfs/dbraw/zinc/91/09/12/524910912.db2.gz GJOOTGPPTQJLDA-RBUKOAKNSA-N 1 1 415.965 3.743 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2)C[C@H](C)O1 ZINC000031993679 524991903 /nfs/dbraw/zinc/99/19/03/524991903.db2.gz SDBYEXUKQCLJSS-KDURUIRLSA-N 1 1 423.557 3.942 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2)C[C@H](C)O1 ZINC000031993679 524991916 /nfs/dbraw/zinc/99/19/16/524991916.db2.gz SDBYEXUKQCLJSS-KDURUIRLSA-N 1 1 423.557 3.942 50 0 HHAAMO CSc1ncc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000020557762 526219993 /nfs/dbraw/zinc/21/99/93/526219993.db2.gz GEYIMNSSBYBLAI-UHFFFAOYSA-N 1 1 404.539 3.824 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000032930753 526251702 /nfs/dbraw/zinc/25/17/02/526251702.db2.gz GIFYBHKBFYRIRW-SFHVURJKSA-N 1 1 414.571 3.536 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000043151171 526256520 /nfs/dbraw/zinc/25/65/20/526256520.db2.gz YUOIRBBLTKYSQJ-HSZRJFAPSA-N 1 1 404.558 3.762 50 0 HHAAMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930108 526402619 /nfs/dbraw/zinc/40/26/19/526402619.db2.gz CGZLZDXEZDTWFW-UHFFFAOYSA-N 1 1 424.932 3.961 50 0 HHAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CCC(=O)N1CCOc2ccccc21)C1CCCCC1 ZINC000006798525 535554303 /nfs/dbraw/zinc/55/43/03/535554303.db2.gz GKZJQEYCOHRJCD-LJQANCHMSA-N 1 1 415.578 3.742 50 0 HHAAMO COc1ccc(Nc2nc(N)nc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000001459758 557268199 /nfs/dbraw/zinc/26/81/99/557268199.db2.gz WDYIDAUIWRIEAK-UHFFFAOYSA-N 1 1 404.518 3.661 50 0 HHAAMO Cc1cc(C[NH+]2CCC([C@H]3CCCCCN3S(=O)(=O)c3ccccc3)CC2)on1 ZINC000071889295 557293533 /nfs/dbraw/zinc/29/35/33/557293533.db2.gz BMIKNRKESJRUAZ-JOCHJYFZSA-N 1 1 417.575 3.829 50 0 HHAAMO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4cccc(F)c4)cn3)CC2)cc1 ZINC000034667912 557361385 /nfs/dbraw/zinc/36/13/85/557361385.db2.gz IRZCZHBBUKIHOO-UHFFFAOYSA-N 1 1 420.488 3.804 50 0 HHAAMO O=C(Nc1ccc(Cl)cc1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000034678295 557366543 /nfs/dbraw/zinc/36/65/43/557366543.db2.gz KUUAZFYCHUNABL-UHFFFAOYSA-N 1 1 410.905 3.898 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=S)NC(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855668 557476844 /nfs/dbraw/zinc/47/68/44/557476844.db2.gz FVFIYZBHLSMBHH-HXUWFJFHSA-N 1 1 413.587 3.676 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=S)NC(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855668 557476847 /nfs/dbraw/zinc/47/68/47/557476847.db2.gz FVFIYZBHLSMBHH-HXUWFJFHSA-N 1 1 413.587 3.676 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000004699938 557583467 /nfs/dbraw/zinc/58/34/67/557583467.db2.gz OKQFDSLXVLYUOU-SFHVURJKSA-N 1 1 409.873 3.993 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3ccncc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000004708173 557585468 /nfs/dbraw/zinc/58/54/68/557585468.db2.gz BQIHHMHAOWXNLN-SFHVURJKSA-N 1 1 404.297 3.900 50 0 HHAAMO COc1ccccc1-c1cnn2c1nc(C)cc2N1CCN(c2cccc(C)[nH+]2)CC1 ZINC000005345469 557646056 /nfs/dbraw/zinc/64/60/56/557646056.db2.gz OHGUIBQGRGRQIY-UHFFFAOYSA-N 1 1 414.513 3.743 50 0 HHAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000011754211 558273093 /nfs/dbraw/zinc/27/30/93/558273093.db2.gz ULKCBFMVZPXIAM-LJQANCHMSA-N 1 1 409.509 3.990 50 0 HHAAMO C[NH+]1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000019781951 558281443 /nfs/dbraw/zinc/28/14/43/558281443.db2.gz UYNXLXJNKOKCHY-SILNSSARSA-N 1 1 411.571 3.591 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1C ZINC000019790907 558282396 /nfs/dbraw/zinc/28/23/96/558282396.db2.gz IDSPXTPRHQLSJC-NRFANRHFSA-N 1 1 400.588 3.794 50 0 HHAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000019798900 558285092 /nfs/dbraw/zinc/28/50/92/558285092.db2.gz YWEUUPIJJXPPGJ-JOCHJYFZSA-N 1 1 420.557 3.824 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000011879386 558293834 /nfs/dbraw/zinc/29/38/34/558293834.db2.gz KFAFOGSDCSNULQ-JOCHJYFZSA-N 1 1 405.489 3.878 50 0 HHAAMO CC(C)S(=O)(=O)c1ncc(C[N@H+](C)C(C2CC2)C2CC2)n1Cc1ccccc1F ZINC000011936584 558300493 /nfs/dbraw/zinc/30/04/93/558300493.db2.gz ORKAVMNVWPHTSX-UHFFFAOYSA-N 1 1 419.566 3.873 50 0 HHAAMO CC(C)S(=O)(=O)c1ncc(C[N@@H+](C)C(C2CC2)C2CC2)n1Cc1ccccc1F ZINC000011936584 558300495 /nfs/dbraw/zinc/30/04/95/558300495.db2.gz ORKAVMNVWPHTSX-UHFFFAOYSA-N 1 1 419.566 3.873 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC ZINC000011953854 558303364 /nfs/dbraw/zinc/30/33/64/558303364.db2.gz NOOBJGHOARGYBZ-JOCHJYFZSA-N 1 1 400.544 3.894 50 0 HHAAMO O=C(CC[NH+]1CCN(Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)OCO2 ZINC000019900048 558304721 /nfs/dbraw/zinc/30/47/21/558304721.db2.gz DIFUIZVLIRSVHO-UHFFFAOYSA-N 1 1 417.509 3.715 50 0 HHAAMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019920727 558307115 /nfs/dbraw/zinc/30/71/15/558307115.db2.gz DMNCYDBTVZYWOX-INIZCTEOSA-N 1 1 403.320 3.561 50 0 HHAAMO CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000012041271 558312836 /nfs/dbraw/zinc/31/28/36/558312836.db2.gz SSJMTCBIBDYNSR-GOSISDBHSA-N 1 1 413.541 3.588 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 ZINC000012053371 558314931 /nfs/dbraw/zinc/31/49/31/558314931.db2.gz JHNNAYFIPSSUKS-LJQANCHMSA-N 1 1 415.603 3.724 50 0 HHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 ZINC000012058634 558316928 /nfs/dbraw/zinc/31/69/28/558316928.db2.gz CWSRJSIHKQQKIE-VWLOTQADSA-N 1 1 411.590 3.637 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OC)c(OC)c3OC)C2)cc1F ZINC000012200979 558351303 /nfs/dbraw/zinc/35/13/03/558351303.db2.gz FANWZABIYGJGJQ-INIZCTEOSA-N 1 1 417.477 3.955 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3OC)C2)cc1F ZINC000012200979 558351305 /nfs/dbraw/zinc/35/13/05/558351305.db2.gz FANWZABIYGJGJQ-INIZCTEOSA-N 1 1 417.477 3.955 50 0 HHAAMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020448783 558364071 /nfs/dbraw/zinc/36/40/71/558364071.db2.gz QMQCZWCEWAVKLI-QFIPXVFZSA-N 1 1 401.558 3.725 50 0 HHAAMO Cc1nc2ccccc2nc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020448783 558364074 /nfs/dbraw/zinc/36/40/74/558364074.db2.gz QMQCZWCEWAVKLI-QFIPXVFZSA-N 1 1 401.558 3.725 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 ZINC000012298795 558368728 /nfs/dbraw/zinc/36/87/28/558368728.db2.gz SNJWHKLQKOVAAM-GOSISDBHSA-N 1 1 415.534 3.748 50 0 HHAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020455790 558369550 /nfs/dbraw/zinc/36/95/50/558369550.db2.gz QNDHJIOGOFHUCT-QHCPKHFHSA-N 1 1 420.601 3.985 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](OCc3cccnc3)C2)c(OC)c1 ZINC000012302334 558372080 /nfs/dbraw/zinc/37/20/80/558372080.db2.gz MPUQEFAJZPPQHA-FQEVSTJZSA-N 1 1 408.502 3.670 50 0 HHAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012306524 558375292 /nfs/dbraw/zinc/37/52/92/558375292.db2.gz OTAGIVVZHSLXFJ-HXUWFJFHSA-N 1 1 417.513 3.886 50 0 HHAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1CCCn1cccn1 ZINC000012309035 558377232 /nfs/dbraw/zinc/37/72/32/558377232.db2.gz KTTFAFBFVSWVCQ-QFIPXVFZSA-N 1 1 405.502 3.954 50 0 HHAAMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512109 558382238 /nfs/dbraw/zinc/38/22/38/558382238.db2.gz DSWAEPPSBOJJAM-FQEVSTJZSA-N 1 1 413.566 3.630 50 0 HHAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512109 558382242 /nfs/dbraw/zinc/38/22/42/558382242.db2.gz DSWAEPPSBOJJAM-FQEVSTJZSA-N 1 1 413.566 3.630 50 0 HHAAMO Cc1ccc(OCC[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)cc1 ZINC000020775294 558411700 /nfs/dbraw/zinc/41/17/00/558411700.db2.gz CJVIRGYLXZZCJJ-UHFFFAOYSA-N 1 1 412.559 3.841 50 0 HHAAMO Cc1ccc(OCC[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)cc1 ZINC000020775294 558411702 /nfs/dbraw/zinc/41/17/02/558411702.db2.gz CJVIRGYLXZZCJJ-UHFFFAOYSA-N 1 1 412.559 3.841 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000020914805 558422807 /nfs/dbraw/zinc/42/28/07/558422807.db2.gz WVYJJENTWPOEOL-QFIPXVFZSA-N 1 1 401.576 3.906 50 0 HHAAMO COCCC[N@H+](Cc1cccn1Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000004346777 558427573 /nfs/dbraw/zinc/42/75/73/558427573.db2.gz IZFDUTALZOIYRM-AREMUKBSSA-N 1 1 422.569 3.953 50 0 HHAAMO N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2C[N@H+](Cc3ccccc3)CC=C12 ZINC000001431105 558430637 /nfs/dbraw/zinc/43/06/37/558430637.db2.gz MXCNQLUGHKUFQM-FYYLOGMGSA-N 1 1 409.468 3.751 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000021059582 558430718 /nfs/dbraw/zinc/43/07/18/558430718.db2.gz GBFJHWMAKWJNLQ-IAGOWNOFSA-N 1 1 401.576 3.665 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012579754 558432141 /nfs/dbraw/zinc/43/21/41/558432141.db2.gz SUJQNQYZCKUNNR-NRFANRHFSA-N 1 1 416.562 3.892 50 0 HHAAMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4nccs4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000012701957 558447985 /nfs/dbraw/zinc/44/79/85/558447985.db2.gz XSESKAFHAVBPCY-BPXKWBHBSA-N 1 1 408.527 3.773 50 0 HHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 ZINC000012704263 558448992 /nfs/dbraw/zinc/44/89/92/558448992.db2.gz PWDDMMDAUVYIOL-IBGZPJMESA-N 1 1 403.567 3.936 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000021795141 558449338 /nfs/dbraw/zinc/44/93/38/558449338.db2.gz FMPCKKZAVMUAJO-UHFFFAOYSA-N 1 1 414.941 3.783 50 0 HHAAMO COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000012708592 558451145 /nfs/dbraw/zinc/45/11/45/558451145.db2.gz PJWCSHKOADDQGJ-HXUWFJFHSA-N 1 1 424.541 3.509 50 0 HHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000012713538 558453722 /nfs/dbraw/zinc/45/37/22/558453722.db2.gz OUGOFHJTTPSDML-DEOSSOPVSA-N 1 1 415.530 3.538 50 0 HHAAMO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012790943 558465582 /nfs/dbraw/zinc/46/55/82/558465582.db2.gz NUAWPUCMSTWIJO-UXHICEINSA-N 1 1 419.928 3.653 50 0 HHAAMO CC(=O)NCc1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022294880 558477088 /nfs/dbraw/zinc/47/70/88/558477088.db2.gz HFLYRRWXKXWEAM-GASCZTMLSA-N 1 1 400.548 3.509 50 0 HHAAMO CC(=O)NCc1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022294880 558477090 /nfs/dbraw/zinc/47/70/90/558477090.db2.gz HFLYRRWXKXWEAM-GASCZTMLSA-N 1 1 400.548 3.509 50 0 HHAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Cl)cc1 ZINC000012974998 558490810 /nfs/dbraw/zinc/49/08/10/558490810.db2.gz UPKPDPUVHAEELU-UHFFFAOYSA-N 1 1 412.843 3.905 50 0 HHAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Cl)cc1 ZINC000012974998 558490813 /nfs/dbraw/zinc/49/08/13/558490813.db2.gz UPKPDPUVHAEELU-UHFFFAOYSA-N 1 1 412.843 3.905 50 0 HHAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@@H]1c1ccccc1 ZINC000022913432 558520556 /nfs/dbraw/zinc/52/05/56/558520556.db2.gz YIGBHCPNGVUMGI-LJQANCHMSA-N 1 1 423.586 3.511 50 0 HHAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@@H]1c1ccccc1 ZINC000022913432 558520558 /nfs/dbraw/zinc/52/05/58/558520558.db2.gz YIGBHCPNGVUMGI-LJQANCHMSA-N 1 1 423.586 3.511 50 0 HHAAMO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022916698 558521711 /nfs/dbraw/zinc/52/17/11/558521711.db2.gz HPCOUMLRYSZTCR-RUZDIDTESA-N 1 1 402.538 3.911 50 0 HHAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938407 558527459 /nfs/dbraw/zinc/52/74/59/558527459.db2.gz PHYSHIFZXYXUJD-HXUWFJFHSA-N 1 1 409.530 3.978 50 0 HHAAMO COc1ccc(CC2(CO)CC[NH+](Cc3sc(N(C)C)nc3Cl)CC2)cc1 ZINC000023192242 558541980 /nfs/dbraw/zinc/54/19/80/558541980.db2.gz OPHXRIRSPQGPNL-UHFFFAOYSA-N 1 1 409.983 3.688 50 0 HHAAMO O=C(CN1CC[NH+](Cc2ccc(O)c3ccccc23)CC1)Nc1ccccc1Cl ZINC000023256864 558546281 /nfs/dbraw/zinc/54/62/81/558546281.db2.gz AEDFDTPDZKSJFG-UHFFFAOYSA-N 1 1 409.917 3.955 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000023339135 558550261 /nfs/dbraw/zinc/55/02/61/558550261.db2.gz FEYNIVGNYVZMGU-KRWDZBQOSA-N 1 1 415.559 3.855 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000023339135 558550263 /nfs/dbraw/zinc/55/02/63/558550263.db2.gz FEYNIVGNYVZMGU-KRWDZBQOSA-N 1 1 415.559 3.855 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2nc3ccccc3n2C)C1 ZINC000023340369 558550592 /nfs/dbraw/zinc/55/05/92/558550592.db2.gz GTJYSNXNGBMYCU-FQEVSTJZSA-N 1 1 406.574 3.968 50 0 HHAAMO c1c(CN2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000023358786 558551542 /nfs/dbraw/zinc/55/15/42/558551542.db2.gz GYZCCCHCWUEOMJ-JOCHJYFZSA-N 1 1 416.525 3.607 50 0 HHAAMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024335379 558595111 /nfs/dbraw/zinc/59/51/11/558595111.db2.gz CIBHSPJBQNRTOZ-LJQANCHMSA-N 1 1 410.558 3.900 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)cs2)cc1 ZINC000024574008 558601473 /nfs/dbraw/zinc/60/14/73/558601473.db2.gz WYTLKSGGMZECJT-UHFFFAOYSA-N 1 1 413.587 3.812 50 0 HHAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1C ZINC000014249902 558649530 /nfs/dbraw/zinc/64/95/30/558649530.db2.gz OOEQFEKDISQJPD-UHFFFAOYSA-N 1 1 405.498 3.529 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000014958019 558682965 /nfs/dbraw/zinc/68/29/65/558682965.db2.gz BGBMPEIEYACYKP-NRFANRHFSA-N 1 1 421.513 3.865 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000014958019 558682966 /nfs/dbraw/zinc/68/29/66/558682966.db2.gz BGBMPEIEYACYKP-NRFANRHFSA-N 1 1 421.513 3.865 50 0 HHAAMO OCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014960414 558683914 /nfs/dbraw/zinc/68/39/14/558683914.db2.gz REUJUSLOYQBROL-OAQYLSRUSA-N 1 1 416.537 3.804 50 0 HHAAMO OCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000014960414 558683917 /nfs/dbraw/zinc/68/39/17/558683917.db2.gz REUJUSLOYQBROL-OAQYLSRUSA-N 1 1 416.537 3.804 50 0 HHAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000014963087 558684816 /nfs/dbraw/zinc/68/48/16/558684816.db2.gz LYVQFBNDVGHBEM-NRFANRHFSA-N 1 1 421.541 3.580 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2cc3ccc(F)cc3n(CCOc3ccccc3)c2=O)C[C@H](C)O1 ZINC000014980169 558690977 /nfs/dbraw/zinc/69/09/77/558690977.db2.gz AZLCAUHUPAXJMN-HDICACEKSA-N 1 1 410.489 3.829 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2cc3ccc(F)cc3n(CCOc3ccccc3)c2=O)C[C@H](C)O1 ZINC000014980169 558690980 /nfs/dbraw/zinc/69/09/80/558690980.db2.gz AZLCAUHUPAXJMN-HDICACEKSA-N 1 1 410.489 3.829 50 0 HHAAMO O=C1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccccc1Cl ZINC000014993699 558695543 /nfs/dbraw/zinc/69/55/43/558695543.db2.gz KFLBZKNVDQUPLW-UHFFFAOYSA-N 1 1 412.896 3.899 50 0 HHAAMO O=C1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccccc1Cl ZINC000014993699 558695546 /nfs/dbraw/zinc/69/55/46/558695546.db2.gz KFLBZKNVDQUPLW-UHFFFAOYSA-N 1 1 412.896 3.899 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 ZINC000028293512 558698514 /nfs/dbraw/zinc/69/85/14/558698514.db2.gz SNSPQZGSCWFMOE-UHFFFAOYSA-N 1 1 408.384 3.519 50 0 HHAAMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000015043069 558704300 /nfs/dbraw/zinc/70/43/00/558704300.db2.gz MZJVLQWIRZWYEM-UHFFFAOYSA-N 1 1 412.877 3.946 50 0 HHAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000015075891 558716416 /nfs/dbraw/zinc/71/64/16/558716416.db2.gz CDYMRTUIPBUQAS-UHFFFAOYSA-N 1 1 408.380 3.550 50 0 HHAAMO COc1cc(C[C@@H]2CC(C[NH2+]Cc3ccccc3Cl)=NO2)c(OC)c2c1OCO2 ZINC000015081412 558719157 /nfs/dbraw/zinc/71/91/57/558719157.db2.gz JVMJRTFRSXRUCN-MRXNPFEDSA-N 1 1 418.877 3.563 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018254298 558834916 /nfs/dbraw/zinc/83/49/16/558834916.db2.gz IHOOVROPORGOCH-IBGZPJMESA-N 1 1 408.889 3.728 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2c(F)c(F)cc(F)c2F)C[C@@H](C)O1 ZINC000072312681 558838070 /nfs/dbraw/zinc/83/80/70/558838070.db2.gz WEJWVJNMRDFNHE-CHWSQXEVSA-N 1 1 410.411 3.782 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019143835 558846443 /nfs/dbraw/zinc/84/64/43/558846443.db2.gz HHYWISDZPYYVPE-JOCHJYFZSA-N 1 1 406.574 3.731 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1Cl ZINC000023016816 558863105 /nfs/dbraw/zinc/86/31/05/558863105.db2.gz GBQMDPAKDMZLPA-CRAIPNDOSA-N 1 1 419.978 3.673 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000097953235 558865030 /nfs/dbraw/zinc/86/50/30/558865030.db2.gz ULNZVSBWMWLJBK-BQJUDKOJSA-N 1 1 406.526 3.945 50 0 aggregator HHAAMO Cc1cccc(OC2CC[NH+](Cc3c(C(=O)N4CCCC4)nc4ccccn43)CC2)c1 ZINC000055099866 558872371 /nfs/dbraw/zinc/87/23/71/558872371.db2.gz GUOYDZAWLINBFH-UHFFFAOYSA-N 1 1 418.541 3.922 50 0 HHAAMO CCOc1cc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)ccc1OC ZINC000019362926 558876510 /nfs/dbraw/zinc/87/65/10/558876510.db2.gz OJDQHBZQGYOBQA-UHFFFAOYSA-N 1 1 423.601 3.876 50 0 HHAAMO Cc1cccc(N2CCN(CC[C@@H](C)[NH2+]Cc3csc(-c4ncccn4)n3)CC2)c1 ZINC000057992863 558893218 /nfs/dbraw/zinc/89/32/18/558893218.db2.gz OPWBSVGAIRGHIH-LJQANCHMSA-N 1 1 422.602 3.599 50 0 HHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000058109180 558899337 /nfs/dbraw/zinc/89/93/37/558899337.db2.gz TULPFUOXNIAKGC-CALCHBBNSA-N 1 1 420.517 3.511 50 0 HHAAMO COc1cc(C(=O)N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc(OC)c1OC ZINC000019549539 558914438 /nfs/dbraw/zinc/91/44/38/558914438.db2.gz CNVCJJIBVAHGFN-UHFFFAOYSA-N 1 1 420.509 3.824 50 0 HHAAMO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000058264980 558915549 /nfs/dbraw/zinc/91/55/49/558915549.db2.gz QJBLSCLINGUYJO-OALUTQOASA-N 1 1 403.567 3.739 50 0 HHAAMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000058264980 558915551 /nfs/dbraw/zinc/91/55/51/558915551.db2.gz QJBLSCLINGUYJO-OALUTQOASA-N 1 1 403.567 3.739 50 0 HHAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000058406126 558924505 /nfs/dbraw/zinc/92/45/05/558924505.db2.gz GXEKFWQGFIKXJT-AWEZNQCLSA-N 1 1 401.511 3.595 50 0 HHAAMO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072115779 558926699 /nfs/dbraw/zinc/92/66/99/558926699.db2.gz NORJMIISKHEVFM-UHFFFAOYSA-N 1 1 402.502 3.584 50 0 HHAAMO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000058964797 558931150 /nfs/dbraw/zinc/93/11/50/558931150.db2.gz SJQVWOPKGHARHO-SFHVURJKSA-N 1 1 414.571 3.785 50 0 HHAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1OC ZINC000033068972 558980717 /nfs/dbraw/zinc/98/07/17/558980717.db2.gz WHIQMHQIVQSKPG-UHFFFAOYSA-N 1 1 421.522 3.976 50 0 HHAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1OC ZINC000033068972 558980720 /nfs/dbraw/zinc/98/07/20/558980720.db2.gz WHIQMHQIVQSKPG-UHFFFAOYSA-N 1 1 421.522 3.976 50 0 HHAAMO CCN(C[C@H]1CCCO1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067491073 558986997 /nfs/dbraw/zinc/98/69/97/558986997.db2.gz CYSXQNYTOKBZDL-OAQYLSRUSA-N 1 1 411.546 3.770 50 0 HHAAMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000097032694 558988174 /nfs/dbraw/zinc/98/81/74/558988174.db2.gz JPENHXMKGKNZNF-LJQANCHMSA-N 1 1 414.513 3.801 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)CC1 ZINC000067770904 558992614 /nfs/dbraw/zinc/99/26/14/558992614.db2.gz PSWURDLASJCZPB-NRFANRHFSA-N 1 1 418.541 3.603 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)CC1 ZINC000067770902 558992626 /nfs/dbraw/zinc/99/26/26/558992626.db2.gz PSWURDLASJCZPB-OAQYLSRUSA-N 1 1 418.541 3.603 50 0 HHAAMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1CC ZINC000097164620 558998440 /nfs/dbraw/zinc/99/84/40/558998440.db2.gz QZBDDXVJIIUWLD-AWEZNQCLSA-N 1 1 405.873 3.906 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@@H](C)O1 ZINC000023181997 559031693 /nfs/dbraw/zinc/03/16/93/559031693.db2.gz GGNCAZNPJDDHNB-IAGOWNOFSA-N 1 1 423.557 3.806 50 0 HHAAMO CCCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 ZINC000082097620 559037786 /nfs/dbraw/zinc/03/77/86/559037786.db2.gz JOZRIMGDSFHXFQ-QFIPXVFZSA-N 1 1 412.622 3.939 50 0 HHAAMO Cc1ccc(C)c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082107348 559038420 /nfs/dbraw/zinc/03/84/20/559038420.db2.gz KTRGUMHAZGAPGZ-JOCHJYFZSA-N 1 1 420.601 3.691 50 0 HHAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)o1 ZINC000082120108 559039171 /nfs/dbraw/zinc/03/91/71/559039171.db2.gz FHOYVOMGUMPNAW-JOCHJYFZSA-N 1 1 409.574 3.623 50 0 HHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1)CC[N@H+](Cc1ccccc1)C2 ZINC000033277316 559040211 /nfs/dbraw/zinc/04/02/11/559040211.db2.gz HUVZKLSOIMLZKO-UHFFFAOYSA-N 1 1 416.525 3.564 50 0 HHAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000033277316 559040212 /nfs/dbraw/zinc/04/02/12/559040212.db2.gz HUVZKLSOIMLZKO-UHFFFAOYSA-N 1 1 416.525 3.564 50 0 HHAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000095355801 559079952 /nfs/dbraw/zinc/07/99/52/559079952.db2.gz JTXLDCNKQFTYOR-GEYBBGHHSA-N 1 1 402.554 3.678 50 0 HHAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000095355801 559079953 /nfs/dbraw/zinc/07/99/53/559079953.db2.gz JTXLDCNKQFTYOR-GEYBBGHHSA-N 1 1 402.554 3.678 50 0 HHAAMO Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)no1 ZINC000095524093 559085706 /nfs/dbraw/zinc/08/57/06/559085706.db2.gz MWBCPTRUXYRPJQ-QFIPXVFZSA-N 1 1 401.551 3.619 50 0 HHAAMO Cc1noc(C)c1C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023328547 559166885 /nfs/dbraw/zinc/16/68/85/559166885.db2.gz YJWNDDIPKPFVRO-UHFFFAOYSA-N 1 1 401.510 3.937 50 0 HHAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004843923 559177713 /nfs/dbraw/zinc/17/77/13/559177713.db2.gz QLVMRFDAJXBLIC-UHFFFAOYSA-N 1 1 405.498 3.848 50 0 HHAAMO O=C(c1ccc2c(c1)NC(=O)CS2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023881034 559181530 /nfs/dbraw/zinc/18/15/30/559181530.db2.gz UEKXPCRORHFERP-UHFFFAOYSA-N 1 1 417.534 3.842 50 0 HHAAMO COCc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011840148 559261437 /nfs/dbraw/zinc/26/14/37/559261437.db2.gz AMNFINGMRYOHAW-QFIPXVFZSA-N 1 1 404.457 3.719 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248167135 559267042 /nfs/dbraw/zinc/26/70/42/559267042.db2.gz PAGXHOBXHCWNQO-UGKGYDQZSA-N 1 1 402.510 3.765 50 0 HHAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000079073959 560541134 /nfs/dbraw/zinc/54/11/34/560541134.db2.gz OPRCDQJHOLVEHX-NRFANRHFSA-N 1 1 411.546 3.567 50 0 HHAAMO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000062228998 560587066 /nfs/dbraw/zinc/58/70/66/560587066.db2.gz WBIAMUNDHGLPRS-RXVVDRJESA-N 1 1 409.555 3.660 50 0 HHAAMO CC[N@@H+](C)CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000062580529 560631495 /nfs/dbraw/zinc/63/14/95/560631495.db2.gz HNBZYNIGQRKLBJ-UHFFFAOYSA-N 1 1 411.575 3.554 50 0 HHAAMO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008900118 560640230 /nfs/dbraw/zinc/64/02/30/560640230.db2.gz UOPDOHCIAMCAPZ-HNNXBMFYSA-N 1 1 400.953 3.526 50 0 HHAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000015953529 560650552 /nfs/dbraw/zinc/65/05/52/560650552.db2.gz WFGJVOCYYVXZNG-IEZKXTBUSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC000015953529 560650554 /nfs/dbraw/zinc/65/05/54/560650554.db2.gz WFGJVOCYYVXZNG-IEZKXTBUSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5o4)CC3)C2=O)cc1 ZINC000101490483 560795963 /nfs/dbraw/zinc/79/59/63/560795963.db2.gz IDRBBJQQFUGXQV-HXUWFJFHSA-N 1 1 419.481 3.738 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982477 560858717 /nfs/dbraw/zinc/85/87/17/560858717.db2.gz DQFGLAYYLOBEOW-FCHUYYIVSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984299 560858955 /nfs/dbraw/zinc/85/89/55/560858955.db2.gz FIKUOGRGTTXSKB-FCHUYYIVSA-N 1 1 400.494 3.607 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983615 560859289 /nfs/dbraw/zinc/85/92/89/560859289.db2.gz QTKJEPAJRPVJCC-LEWJYISDSA-N 1 1 402.922 3.733 50 0 HHAAMO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000109037090 568420766 /nfs/dbraw/zinc/42/07/66/568420766.db2.gz DILAHKWSJKHIAP-GJZGRUSLSA-N 1 1 415.347 3.984 50 0 HHAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000109037064 568420784 /nfs/dbraw/zinc/42/07/84/568420784.db2.gz GVFJKWVZCYIVRE-HUUCEWRRSA-N 1 1 402.564 3.829 50 0 HHAAMO Cc1ccc(OCCC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000048289089 568434867 /nfs/dbraw/zinc/43/48/67/568434867.db2.gz KAWROSRJAQBXGN-OYRHEFFESA-N 1 1 410.558 3.998 50 0 HHAAMO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000048289374 568434924 /nfs/dbraw/zinc/43/49/24/568434924.db2.gz WBJOEIDWTGAEEF-UHFFFAOYSA-N 1 1 423.948 3.664 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Cl)ccc1I ZINC000048310182 568436536 /nfs/dbraw/zinc/43/65/36/568436536.db2.gz YPUSLYDKRYILAT-LBPRGKRZSA-N 1 1 420.722 3.939 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000048310421 568436639 /nfs/dbraw/zinc/43/66/39/568436639.db2.gz XZGYRANEBLFPOQ-RMYSCLOFSA-N 1 1 412.599 3.973 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCNC(=O)c3ccccc3)cc2)C1 ZINC000048361668 568441248 /nfs/dbraw/zinc/44/12/48/568441248.db2.gz JMWBNKFKLAKMHT-BGYRXZFFSA-N 1 1 407.558 3.601 50 0 HHAAMO O=C(C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1)NCc1ccccc1Cl ZINC000049403608 568448356 /nfs/dbraw/zinc/44/83/56/568448356.db2.gz XTZQPVJWFHDWKN-UHFFFAOYSA-N 1 1 416.934 3.947 50 0 HHAAMO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000390827946 568591568 /nfs/dbraw/zinc/59/15/68/568591568.db2.gz MIOSFPFSZMLAKQ-SCDRESIJSA-N 1 1 409.574 3.842 50 0 HHAAMO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+](C)CCNC(=O)N(C)C)cc1 ZINC000095467774 568624849 /nfs/dbraw/zinc/62/48/49/568624849.db2.gz XMOZRVBTYFQOKN-UHFFFAOYSA-N 1 1 409.509 3.690 50 0 HHAAMO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000095469058 568625406 /nfs/dbraw/zinc/62/54/06/568625406.db2.gz FVCSRKCIKPWBHB-QFIPXVFZSA-N 1 1 404.514 3.571 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 ZINC000020939758 568652588 /nfs/dbraw/zinc/65/25/88/568652588.db2.gz LSRGLIWBWLSEKM-LJQANCHMSA-N 1 1 414.513 3.713 50 0 HHAAMO COc1ccc(CCC(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000021151497 568672226 /nfs/dbraw/zinc/67/22/26/568672226.db2.gz PQJSPLSENLMZCO-RUZDIDTESA-N 1 1 417.553 3.882 50 0 HHAAMO COc1ccc(CCC(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000021151497 568672228 /nfs/dbraw/zinc/67/22/28/568672228.db2.gz PQJSPLSENLMZCO-RUZDIDTESA-N 1 1 417.553 3.882 50 0 HHAAMO Cc1ccccc1OCC(=O)NC[C@H](c1cccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000021151902 568672649 /nfs/dbraw/zinc/67/26/49/568672649.db2.gz QXXQARZVXWGNAB-HSZRJFAPSA-N 1 1 403.526 3.628 50 0 HHAAMO Cc1ccccc1OCC(=O)NC[C@H](c1cccn1C)[N@H+]1CCc2ccccc2C1 ZINC000021151902 568672651 /nfs/dbraw/zinc/67/26/51/568672651.db2.gz QXXQARZVXWGNAB-HSZRJFAPSA-N 1 1 403.526 3.628 50 0 HHAAMO Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c1 ZINC000021171875 568676512 /nfs/dbraw/zinc/67/65/12/568676512.db2.gz XEKJGUFMMOCVJQ-FQEVSTJZSA-N 1 1 418.541 3.506 50 0 HHAAMO Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000096007064 568683053 /nfs/dbraw/zinc/68/30/53/568683053.db2.gz YCNPXCWMMGCTHT-MRXNPFEDSA-N 1 1 410.486 3.545 50 0 HHAAMO Cc1nn2c(ncc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c2C)c1-c1ccccc1 ZINC000021537994 568713061 /nfs/dbraw/zinc/71/30/61/568713061.db2.gz HYJQZVZHWJDNDV-KRWDZBQOSA-N 1 1 405.546 3.865 50 0 HHAAMO Cc1c2ccc3c(c2oc(=O)c1-c1ccccc1)CN(CCC[NH+]1CCOCC1)CO3 ZINC000012442462 568724651 /nfs/dbraw/zinc/72/46/51/568724651.db2.gz AXYCYXHPJQLKTF-UHFFFAOYSA-N 1 1 420.509 3.643 50 0 HHAAMO COc1cc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)cc(OC)c1 ZINC000096363828 568739692 /nfs/dbraw/zinc/73/96/92/568739692.db2.gz MPLNDJMXOHRSJT-UHFFFAOYSA-N 1 1 415.515 3.640 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030619 568746941 /nfs/dbraw/zinc/74/69/41/568746941.db2.gz XTDZJSDWTQQJIA-CQSZACIVSA-N 1 1 410.415 3.779 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030619 568746944 /nfs/dbraw/zinc/74/69/44/568746944.db2.gz XTDZJSDWTQQJIA-CQSZACIVSA-N 1 1 410.415 3.779 50 0 HHAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794439 568753371 /nfs/dbraw/zinc/75/33/71/568753371.db2.gz QPQCEVZLQNFKTE-UHFFFAOYSA-N 1 1 403.486 3.926 50 0 HHAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794464 568753547 /nfs/dbraw/zinc/75/35/47/568753547.db2.gz FJOCNFJKKCPUCW-UHFFFAOYSA-N 1 1 419.485 3.626 50 0 HHAAMO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[N@H+]5CCC[C@H]5C4)c3n2)cc1 ZINC000002486656 568775221 /nfs/dbraw/zinc/77/52/21/568775221.db2.gz AVXCTAKHTFWYNB-INIZCTEOSA-N 1 1 411.456 3.563 50 0 HHAAMO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[N@H+]5CCC[C@@H]5C4)c3n2)cc1 ZINC000002486658 568775330 /nfs/dbraw/zinc/77/53/30/568775330.db2.gz AVXCTAKHTFWYNB-MRXNPFEDSA-N 1 1 411.456 3.563 50 0 HHAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000056660881 568813548 /nfs/dbraw/zinc/81/35/48/568813548.db2.gz ADBORCLBYCLPMF-HXUWFJFHSA-N 1 1 400.473 3.916 50 0 HHAAMO COc1ccc(CCc2nc3ccccc3c(=O)n2Cc2cn3ccccc3[nH+]2)cc1 ZINC000012529352 568844059 /nfs/dbraw/zinc/84/40/59/568844059.db2.gz MCHUWSKAEUQSLW-UHFFFAOYSA-N 1 1 410.477 3.886 50 0 HHAAMO CC(C)(C)C(=O)COC(=O)c1ccccc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000012586090 568866328 /nfs/dbraw/zinc/86/63/28/568866328.db2.gz BHDZRXLZZZDBQG-UHFFFAOYSA-N 1 1 424.541 3.903 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000058156781 568893345 /nfs/dbraw/zinc/89/33/45/568893345.db2.gz XUQSWQWGKBPUEY-GOSISDBHSA-N 1 1 411.571 3.967 50 0 HHAAMO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 ZINC000004081889 568939151 /nfs/dbraw/zinc/93/91/51/568939151.db2.gz GBAXSNZSWYGVDE-UHFFFAOYSA-N 1 1 407.466 3.941 50 0 biogenic HHAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012753349 568941953 /nfs/dbraw/zinc/94/19/53/568941953.db2.gz HAKXOPFUVAMFQU-UHFFFAOYSA-N 1 1 424.932 3.645 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000012761764 568946017 /nfs/dbraw/zinc/94/60/17/568946017.db2.gz OXDOIHNXBWZNIW-OAQYLSRUSA-N 1 1 415.965 3.733 50 0 HHAAMO Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007985681 568964557 /nfs/dbraw/zinc/96/45/57/568964557.db2.gz LEHLLFRASBBRPG-JOCHJYFZSA-N 1 1 419.525 3.804 50 0 HHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008092420 568973496 /nfs/dbraw/zinc/97/34/96/568973496.db2.gz FJPWBXUXTJWMIK-INIZCTEOSA-N 1 1 421.463 3.931 50 0 HHAAMO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000008092420 568973498 /nfs/dbraw/zinc/97/34/98/568973498.db2.gz FJPWBXUXTJWMIK-INIZCTEOSA-N 1 1 421.463 3.931 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCO2 ZINC000008262204 568985717 /nfs/dbraw/zinc/98/57/17/568985717.db2.gz XFABYQNSCWXFNJ-OAHLLOKOSA-N 1 1 409.511 3.886 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCO2 ZINC000008262204 568985719 /nfs/dbraw/zinc/98/57/19/568985719.db2.gz XFABYQNSCWXFNJ-OAHLLOKOSA-N 1 1 409.511 3.886 50 0 HHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccnc1-c1nc2ccccc2s1 ZINC000008367134 568995531 /nfs/dbraw/zinc/99/55/31/568995531.db2.gz JHVXONMNEJMRFN-QGZVFWFLSA-N 1 1 415.522 3.758 50 0 HHAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)C1CCCCC1 ZINC000015770246 568997442 /nfs/dbraw/zinc/99/74/42/568997442.db2.gz FCFQMQQOZLCLBZ-UHFFFAOYSA-N 1 1 415.607 3.679 50 0 HHAAMO C[N@@H+](CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773976 568998800 /nfs/dbraw/zinc/99/88/00/568998800.db2.gz FGLMFURLORRNFI-XMMPIXPASA-N 1 1 413.521 3.506 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CCO ZINC000104291850 569008181 /nfs/dbraw/zinc/00/81/81/569008181.db2.gz UWWONWUWIUKLFD-HSZRJFAPSA-N 1 1 408.521 3.593 50 0 HHAAMO CC(C)=CC[N@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO ZINC000104481713 569008914 /nfs/dbraw/zinc/00/89/14/569008914.db2.gz JAMOXTCRXMTERV-OAQYLSRUSA-N 1 1 400.954 3.632 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc1 ZINC000104556076 569009080 /nfs/dbraw/zinc/00/90/80/569009080.db2.gz WNYIEJZEOGQMMJ-LJQANCHMSA-N 1 1 404.938 3.513 50 0 HHAAMO O=C(C1=CC[N@H+](Cc2ccccc2F)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015861012 569015468 /nfs/dbraw/zinc/01/54/68/569015468.db2.gz RTSQGHSMMUXBGH-UHFFFAOYSA-N 1 1 413.924 3.960 50 0 HHAAMO O=C(C1=CC[N@@H+](Cc2ccccc2F)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015861012 569015469 /nfs/dbraw/zinc/01/54/69/569015469.db2.gz RTSQGHSMMUXBGH-UHFFFAOYSA-N 1 1 413.924 3.960 50 0 HHAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Cl)c1 ZINC000012893144 569020263 /nfs/dbraw/zinc/02/02/63/569020263.db2.gz RARYVESAXPVPEB-UHFFFAOYSA-N 1 1 412.843 3.905 50 0 HHAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Cl)c1 ZINC000012893144 569020264 /nfs/dbraw/zinc/02/02/64/569020264.db2.gz RARYVESAXPVPEB-UHFFFAOYSA-N 1 1 412.843 3.905 50 0 HHAAMO CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035360391 569033659 /nfs/dbraw/zinc/03/36/59/569033659.db2.gz QYSMBHGVXLFUCQ-XZOQPEGZSA-N 1 1 407.558 3.994 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000006304933 569038698 /nfs/dbraw/zinc/03/86/98/569038698.db2.gz QYDINJGCFUIIJF-BQJUDKOJSA-N 1 1 400.478 3.817 50 0 HHAAMO CCOc1ccc(C[N@H+](CC)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1OC ZINC000012972063 569041363 /nfs/dbraw/zinc/04/13/63/569041363.db2.gz GXHJFSWGKGEFOE-UHFFFAOYSA-N 1 1 422.428 3.876 50 0 HHAAMO CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1OC ZINC000012972063 569041364 /nfs/dbraw/zinc/04/13/64/569041364.db2.gz GXHJFSWGKGEFOE-UHFFFAOYSA-N 1 1 422.428 3.876 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(C)cc2C)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013010429 569050071 /nfs/dbraw/zinc/05/00/71/569050071.db2.gz ZRSGYPONRPMJBX-OAQYLSRUSA-N 1 1 411.502 3.508 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(C)cc2C)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013010429 569050072 /nfs/dbraw/zinc/05/00/72/569050072.db2.gz ZRSGYPONRPMJBX-OAQYLSRUSA-N 1 1 411.502 3.508 50 0 HHAAMO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)o1 ZINC000035717765 569053127 /nfs/dbraw/zinc/05/31/27/569053127.db2.gz XOMPDWHXHRKJJF-OAQYLSRUSA-N 1 1 409.482 3.897 50 0 HHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)o1 ZINC000035717765 569053128 /nfs/dbraw/zinc/05/31/28/569053128.db2.gz XOMPDWHXHRKJJF-OAQYLSRUSA-N 1 1 409.482 3.897 50 0 HHAAMO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 ZINC000252515838 569057981 /nfs/dbraw/zinc/05/79/81/569057981.db2.gz NYQFFWVOAXLMOK-RTBURBONSA-N 1 1 408.420 3.953 50 0 HHAAMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 ZINC000089346030 569058658 /nfs/dbraw/zinc/05/86/58/569058658.db2.gz SBPLCGKIVUVDNY-UHFFFAOYSA-N 1 1 409.958 3.972 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000089442069 569060566 /nfs/dbraw/zinc/06/05/66/569060566.db2.gz SZOVQDGOXZVSNA-SFHVURJKSA-N 1 1 404.894 3.558 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000089442069 569060567 /nfs/dbraw/zinc/06/05/67/569060567.db2.gz SZOVQDGOXZVSNA-SFHVURJKSA-N 1 1 404.894 3.558 50 0 HHAAMO COc1ccc2cc(CNC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000089467149 569060893 /nfs/dbraw/zinc/06/08/93/569060893.db2.gz DGHBWNCMSYZPEQ-XMMPIXPASA-N 1 1 404.510 3.756 50 0 HHAAMO COc1ccc2cc(CNC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc2c1 ZINC000089467149 569060894 /nfs/dbraw/zinc/06/08/94/569060894.db2.gz DGHBWNCMSYZPEQ-XMMPIXPASA-N 1 1 404.510 3.756 50 0 HHAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908069 569065384 /nfs/dbraw/zinc/06/53/84/569065384.db2.gz GJMMNJHLDBUAMN-UYAOXDASSA-N 1 1 409.496 3.836 50 0 HHAAMO COCCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095941 569090087 /nfs/dbraw/zinc/09/00/87/569090087.db2.gz RAKXNOXHRSLQMM-IBGZPJMESA-N 1 1 423.937 3.636 50 0 HHAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)c1OC ZINC000036103777 569092385 /nfs/dbraw/zinc/09/23/85/569092385.db2.gz CVPIDKCEEQLPRF-NRFANRHFSA-N 1 1 405.510 3.879 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)c1OC ZINC000036103777 569092386 /nfs/dbraw/zinc/09/23/86/569092386.db2.gz CVPIDKCEEQLPRF-NRFANRHFSA-N 1 1 405.510 3.879 50 0 HHAAMO CCC[N@@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@@H](O)COc1ccccc1C ZINC000036207043 569109628 /nfs/dbraw/zinc/10/96/28/569109628.db2.gz POOYGCMPGOTVBZ-QGZVFWFLSA-N 1 1 415.559 3.562 50 0 HHAAMO CCC[N@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@@H](O)COc1ccccc1C ZINC000036207043 569109629 /nfs/dbraw/zinc/10/96/29/569109629.db2.gz POOYGCMPGOTVBZ-QGZVFWFLSA-N 1 1 415.559 3.562 50 0 HHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@@H](O)COC ZINC000036208308 569109776 /nfs/dbraw/zinc/10/97/76/569109776.db2.gz DLBYFMAJXWSKAC-LJQANCHMSA-N 1 1 413.518 3.790 50 0 HHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](Cc1ccco1)C[C@@H](O)COC ZINC000036208308 569109777 /nfs/dbraw/zinc/10/97/77/569109777.db2.gz DLBYFMAJXWSKAC-LJQANCHMSA-N 1 1 413.518 3.790 50 0 HHAAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036250194 569119172 /nfs/dbraw/zinc/11/91/72/569119172.db2.gz HQMKGIPXKCEMGF-AVRDEDQJSA-N 1 1 415.553 3.543 50 0 HHAAMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COC(C)C)C1 ZINC000169681672 569127762 /nfs/dbraw/zinc/12/77/62/569127762.db2.gz XNJBVESUFGJTCK-YADHBBJMSA-N 1 1 414.521 3.915 50 0 HHAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000036312155 569132759 /nfs/dbraw/zinc/13/27/59/569132759.db2.gz LPMZJSJISVRSEH-INIZCTEOSA-N 1 1 414.525 3.770 50 0 HHAAMO CC(=O)N(CCC(C)C)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312286 569132789 /nfs/dbraw/zinc/13/27/89/569132789.db2.gz MQEQWQFARRQHTM-UHFFFAOYSA-N 1 1 402.514 3.627 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)CC(C)C ZINC000036313159 569133144 /nfs/dbraw/zinc/13/31/44/569133144.db2.gz LYRIKLAXRXNPNE-INIZCTEOSA-N 1 1 409.596 3.600 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)CC(C)C ZINC000036313159 569133146 /nfs/dbraw/zinc/13/31/46/569133146.db2.gz LYRIKLAXRXNPNE-INIZCTEOSA-N 1 1 409.596 3.600 50 0 HHAAMO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681975 569133860 /nfs/dbraw/zinc/13/38/60/569133860.db2.gz PCQKJBXXDHGCIA-CTNGQTDRSA-N 1 1 417.475 3.705 50 0 HHAAMO CCCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1C ZINC000006873439 569162454 /nfs/dbraw/zinc/16/24/54/569162454.db2.gz MXQVFISFBWPZDH-NRFANRHFSA-N 1 1 411.546 3.821 50 0 HHAAMO CCCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1C ZINC000006873439 569162456 /nfs/dbraw/zinc/16/24/56/569162456.db2.gz MXQVFISFBWPZDH-NRFANRHFSA-N 1 1 411.546 3.821 50 0 HHAAMO Cc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCCCC4)cs3)CC2)cc1F ZINC000065200160 569193649 /nfs/dbraw/zinc/19/36/49/569193649.db2.gz HLEIOTVGFNXLHF-UHFFFAOYSA-N 1 1 402.539 3.539 50 0 HHAAMO Clc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCOCC3)no2)cc1 ZINC000065255098 569207587 /nfs/dbraw/zinc/20/75/87/569207587.db2.gz XMALYONTUBWSJF-UHFFFAOYSA-N 1 1 409.877 3.739 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1ccc(F)cc1 ZINC000065296302 569218892 /nfs/dbraw/zinc/21/88/92/569218892.db2.gz FRHSSUXAYLUXCX-FQEVSTJZSA-N 1 1 409.509 3.920 50 0 HHAAMO O=C(CC[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CCCC1 ZINC000065533853 569234491 /nfs/dbraw/zinc/23/44/91/569234491.db2.gz UIWIPUZZKDVXBL-UHFFFAOYSA-N 1 1 418.891 3.715 50 0 HHAAMO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1Cl ZINC000089905829 569268285 /nfs/dbraw/zinc/26/82/85/569268285.db2.gz RXXDJDHNPGKHFG-MNOVXSKESA-N 1 1 413.827 3.551 50 0 HHAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444104 569285947 /nfs/dbraw/zinc/28/59/47/569285947.db2.gz OWOBMBYGKWKREV-APWZRJJASA-N 1 1 415.534 3.532 50 0 HHAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444104 569285949 /nfs/dbraw/zinc/28/59/49/569285949.db2.gz OWOBMBYGKWKREV-APWZRJJASA-N 1 1 415.534 3.532 50 0 HHAAMO FC(F)(F)c1cccnc1N1CC[NH+](C2CCN(Cc3ccsc3)CC2)CC1 ZINC000252490173 569289589 /nfs/dbraw/zinc/28/95/89/569289589.db2.gz KLBOPXHSVABMOS-UHFFFAOYSA-N 1 1 410.509 3.949 50 0 HHAAMO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)c1noc([C@H](C2CC2)[NH+](C)C)n1 ZINC000252499994 569291013 /nfs/dbraw/zinc/29/10/13/569291013.db2.gz SLKZYRPWVDKMDE-IRXDYDNUSA-N 1 1 402.495 3.705 50 0 HHAAMO [NH3+][C@@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 ZINC000170673828 569297944 /nfs/dbraw/zinc/29/79/44/569297944.db2.gz MJULFQGSWHUCEO-HXUWFJFHSA-N 1 1 416.449 3.577 50 0 HHAAMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc(OC)c1OC ZINC000007797907 569311224 /nfs/dbraw/zinc/31/12/24/569311224.db2.gz NSKGAADEUZKVAW-GOSISDBHSA-N 1 1 418.921 3.933 50 0 HHAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819693 569320709 /nfs/dbraw/zinc/32/07/09/569320709.db2.gz CFMJRLRLXUTYIJ-QHCPKHFHSA-N 1 1 419.654 3.771 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002248235 569324483 /nfs/dbraw/zinc/32/44/83/569324483.db2.gz CZJADOKVOZZRCT-AWEZNQCLSA-N 1 1 409.461 3.869 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002248235 569324484 /nfs/dbraw/zinc/32/44/84/569324484.db2.gz CZJADOKVOZZRCT-AWEZNQCLSA-N 1 1 409.461 3.869 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002279227 569327978 /nfs/dbraw/zinc/32/79/78/569327978.db2.gz IIVIDDUDYYSMQA-TXEJJXNPSA-N 1 1 422.323 3.633 50 0 HHAAMO COc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000079024398 569424546 /nfs/dbraw/zinc/42/45/46/569424546.db2.gz JJYFSVXSZXCTHI-ICSRJNTNSA-N 1 1 402.560 3.741 50 0 HHAAMO COc1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000079073501 569426793 /nfs/dbraw/zinc/42/67/93/569426793.db2.gz YUELTUSGHYOQKI-UHFFFAOYSA-N 1 1 413.562 3.533 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000019881341 569432992 /nfs/dbraw/zinc/43/29/92/569432992.db2.gz GTCAHMKSCHRHET-IGCAKMCNSA-N 1 1 409.917 3.942 50 0 HHAAMO C[NH+](C)C1(CNC[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1 ZINC000039939563 571135080 /nfs/dbraw/zinc/13/50/80/571135080.db2.gz FBVDUDWRHCXGOI-QFIPXVFZSA-N 1 1 410.558 3.511 50 0 HHAAMO CCOc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccccc4O)CC3)n2)cc1 ZINC000040063071 571147699 /nfs/dbraw/zinc/14/76/99/571147699.db2.gz AHROGWNIIAOKTQ-UHFFFAOYSA-N 1 1 422.485 3.692 50 0 HHAAMO Cc1nc(COc2ccccc2C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)no1 ZINC000040087004 571157642 /nfs/dbraw/zinc/15/76/42/571157642.db2.gz AGZGCVLWNVAMOI-UHFFFAOYSA-N 1 1 420.513 3.614 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 ZINC000008944667 571171022 /nfs/dbraw/zinc/17/10/22/571171022.db2.gz RNVFZJHRROIHHK-DNQXCXABSA-N 1 1 408.542 3.929 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 ZINC000008944667 571171024 /nfs/dbraw/zinc/17/10/24/571171024.db2.gz RNVFZJHRROIHHK-DNQXCXABSA-N 1 1 408.542 3.929 50 0 HHAAMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000040120324 571176263 /nfs/dbraw/zinc/17/62/63/571176263.db2.gz XWWPXAIZTUYQID-YESZJQIVSA-N 1 1 401.576 3.583 50 0 HHAAMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000040120324 571176265 /nfs/dbraw/zinc/17/62/65/571176265.db2.gz XWWPXAIZTUYQID-YESZJQIVSA-N 1 1 401.576 3.583 50 0 HHAAMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)nnn1-c1cccc(Cl)c1 ZINC000070012727 571254185 /nfs/dbraw/zinc/25/41/85/571254185.db2.gz ATGQVVROICYBQH-KRWDZBQOSA-N 1 1 401.942 3.756 50 0 HHAAMO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)C(C)C)cc1 ZINC000009517097 571265227 /nfs/dbraw/zinc/26/52/27/571265227.db2.gz KDGFIOQNZNVWRZ-QTJGBDASSA-N 1 1 419.569 3.892 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CCC[C@@H]([N@@H+](C)Cc4ccccc4)C3)[nH]n2)cc1 ZINC000011664409 962158613 /nfs/dbraw/zinc/15/86/13/962158613.db2.gz YJRDDGGLZWNEDX-HXUWFJFHSA-N 1 1 404.514 3.822 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CCC[C@@H]([N@H+](C)Cc4ccccc4)C3)n[nH]2)cc1 ZINC000011664409 962158628 /nfs/dbraw/zinc/15/86/28/962158628.db2.gz YJRDDGGLZWNEDX-HXUWFJFHSA-N 1 1 404.514 3.822 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CCC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n[nH]2)cc1 ZINC000011664409 962158634 /nfs/dbraw/zinc/15/86/34/962158634.db2.gz YJRDDGGLZWNEDX-HXUWFJFHSA-N 1 1 404.514 3.822 50 0 HHAAMO Cc1nc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)cs1 ZINC000011708393 962167286 /nfs/dbraw/zinc/16/72/86/962167286.db2.gz CZNUMMIWCRVWRT-NRFANRHFSA-N 1 1 405.514 3.787 50 0 HHAAMO Cc1nc(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)cs1 ZINC000011708393 962167291 /nfs/dbraw/zinc/16/72/91/962167291.db2.gz CZNUMMIWCRVWRT-NRFANRHFSA-N 1 1 405.514 3.787 50 0 HHAAMO OCC1(C[C@H]2CCCCO2)CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000011775526 962187298 /nfs/dbraw/zinc/18/72/98/962187298.db2.gz ALMYGAADXBDJAR-GOSISDBHSA-N 1 1 405.926 3.924 50 0 HHAAMO CCCCc1nc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)c[nH]1 ZINC000011785235 962191041 /nfs/dbraw/zinc/19/10/41/962191041.db2.gz BGYBSVAVBCFXPZ-NRFANRHFSA-N 1 1 424.589 3.722 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011957540 962215574 /nfs/dbraw/zinc/21/55/74/962215574.db2.gz FZJTVXAOSZNAMM-HSZRJFAPSA-N 1 1 410.606 3.949 50 0 HHAAMO COc1ccc(OC)c(CNC(=O)CC[N@H+]2Cc3cc(Cl)ccc3O[C@H](C)C2)c1 ZINC000012157344 962246261 /nfs/dbraw/zinc/24/62/61/962246261.db2.gz BJABVEKQYQRKNY-OAHLLOKOSA-N 1 1 418.921 3.647 50 0 HHAAMO COc1ccc(OC)c(CNC(=O)CC[N@@H+]2Cc3cc(Cl)ccc3O[C@H](C)C2)c1 ZINC000012157344 962246263 /nfs/dbraw/zinc/24/62/63/962246263.db2.gz BJABVEKQYQRKNY-OAHLLOKOSA-N 1 1 418.921 3.647 50 0 HHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 ZINC000012160324 962247327 /nfs/dbraw/zinc/24/73/27/962247327.db2.gz OZRFPZKWXWFHHQ-JOCHJYFZSA-N 1 1 411.546 3.810 50 0 HHAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)nn1 ZINC000012211811 962254516 /nfs/dbraw/zinc/25/45/16/962254516.db2.gz NSELWRHEZMOQOW-KRWDZBQOSA-N 1 1 409.456 3.616 50 0 HHAAMO CCN(CC)C(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)nn1 ZINC000012211811 962254534 /nfs/dbraw/zinc/25/45/34/962254534.db2.gz NSELWRHEZMOQOW-KRWDZBQOSA-N 1 1 409.456 3.616 50 0 HHAAMO COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012297988 962267244 /nfs/dbraw/zinc/26/72/44/962267244.db2.gz HCGCPEARIYQGAH-MRXNPFEDSA-N 1 1 410.967 3.535 50 0 HHAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)C1 ZINC000012571946 962292997 /nfs/dbraw/zinc/29/29/97/962292997.db2.gz QYEKTTLOOHVOEH-OAQYLSRUSA-N 1 1 412.578 3.804 50 0 HHAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cs1 ZINC000012746273 962324048 /nfs/dbraw/zinc/32/40/48/962324048.db2.gz YEVATURKIOZFDO-SFHVURJKSA-N 1 1 408.527 3.987 50 0 HHAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cs1 ZINC000012746273 962324064 /nfs/dbraw/zinc/32/40/64/962324064.db2.gz YEVATURKIOZFDO-SFHVURJKSA-N 1 1 408.527 3.987 50 0 HHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000012754463 962324415 /nfs/dbraw/zinc/32/44/15/962324415.db2.gz GVTWWAKVYFSOGJ-OAHLLOKOSA-N 1 1 409.511 3.667 50 0 HHAAMO O=C([C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc(O)cc2)C1)N1CCCC1 ZINC000014745105 962567935 /nfs/dbraw/zinc/56/79/35/962567935.db2.gz XVXTXZPNYKWQKU-VQTJNVASSA-N 1 1 412.505 3.671 50 0 HHAAMO Cc1ccc([C@H](C)CC[N@H+]2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 ZINC000014748278 962568120 /nfs/dbraw/zinc/56/81/20/962568120.db2.gz PUNKYBXDPMHCBG-QGZVFWFLSA-N 1 1 406.530 3.803 50 0 HHAAMO C[N@@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCCO2)c1)Cc1cccc2cccnc21 ZINC000014881799 962597284 /nfs/dbraw/zinc/59/72/84/962597284.db2.gz OZPUPBKGYLBNHY-QHCPKHFHSA-N 1 1 419.525 3.541 50 0 HHAAMO O=C(CSc1ccncc1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000020322324 963386077 /nfs/dbraw/zinc/38/60/77/963386077.db2.gz OQDCSOBXEAYNKJ-QHCPKHFHSA-N 1 1 419.550 3.926 50 0 HHAAMO O=C(CSc1ccncc1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000020322324 963386083 /nfs/dbraw/zinc/38/60/83/963386083.db2.gz OQDCSOBXEAYNKJ-QHCPKHFHSA-N 1 1 419.550 3.926 50 0 HHAAMO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCCN(Cc3csc(C(C)=O)c3)C1)CC2 ZINC000020272251 963386116 /nfs/dbraw/zinc/38/61/16/963386116.db2.gz OGQWMKCNUZXABU-HXUWFJFHSA-N 1 1 414.571 3.991 50 0 HHAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(Cc3csc(C(C)=O)c3)C1)CC2 ZINC000020272251 963386123 /nfs/dbraw/zinc/38/61/23/963386123.db2.gz OGQWMKCNUZXABU-HXUWFJFHSA-N 1 1 414.571 3.991 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1cccn1-c1ccccn1)CC2)[C@@H]1CCCO1 ZINC000020451224 963389381 /nfs/dbraw/zinc/38/93/81/963389381.db2.gz GEEAYAFAXYBECL-QFIPXVFZSA-N 1 1 402.498 3.548 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1cccn1-c1ccccn1)CC2)[C@@H]1CCCO1 ZINC000020451224 963389388 /nfs/dbraw/zinc/38/93/88/963389388.db2.gz GEEAYAFAXYBECL-QFIPXVFZSA-N 1 1 402.498 3.548 50 0 HHAAMO Cc1cccc(Cc2nnc(CCC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000023153541 963775945 /nfs/dbraw/zinc/77/59/45/963775945.db2.gz XWECUWZDZLZHKH-JOCHJYFZSA-N 1 1 418.541 3.682 50 0 HHAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000023379572 963812717 /nfs/dbraw/zinc/81/27/17/963812717.db2.gz NTEWOQKWKJCVRE-PKTZIBPZSA-N 1 1 408.542 3.996 50 0 HHAAMO CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1)C(=O)OC ZINC000055569032 965924741 /nfs/dbraw/zinc/92/47/41/965924741.db2.gz NXPKZTPCBXYXDB-JTSKRJEESA-N 1 1 415.578 3.961 50 0 HHAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@H]1O ZINC000042926120 966869657 /nfs/dbraw/zinc/86/96/57/966869657.db2.gz SPPWLMSZZAZBJU-CLJLJLNGSA-N 1 1 401.554 3.858 50 0 HHAAMO CN(CCc1ccccn1)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O ZINC000042926120 966869671 /nfs/dbraw/zinc/86/96/71/966869671.db2.gz SPPWLMSZZAZBJU-CLJLJLNGSA-N 1 1 401.554 3.858 50 0 HHAAMO CN(CCc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1O ZINC000042926120 966869680 /nfs/dbraw/zinc/86/96/80/966869680.db2.gz SPPWLMSZZAZBJU-CLJLJLNGSA-N 1 1 401.554 3.858 50 0 HHAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[N@H+](C)Cc1ccnc2ccccc12 ZINC000063833345 966972349 /nfs/dbraw/zinc/97/23/49/966972349.db2.gz VOQLGLVTRMIPHX-UHFFFAOYSA-N 1 1 407.905 3.870 50 0 HHAAMO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000063833345 966972353 /nfs/dbraw/zinc/97/23/53/966972353.db2.gz VOQLGLVTRMIPHX-UHFFFAOYSA-N 1 1 407.905 3.870 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)/C=C\c1c(C)nn(-c2ccccc2)c1C)[NH+](C)C ZINC000097985632 969181926 /nfs/dbraw/zinc/18/19/26/969181926.db2.gz DNVGLCUSCXKUBD-VJVQGEDVSA-N 1 1 418.541 3.930 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccc(Br)s1)[NH+](C)C ZINC000097985635 969181959 /nfs/dbraw/zinc/18/19/59/969181959.db2.gz YSUFJLHQSQANGB-ZHUYAKLQSA-N 1 1 409.349 3.952 50 0 HHAAMO C[NH+]1CCC(N2CCN(Cc3ccc(C4CCCCC4)s3)C[C@H]2CCO)CC1 ZINC000104529732 969202696 /nfs/dbraw/zinc/20/26/96/969202696.db2.gz FBUKRQYEBSKTAZ-OAQYLSRUSA-N 1 1 405.652 3.759 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000107497282 969309792 /nfs/dbraw/zinc/30/97/92/969309792.db2.gz OPABPTVSICDWEI-RTBURBONSA-N 1 1 421.501 3.675 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000107497282 969309799 /nfs/dbraw/zinc/30/97/99/969309799.db2.gz OPABPTVSICDWEI-RTBURBONSA-N 1 1 421.501 3.675 50 0 HHAAMO Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c2C)no1 ZINC000254492423 970572987 /nfs/dbraw/zinc/57/29/87/970572987.db2.gz VHPYCMSXZVWQSC-YRBAHSOBSA-N 1 1 404.514 3.919 50 0 HHAAMO Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c2C)no1 ZINC000254492423 970572994 /nfs/dbraw/zinc/57/29/94/970572994.db2.gz VHPYCMSXZVWQSC-YRBAHSOBSA-N 1 1 404.514 3.919 50 0 HHAAMO Cc1noc(C)c1Cc1ccc(C(=O)N2CC([N@H+](Cc3cccnc3)CC(C)C)C2)o1 ZINC000257183383 970620083 /nfs/dbraw/zinc/62/00/83/970620083.db2.gz HMSKHMHAOHNXSV-UHFFFAOYSA-N 1 1 422.529 3.853 50 0 HHAAMO COCCO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C)s3)CC2)C12CCCCC2 ZINC000257186122 970621298 /nfs/dbraw/zinc/62/12/98/970621298.db2.gz YKJRFHAWAZJCQZ-HXUWFJFHSA-N 1 1 406.592 3.711 50 0 HHAAMO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2ccc(C)cc2c(NCCCOC)n1 ZINC000299757708 970720783 /nfs/dbraw/zinc/72/07/83/970720783.db2.gz IYEPCRCQNHOHRP-GOSISDBHSA-N 1 1 414.550 3.694 50 0 HHAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc2ccc(C)cc2c(NCCCOC)n1 ZINC000299757708 970720791 /nfs/dbraw/zinc/72/07/91/970720791.db2.gz IYEPCRCQNHOHRP-GOSISDBHSA-N 1 1 414.550 3.694 50 0 HHAAMO COc1cc(C=NN2CC[NH+](Cc3ccc(C)cc3)CC2)cc(Br)c1O ZINC000263629837 970721096 /nfs/dbraw/zinc/72/10/96/970721096.db2.gz KIYXXGUWSNFJGO-UHFFFAOYSA-N 1 1 418.335 3.623 50 0 HHAAMO Cc1nn(C)c(C)c1CN(C(=O)CC[N@@H+]1Cc2cc(C)ccc2O[C@@H](C)C1)C(C)C ZINC000299773714 970722645 /nfs/dbraw/zinc/72/26/45/970722645.db2.gz DJUPVHHIECPROS-SFHVURJKSA-N 1 1 412.578 3.756 50 0 HHAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1Cl ZINC000012516977 132361445 /nfs/dbraw/zinc/36/14/45/132361445.db2.gz GFGSPJZNYBVTBC-MRXNPFEDSA-N 1 1 417.937 3.644 50 0 HHAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1Cl ZINC000012516977 132361446 /nfs/dbraw/zinc/36/14/46/132361446.db2.gz GFGSPJZNYBVTBC-MRXNPFEDSA-N 1 1 417.937 3.644 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccc2)CC1 ZINC000012534079 132362086 /nfs/dbraw/zinc/36/20/86/132362086.db2.gz HEIGLKCAOCLBOE-LJQANCHMSA-N 1 1 420.582 3.825 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246111 520154873 /nfs/dbraw/zinc/15/48/73/520154873.db2.gz WBHSRYLGPIHPBB-HXUWFJFHSA-N 1 1 401.551 3.797 50 0 HHAAMO COc1cc(NC(=O)c2ccc(C[N@@H+]3CCO[C@@H](C)C3)cc2)c(OC)cc1Cl ZINC000032824600 522723965 /nfs/dbraw/zinc/72/39/65/522723965.db2.gz FKZXAJOBZOVTKQ-AWEZNQCLSA-N 1 1 404.894 3.830 50 0 HHAAMO COc1cc(NC(=O)c2ccc(C[N@H+]3CCO[C@@H](C)C3)cc2)c(OC)cc1Cl ZINC000032824600 522723977 /nfs/dbraw/zinc/72/39/77/522723977.db2.gz FKZXAJOBZOVTKQ-AWEZNQCLSA-N 1 1 404.894 3.830 50 0 HHAAMO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888416 523014173 /nfs/dbraw/zinc/01/41/73/523014173.db2.gz AFDYZOZTUHUSTA-PXNSSMCTSA-N 1 1 414.546 3.532 50 0 HHAAMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888415 523162229 /nfs/dbraw/zinc/16/22/29/523162229.db2.gz AFDYZOZTUHUSTA-FXAWDEMLSA-N 1 1 414.546 3.532 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000042963181 523338057 /nfs/dbraw/zinc/33/80/57/523338057.db2.gz ULCWJGDDZDFKNT-XMMPIXPASA-N 1 1 409.505 3.837 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000042963181 523338068 /nfs/dbraw/zinc/33/80/68/523338068.db2.gz ULCWJGDDZDFKNT-XMMPIXPASA-N 1 1 409.505 3.837 50 0 HHAAMO CC[C@](C)(CNC(=O)Nc1ccc(OC)c(OC2CCCC2)c1)[NH+]1CCOCC1 ZINC000044334608 523463770 /nfs/dbraw/zinc/46/37/70/523463770.db2.gz BVRADJDLBGVRCS-JOCHJYFZSA-N 1 1 405.539 3.639 50 0 HHAAMO C[N@@H+]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)[C@H](c2ccccc2)C1 ZINC000032754698 523874307 /nfs/dbraw/zinc/87/43/07/523874307.db2.gz RXRSQIIPEAKERF-QFIPXVFZSA-N 1 1 403.482 3.768 50 0 HHAAMO C[N@H+]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)[C@H](c2ccccc2)C1 ZINC000032754698 523874313 /nfs/dbraw/zinc/87/43/13/523874313.db2.gz RXRSQIIPEAKERF-QFIPXVFZSA-N 1 1 403.482 3.768 50 0 HHAAMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)cc1 ZINC000032885557 524026722 /nfs/dbraw/zinc/02/67/22/524026722.db2.gz KYMHWAOKZHOOQH-UHFFFAOYSA-N 1 1 412.555 3.520 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3=Cc4ccccc4CC3)CC2)cc1 ZINC000032885557 524026727 /nfs/dbraw/zinc/02/67/27/524026727.db2.gz KYMHWAOKZHOOQH-UHFFFAOYSA-N 1 1 412.555 3.520 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)CC2)c1 ZINC000032824708 524549953 /nfs/dbraw/zinc/54/99/53/524549953.db2.gz ALHDHAHVPRZFKE-SFTDATJTSA-N 1 1 407.558 3.567 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccnc(OC4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000031899959 524989916 /nfs/dbraw/zinc/98/99/16/524989916.db2.gz RTXRRYGRTIHFTA-KDURUIRLSA-N 1 1 423.557 3.942 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccnc(OC4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000031899959 524989927 /nfs/dbraw/zinc/98/99/27/524989927.db2.gz RTXRRYGRTIHFTA-KDURUIRLSA-N 1 1 423.557 3.942 50 0 HHAAMO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2c1C ZINC000020583754 525421993 /nfs/dbraw/zinc/42/19/93/525421993.db2.gz WZSHLIIYGFQQJR-UHFFFAOYSA-N 1 1 404.558 3.722 50 0 HHAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541703 526467916 /nfs/dbraw/zinc/46/79/16/526467916.db2.gz IOCXSNIZVMPXIC-HSZRJFAPSA-N 1 1 409.618 3.733 50 0 HHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541703 526467925 /nfs/dbraw/zinc/46/79/25/526467925.db2.gz IOCXSNIZVMPXIC-HSZRJFAPSA-N 1 1 409.618 3.733 50 0 HHAAMO Cn1ccnc1SCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000044652948 527449304 /nfs/dbraw/zinc/44/93/04/527449304.db2.gz HDKMQZLNURWTBN-QGZVFWFLSA-N 1 1 414.531 3.855 50 0 HHAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccccc4)c3)CC2)c1 ZINC000034684815 557388017 /nfs/dbraw/zinc/38/80/17/557388017.db2.gz ZHKKEGZTZDQYOV-UHFFFAOYSA-N 1 1 415.537 3.947 50 0 HHAAMO Brc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000002849604 557403848 /nfs/dbraw/zinc/40/38/48/557403848.db2.gz FGJLNOIZFXEICJ-UHFFFAOYSA-N 1 1 415.335 3.743 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740517 557443722 /nfs/dbraw/zinc/44/37/22/557443722.db2.gz PAGXHOBXHCWNQO-DENIHFKCSA-N 1 1 402.510 3.765 50 0 HHAAMO CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2cc[nH+]c2C)n3C)cc1 ZINC000006665565 557712948 /nfs/dbraw/zinc/71/29/48/557712948.db2.gz VSGSHZWYYJHPKG-UHFFFAOYSA-N 1 1 416.485 3.532 50 0 HHAAMO O[C@H](COc1ccccc1CNCc1cc(-c2ccccc2)n[nH]1)C[NH+]1CCCCC1 ZINC000011662319 558266209 /nfs/dbraw/zinc/26/62/09/558266209.db2.gz KWDKYLRHVJNHMX-QHCPKHFHSA-N 1 1 420.557 3.592 50 0 HHAAMO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000011663449 558267383 /nfs/dbraw/zinc/26/73/83/558267383.db2.gz GSKRPYDSLLVIOX-HXUWFJFHSA-N 1 1 406.452 3.599 50 0 HHAAMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000011663449 558267386 /nfs/dbraw/zinc/26/73/86/558267386.db2.gz GSKRPYDSLLVIOX-HXUWFJFHSA-N 1 1 406.452 3.599 50 0 HHAAMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000011663449 558267389 /nfs/dbraw/zinc/26/73/89/558267389.db2.gz GSKRPYDSLLVIOX-HXUWFJFHSA-N 1 1 406.452 3.599 50 0 HHAAMO Cc1cccc(CN2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCC[NH+](C)C)c1 ZINC000011788831 558276972 /nfs/dbraw/zinc/27/69/72/558276972.db2.gz XWBOYVNADMASHB-VXKWHMMOSA-N 1 1 415.578 3.547 50 0 HHAAMO COc1ccc(/C=C/C(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1OC ZINC000011815887 558279558 /nfs/dbraw/zinc/27/95/58/558279558.db2.gz KLOLXUPXDLHSIL-SDNYCIMKSA-N 1 1 420.553 3.807 50 0 HHAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 ZINC000011816814 558280037 /nfs/dbraw/zinc/28/00/37/558280037.db2.gz RFGKIWZZLKJMGW-SFHVURJKSA-N 1 1 400.519 3.743 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000019774000 558280820 /nfs/dbraw/zinc/28/08/20/558280820.db2.gz JDCDWEDQQHQOHR-GOSISDBHSA-N 1 1 423.586 3.780 50 0 HHAAMO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000019781717 558281151 /nfs/dbraw/zinc/28/11/51/558281151.db2.gz TYBAKKFHVSVKDH-UHFFFAOYSA-N 1 1 402.560 3.752 50 0 HHAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011818742 558281909 /nfs/dbraw/zinc/28/19/09/558281909.db2.gz XEAOYOOEWMDBDA-SFHVURJKSA-N 1 1 411.521 3.789 50 0 HHAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)o1 ZINC000011819163 558282473 /nfs/dbraw/zinc/28/24/73/558282473.db2.gz BFALRJVMXYFOJJ-QGZVFWFLSA-N 1 1 400.548 3.914 50 0 HHAAMO C[N@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)[C@H]1CCOC1 ZINC000019794521 558283929 /nfs/dbraw/zinc/28/39/29/558283929.db2.gz RRQBZVRDXUQYOC-KRWDZBQOSA-N 1 1 404.942 3.615 50 0 HHAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)[C@H]1CCOC1 ZINC000019794521 558283931 /nfs/dbraw/zinc/28/39/31/558283931.db2.gz RRQBZVRDXUQYOC-KRWDZBQOSA-N 1 1 404.942 3.615 50 0 HHAAMO CC(=O)NCCC1CC[NH+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000011844436 558289026 /nfs/dbraw/zinc/28/90/26/558289026.db2.gz VSTGVFHQSOYVEP-UHFFFAOYSA-N 1 1 418.541 3.988 50 0 HHAAMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000011910151 558296658 /nfs/dbraw/zinc/29/66/58/558296658.db2.gz JJNMIPRSAJXCLP-IEBWSBKVSA-N 1 1 415.559 3.879 50 0 HHAAMO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011997362 558307132 /nfs/dbraw/zinc/30/71/32/558307132.db2.gz PZOHRHDNLPUCSI-OAHLLOKOSA-N 1 1 418.896 3.873 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 ZINC000012004183 558308674 /nfs/dbraw/zinc/30/86/74/558308674.db2.gz JKWJECJZNUUZCQ-NRFANRHFSA-N 1 1 410.533 3.741 50 0 HHAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000012041267 558312857 /nfs/dbraw/zinc/31/28/57/558312857.db2.gz SSJMTCBIBDYNSR-SFHVURJKSA-N 1 1 413.541 3.588 50 0 HHAAMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@H]2c1cccnc1 ZINC000020028267 558322775 /nfs/dbraw/zinc/32/27/75/558322775.db2.gz AUGSQLSMKMHBTI-JOCHJYFZSA-N 1 1 414.513 3.936 50 0 HHAAMO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000012091544 558324252 /nfs/dbraw/zinc/32/42/52/558324252.db2.gz QADHOKXPHAWPEF-OAQYLSRUSA-N 1 1 400.563 3.666 50 0 HHAAMO O=S(=O)(C[C@H](C[NH+]1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1 ZINC000020060025 558329133 /nfs/dbraw/zinc/32/91/33/558329133.db2.gz GJUQNXFCNZTWKL-QFIPXVFZSA-N 1 1 400.588 3.954 50 0 HHAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000020357094 558357664 /nfs/dbraw/zinc/35/76/64/558357664.db2.gz GFZWMGRTORNBJU-UHFFFAOYSA-N 1 1 403.526 3.971 50 0 HHAAMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020448780 558364015 /nfs/dbraw/zinc/36/40/15/558364015.db2.gz QMQCZWCEWAVKLI-JOCHJYFZSA-N 1 1 401.558 3.725 50 0 HHAAMO Cc1nc2ccccc2nc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020448780 558364019 /nfs/dbraw/zinc/36/40/19/558364019.db2.gz QMQCZWCEWAVKLI-JOCHJYFZSA-N 1 1 401.558 3.725 50 0 HHAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000012313848 558377527 /nfs/dbraw/zinc/37/75/27/558377527.db2.gz OWMBFJWUVCBSJP-IBGZPJMESA-N 1 1 418.651 3.615 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000012313848 558377528 /nfs/dbraw/zinc/37/75/28/558377528.db2.gz OWMBFJWUVCBSJP-IBGZPJMESA-N 1 1 418.651 3.615 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000020533481 558384570 /nfs/dbraw/zinc/38/45/70/558384570.db2.gz ZIVHAMCYCQHPMW-NDWLXSOOSA-N 1 1 403.526 3.905 50 0 HHAAMO Cn1c(SC[C@@H]2CCCO2)nnc1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000012330916 558385494 /nfs/dbraw/zinc/38/54/94/558385494.db2.gz SATQOWAKIJWUKM-KRWDZBQOSA-N 1 1 408.518 3.744 50 0 HHAAMO CC1CCN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)CC1 ZINC000012429662 558404538 /nfs/dbraw/zinc/40/45/38/558404538.db2.gz SOQNPHDIGLDMEX-UHFFFAOYSA-N 1 1 423.605 3.657 50 0 HHAAMO CCCn1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)c1C ZINC000012430319 558404982 /nfs/dbraw/zinc/40/49/82/558404982.db2.gz KSLOZTCNBJBQOT-DEOSSOPVSA-N 1 1 410.562 3.738 50 0 HHAAMO O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012433810 558407824 /nfs/dbraw/zinc/40/78/24/558407824.db2.gz KZBOBIXDIQYDLH-FQEVSTJZSA-N 1 1 421.589 3.981 50 0 HHAAMO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000012443401 558412944 /nfs/dbraw/zinc/41/29/44/558412944.db2.gz RBYFXNLTCDMPIR-UHFFFAOYSA-N 1 1 416.468 3.909 50 0 HHAAMO CCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cc(OC)ccc2F)C3)c1C ZINC000012446571 558414320 /nfs/dbraw/zinc/41/43/20/558414320.db2.gz JSBIGKXKYQFIOR-HSZRJFAPSA-N 1 1 414.525 3.557 50 0 HHAAMO O=C1CC[N@@H+]([C@@H]2CCc3ccccc3C2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000012455918 558417032 /nfs/dbraw/zinc/41/70/32/558417032.db2.gz DQLYCLRTDREEFZ-LJQANCHMSA-N 1 1 412.917 3.661 50 0 HHAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCCCC[N@H+]2C)CC1 ZINC000012458935 558418554 /nfs/dbraw/zinc/41/85/54/558418554.db2.gz UUHZMHSFRCELPX-FQEVSTJZSA-N 1 1 420.981 3.929 50 0 HHAAMO O=C(Cc1cn2ccsc2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004272 558428565 /nfs/dbraw/zinc/42/85/65/558428565.db2.gz DRZJAKYODVUMFI-UHFFFAOYSA-N 1 1 416.550 3.872 50 0 HHAAMO CCC[N@H+](Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1)CC1CC1 ZINC000012572280 558429400 /nfs/dbraw/zinc/42/94/00/558429400.db2.gz SRKXJKCDHMNPOX-UHFFFAOYSA-N 1 1 411.590 3.799 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@@H](C)O1 ZINC000021064371 558430741 /nfs/dbraw/zinc/43/07/41/558430741.db2.gz YZJQRDPILKRYRZ-HUUCEWRRSA-N 1 1 421.488 3.556 50 0 HHAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 ZINC000012588176 558434876 /nfs/dbraw/zinc/43/48/76/558434876.db2.gz HGZSBEBWQAVVOI-QGZVFWFLSA-N 1 1 413.518 3.502 50 0 HHAAMO COc1ccc([C@H]2CCC[N@H+]2CCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000021583399 558442236 /nfs/dbraw/zinc/44/22/36/558442236.db2.gz XXQFZURLBDLAHU-OAQYLSRUSA-N 1 1 408.498 3.917 50 0 HHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 ZINC000012704257 558448985 /nfs/dbraw/zinc/44/89/85/558448985.db2.gz PWDDMMDAUVYIOL-LJQANCHMSA-N 1 1 403.567 3.936 50 0 HHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012716507 558455366 /nfs/dbraw/zinc/45/53/66/558455366.db2.gz YIBMHRUILJZEHV-LNYGYFNRSA-N 1 1 414.571 3.540 50 0 HHAAMO O[C@H](COCc1ccco1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022030021 558459089 /nfs/dbraw/zinc/45/90/89/558459089.db2.gz XJARCBWQBOGRIF-QHCPKHFHSA-N 1 1 406.526 3.564 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000013595463 558546945 /nfs/dbraw/zinc/54/69/45/558546945.db2.gz GWXQBVBGOBNEOW-LJQANCHMSA-N 1 1 402.535 3.989 50 0 HHAAMO C[C@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CC[N@H+]1C ZINC000023375475 558554746 /nfs/dbraw/zinc/55/47/46/558554746.db2.gz YWMVMYBOCBTWHG-KRWDZBQOSA-N 1 1 417.985 3.530 50 0 HHAAMO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013638107 558555028 /nfs/dbraw/zinc/55/50/28/558555028.db2.gz ZQGGTDDDIJTIOE-IBGZPJMESA-N 1 1 409.442 3.502 50 0 HHAAMO CC(=O)NCC[NH2+][C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000014118637 558621880 /nfs/dbraw/zinc/62/18/80/558621880.db2.gz KXYGHWZMSOQOLL-KRWDZBQOSA-N 1 1 413.827 3.764 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCCCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000024974463 558623618 /nfs/dbraw/zinc/62/36/18/558623618.db2.gz DIEPOBOATGOWGG-IAGOWNOFSA-N 1 1 411.974 3.686 50 0 HHAAMO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000025067608 558630360 /nfs/dbraw/zinc/63/03/60/558630360.db2.gz OQBALKUILJPXBY-ULQDDVLXSA-N 1 1 400.494 3.935 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C[C@@H](C)O1 ZINC000025162430 558633332 /nfs/dbraw/zinc/63/33/32/558633332.db2.gz FFHMFSFPIVSAFE-QZTJIDSGSA-N 1 1 406.530 3.643 50 0 HHAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000025606204 558645595 /nfs/dbraw/zinc/64/55/95/558645595.db2.gz OYEAIDPUMHODSQ-UPVQGACJSA-N 1 1 407.558 3.780 50 0 HHAAMO Cc1ccc(-c2cnc(CCC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)o2)cc1C ZINC000026067471 558654651 /nfs/dbraw/zinc/65/46/51/558654651.db2.gz FATPKIMMONFYHU-NRFANRHFSA-N 1 1 413.562 3.754 50 0 HHAAMO O=C(CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1c(Cl)cccc1Cl ZINC000026134722 558656328 /nfs/dbraw/zinc/65/63/28/558656328.db2.gz PTBVPTQXAOCOIN-MRXNPFEDSA-N 1 1 410.301 3.696 50 0 HHAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1c(Cl)cccc1Cl ZINC000026134729 558656354 /nfs/dbraw/zinc/65/63/54/558656354.db2.gz PTBVPTQXAOCOIN-INIZCTEOSA-N 1 1 410.301 3.696 50 0 HHAAMO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014755722 558671948 /nfs/dbraw/zinc/67/19/48/558671948.db2.gz NTEBRIFZJXECOX-ZHZULCJRSA-N 1 1 424.932 3.590 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015064586 558707605 /nfs/dbraw/zinc/70/76/05/558707605.db2.gz XMSDWRQGCTXPTI-LJQANCHMSA-N 1 1 402.608 3.604 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015077753 558717362 /nfs/dbraw/zinc/71/73/62/558717362.db2.gz HZYSJVHDQRMJPT-OAQYLSRUSA-N 1 1 423.529 3.875 50 0 HHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015078069 558717715 /nfs/dbraw/zinc/71/77/15/558717715.db2.gz GGRPZBIYIVCRSG-JOCHJYFZSA-N 1 1 417.575 3.824 50 0 HHAAMO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879852 558723018 /nfs/dbraw/zinc/72/30/18/558723018.db2.gz KQECKMXLGVCAMF-OKZBNKHCSA-N 1 1 404.514 3.524 50 0 HHAAMO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879852 558723021 /nfs/dbraw/zinc/72/30/21/558723021.db2.gz KQECKMXLGVCAMF-OKZBNKHCSA-N 1 1 404.514 3.524 50 0 HHAAMO C[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305183 558757770 /nfs/dbraw/zinc/75/77/70/558757770.db2.gz ZSRVCDKAMBISGS-UHFFFAOYSA-N 1 1 419.928 3.575 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038945 558769833 /nfs/dbraw/zinc/76/98/33/558769833.db2.gz AHYNLVDLWXUUJO-BQJUDKOJSA-N 1 1 418.468 3.956 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038945 558769836 /nfs/dbraw/zinc/76/98/36/558769836.db2.gz AHYNLVDLWXUUJO-BQJUDKOJSA-N 1 1 418.468 3.956 50 0 HHAAMO COc1cc(C[N@@H+](Cc2cc(=O)n3ccc(C)cc3n2)C2CC2)ccc1OC(F)F ZINC000016424081 558790634 /nfs/dbraw/zinc/79/06/34/558790634.db2.gz ZQKLTXIJXASYPG-UHFFFAOYSA-N 1 1 415.440 3.778 50 0 HHAAMO C[N@@H+]1C[C@@H](c2cccs2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036038355 558796776 /nfs/dbraw/zinc/79/67/76/558796776.db2.gz KREXOOXCKFMSFM-DPSWKAHMSA-N 1 1 416.502 3.886 50 0 HHAAMO C[N@H+]1C[C@@H](c2cccs2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036038355 558796777 /nfs/dbraw/zinc/79/67/77/558796777.db2.gz KREXOOXCKFMSFM-DPSWKAHMSA-N 1 1 416.502 3.886 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146229 558798106 /nfs/dbraw/zinc/79/81/06/558798106.db2.gz KWSJNFCNEDZEJS-PMACEKPBSA-N 1 1 400.494 3.607 50 0 HHAAMO Cc1ccc2nc(N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)[nH]c2c1 ZINC000033070704 558866226 /nfs/dbraw/zinc/86/62/26/558866226.db2.gz HMPHQLCVVFPDSE-UHFFFAOYSA-N 1 1 409.578 3.565 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000055211115 558875968 /nfs/dbraw/zinc/87/59/68/558875968.db2.gz JGGJMODYEXYZLH-QUPCICMCSA-N 1 1 423.532 3.819 50 0 HHAAMO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055226538 558876805 /nfs/dbraw/zinc/87/68/05/558876805.db2.gz IIWDWNYHEGFJHI-JOCHJYFZSA-N 1 1 407.514 3.573 50 0 aggregator HHAAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055226538 558876808 /nfs/dbraw/zinc/87/68/08/558876808.db2.gz IIWDWNYHEGFJHI-JOCHJYFZSA-N 1 1 407.514 3.573 50 0 aggregator HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000019375809 558881938 /nfs/dbraw/zinc/88/19/38/558881938.db2.gz ZSANMKJFUSSBOP-IBGZPJMESA-N 1 1 408.889 3.728 50 0 HHAAMO NC(=O)Nc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000058139654 558901370 /nfs/dbraw/zinc/90/13/70/558901370.db2.gz IEUUIWUJMWGZAG-IBGZPJMESA-N 1 1 406.408 3.570 50 0 HHAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(c2cc(NCCO)[nH+]cn2)C1 ZINC000071764874 558910582 /nfs/dbraw/zinc/91/05/82/558910582.db2.gz YEGHCPFXOSFABV-NRFANRHFSA-N 1 1 402.498 3.647 50 0 HHAAMO CN1CCC([NH2+]Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CC1 ZINC000019537737 558914011 /nfs/dbraw/zinc/91/40/11/558914011.db2.gz SWWWWWRIIOLIRC-UHFFFAOYSA-N 1 1 417.985 3.578 50 0 HHAAMO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000064024046 558961823 /nfs/dbraw/zinc/96/18/23/558961823.db2.gz RPBGKBRNCYDTLV-CQSZACIVSA-N 1 1 408.955 3.710 50 0 HHAAMO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000064024046 558961824 /nfs/dbraw/zinc/96/18/24/558961824.db2.gz RPBGKBRNCYDTLV-CQSZACIVSA-N 1 1 408.955 3.710 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000072418259 558978197 /nfs/dbraw/zinc/97/81/97/558978197.db2.gz DDAYVCCBRHHILS-FQEVSTJZSA-N 1 1 405.498 3.677 50 0 HHAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000067603757 558988196 /nfs/dbraw/zinc/98/81/96/558988196.db2.gz ALOFOEFWSWBGEU-UHFFFAOYSA-N 1 1 401.514 3.501 50 0 HHAAMO CCCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 ZINC000082083821 559036634 /nfs/dbraw/zinc/03/66/34/559036634.db2.gz UMOOROUJGKDEKU-JOCHJYFZSA-N 1 1 412.622 3.939 50 0 HHAAMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082136771 559040259 /nfs/dbraw/zinc/04/02/59/559040259.db2.gz WQDZPJLPSBTMJQ-JOCHJYFZSA-N 1 1 412.622 3.987 50 0 HHAAMO CC(C)(NC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)c1ccccc1 ZINC000082137205 559040289 /nfs/dbraw/zinc/04/02/89/559040289.db2.gz MNXOOURNQVKVFP-QFIPXVFZSA-N 1 1 420.601 3.810 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000095497632 559081807 /nfs/dbraw/zinc/08/18/07/559081807.db2.gz NAEAKXXMQKOGGR-GOSISDBHSA-N 1 1 403.954 3.714 50 0 HHAAMO COc1cc(CN2CC=C(C)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000095511139 559083761 /nfs/dbraw/zinc/08/37/61/559083761.db2.gz UHOMWPWAOSJSPS-JOCHJYFZSA-N 1 1 402.579 3.851 50 0 HHAAMO COc1cc(CN2CC=C(C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000095511139 559083763 /nfs/dbraw/zinc/08/37/63/559083763.db2.gz UHOMWPWAOSJSPS-JOCHJYFZSA-N 1 1 402.579 3.851 50 0 HHAAMO CCCC[N@@H+](CC)CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936700 559211911 /nfs/dbraw/zinc/21/19/11/559211911.db2.gz BEABIJGBRSWTAA-UHFFFAOYSA-N 1 1 403.592 3.742 50 0 HHAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415026 559251030 /nfs/dbraw/zinc/25/10/30/559251030.db2.gz RNSYTVZHTBTVMV-DENIHFKCSA-N 1 1 404.599 3.742 50 0 HHAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409415026 559251031 /nfs/dbraw/zinc/25/10/31/559251031.db2.gz RNSYTVZHTBTVMV-DENIHFKCSA-N 1 1 404.599 3.742 50 0 HHAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409415026 559251033 /nfs/dbraw/zinc/25/10/33/559251033.db2.gz RNSYTVZHTBTVMV-DENIHFKCSA-N 1 1 404.599 3.742 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1 ZINC000100696404 559257368 /nfs/dbraw/zinc/25/73/68/559257368.db2.gz KWPVOQNWZGESIV-INIZCTEOSA-N 1 1 423.517 3.611 50 0 HHAAMO CNC(=O)CN(C)c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000018057227 560774174 /nfs/dbraw/zinc/77/41/74/560774174.db2.gz VAWNQDHFEOVTNB-UHFFFAOYSA-N 1 1 409.559 3.526 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000104937390 560856962 /nfs/dbraw/zinc/85/69/62/560856962.db2.gz OAJNPRWXDHYUHH-AUUYWEPGSA-N 1 1 405.926 3.728 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000104937390 560856965 /nfs/dbraw/zinc/85/69/65/560856965.db2.gz OAJNPRWXDHYUHH-AUUYWEPGSA-N 1 1 405.926 3.728 50 0 HHAAMO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012052040 560887912 /nfs/dbraw/zinc/88/79/12/560887912.db2.gz NQPDSDDOQSKYRK-QFIPXVFZSA-N 1 1 404.457 3.833 50 0 HHAAMO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)o1 ZINC000012052040 560887914 /nfs/dbraw/zinc/88/79/14/560887914.db2.gz NQPDSDDOQSKYRK-QFIPXVFZSA-N 1 1 404.457 3.833 50 0 HHAAMO Cn1cc(/C=C\C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cn1 ZINC000045931985 568422010 /nfs/dbraw/zinc/42/20/10/568422010.db2.gz PQGFLMAJGCCWBP-YVMONPNESA-N 1 1 410.518 3.645 50 0 HHAAMO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000048237365 568433105 /nfs/dbraw/zinc/43/31/05/568433105.db2.gz DILAHKWSJKHIAP-HUUCEWRRSA-N 1 1 415.347 3.984 50 0 HHAAMO COc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1Br ZINC000048290546 568435251 /nfs/dbraw/zinc/43/52/51/568435251.db2.gz ZRJDABAJHRDODY-UHFFFAOYSA-N 1 1 413.356 3.659 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cc2)C1 ZINC000048310990 568436789 /nfs/dbraw/zinc/43/67/89/568436789.db2.gz XMZSTLXYXUFJAL-BGYRXZFFSA-N 1 1 417.557 3.734 50 0 HHAAMO COc1ccc(C[NH+]2CCN(Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000048303003 568437946 /nfs/dbraw/zinc/43/79/46/568437946.db2.gz SFMOJTHTNOCSCR-UHFFFAOYSA-N 1 1 403.526 3.987 50 0 HHAAMO COc1ccc(CN2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000048303003 568437947 /nfs/dbraw/zinc/43/79/47/568437947.db2.gz SFMOJTHTNOCSCR-UHFFFAOYSA-N 1 1 403.526 3.987 50 0 HHAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(I)c2)C1 ZINC000048313416 568439201 /nfs/dbraw/zinc/43/92/01/568439201.db2.gz CAMRPBCXZPQFOW-CQSZACIVSA-N 1 1 400.304 3.533 50 0 HHAAMO CCc1ccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2ccco2)cc1 ZINC000020107734 568588111 /nfs/dbraw/zinc/58/81/11/568588111.db2.gz CNTJWLOGVYTEBJ-UHFFFAOYSA-N 1 1 400.592 3.679 50 0 HHAAMO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000094992626 568593333 /nfs/dbraw/zinc/59/33/33/568593333.db2.gz FPRNTZHJODXXBL-OAQYLSRUSA-N 1 1 409.530 3.597 50 0 HHAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1cccc(F)c1 ZINC000020467738 568610530 /nfs/dbraw/zinc/61/05/30/568610530.db2.gz IBEULPOWMSIESQ-UHFFFAOYSA-N 1 1 424.501 3.610 50 0 HHAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1cccc(F)c1 ZINC000020467738 568610532 /nfs/dbraw/zinc/61/05/32/568610532.db2.gz IBEULPOWMSIESQ-UHFFFAOYSA-N 1 1 424.501 3.610 50 0 HHAAMO CCOc1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)ccc1OCc1c(F)cccc1Cl ZINC000095453834 568615827 /nfs/dbraw/zinc/61/58/27/568615827.db2.gz DIKZDIZLNIONAE-OAHLLOKOSA-N 1 1 406.885 3.764 50 0 HHAAMO CCC[C@H]1CN(C(=O)c2cnn(-c3ccccn3)c2CC)CC[N@H+]1Cc1ccccc1 ZINC000095463284 568621971 /nfs/dbraw/zinc/62/19/71/568621971.db2.gz XBWRVUKLPLISAR-NRFANRHFSA-N 1 1 417.557 3.956 50 0 HHAAMO Cc1nc2n(c1C[NH+]1CCN(c3nc(C)nc4sc5c(c43)CCC5)CC1)CCCC2 ZINC000095467520 568624757 /nfs/dbraw/zinc/62/47/57/568624757.db2.gz OWEDLFKZMVBKOC-UHFFFAOYSA-N 1 1 422.602 3.652 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CSCc2cccc(Cl)c2)o1 ZINC000020730522 568640969 /nfs/dbraw/zinc/64/09/69/568640969.db2.gz HPMLDWJACIHPMG-UHFFFAOYSA-N 1 1 408.951 3.819 50 0 HHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000229428135 568713942 /nfs/dbraw/zinc/71/39/42/568713942.db2.gz BUIGRYTWMJQJQY-FRQCXROJSA-N 1 1 418.559 3.531 50 0 HHAAMO CCc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640346 568727489 /nfs/dbraw/zinc/72/74/89/568727489.db2.gz NMTSLNOARMIEPU-UHFFFAOYSA-N 1 1 413.569 3.924 50 0 HHAAMO CCc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640346 568727490 /nfs/dbraw/zinc/72/74/90/568727490.db2.gz NMTSLNOARMIEPU-UHFFFAOYSA-N 1 1 413.569 3.924 50 0 HHAAMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000018941813 568743808 /nfs/dbraw/zinc/74/38/08/568743808.db2.gz UYJHDKTYHOEFFZ-UHFFFAOYSA-N 1 1 424.453 3.765 50 0 HHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460530 568768576 /nfs/dbraw/zinc/76/85/76/568768576.db2.gz GKAZMXGMTVNCOJ-KXBFYZLASA-N 1 1 406.596 3.941 50 0 HHAAMO CCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000052678020 568775599 /nfs/dbraw/zinc/77/55/99/568775599.db2.gz WKBXSUTUQWSJND-SFHVURJKSA-N 1 1 411.521 3.727 50 0 HHAAMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000057270718 568825526 /nfs/dbraw/zinc/82/55/26/568825526.db2.gz ZZXYQVPCNGHOFK-UHFFFAOYSA-N 1 1 422.710 3.621 50 0 HHAAMO Cc1ccc([C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000057395676 568831575 /nfs/dbraw/zinc/83/15/75/568831575.db2.gz IQRDWKONIKINQK-DEOSSOPVSA-N 1 1 405.473 3.568 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(Cl)c2Cl)N1)OCCCO4 ZINC000012506439 568839214 /nfs/dbraw/zinc/83/92/14/568839214.db2.gz CZTWJBYHOBVEJW-MRXNPFEDSA-N 1 1 404.257 3.601 50 0 HHAAMO C[N@H+](Cc1ccccc1N1CCCCC1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012534635 568844893 /nfs/dbraw/zinc/84/48/93/568844893.db2.gz HFOGBIFMOREPHP-XMMPIXPASA-N 1 1 407.558 3.709 50 0 HHAAMO C[N@@H+](Cc1ccccc1N1CCCCC1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000012534635 568844895 /nfs/dbraw/zinc/84/48/95/568844895.db2.gz HFOGBIFMOREPHP-XMMPIXPASA-N 1 1 407.558 3.709 50 0 HHAAMO O=C(CSc1nc2ccccc2n1C(F)F)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012544433 568849719 /nfs/dbraw/zinc/84/97/19/568849719.db2.gz KXQNVGIODCSAQP-INIZCTEOSA-N 1 1 416.497 3.914 50 0 HHAAMO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000003061442 568852728 /nfs/dbraw/zinc/85/27/28/568852728.db2.gz FNIHLGZDZGVADG-NZCLQKMISA-N 1 1 417.619 3.687 50 0 HHAAMO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058011051 568875922 /nfs/dbraw/zinc/87/59/22/568875922.db2.gz INENECQXBFFEDY-CTNGQTDRSA-N 1 1 413.587 3.673 50 0 HHAAMO Cc1cc(C(=O)C[NH+]2CCCCC2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000003566591 568916410 /nfs/dbraw/zinc/91/64/10/568916410.db2.gz IJLLGONQOBRKCC-UHFFFAOYSA-N 1 1 406.530 3.561 50 0 HHAAMO C[C@@]1(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1(Br)Br ZINC000004028003 568934054 /nfs/dbraw/zinc/93/40/54/568934054.db2.gz AUIXAFHEMKPMJV-SCRDCRAPSA-N 1 1 409.162 3.690 50 0 biogenic HHAAMO COc1ccc([C@@H](CNC(=O)c2coc3ccccc3c2=O)[NH+]2CCCCC2)cc1 ZINC000007988220 568965530 /nfs/dbraw/zinc/96/55/30/568965530.db2.gz XLFJJLRNKJWSDE-OAQYLSRUSA-N 1 1 406.482 3.759 50 0 HHAAMO Cn1cc(C[NH+]2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c2ccccc21 ZINC000066327986 568966172 /nfs/dbraw/zinc/96/61/72/568966172.db2.gz LZVKPJUKUDLSHO-UHFFFAOYSA-N 1 1 405.527 3.588 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@@H+]([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c(OC)c1 ZINC000012809433 568980800 /nfs/dbraw/zinc/98/08/00/568980800.db2.gz SRCOPZFXIITLGO-KSZLIROESA-N 1 1 416.562 3.695 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@H+]([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c(OC)c1 ZINC000012809433 568980802 /nfs/dbraw/zinc/98/08/02/568980802.db2.gz SRCOPZFXIITLGO-KSZLIROESA-N 1 1 416.562 3.695 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NCc1ccc2c(c1)OCO2 ZINC000008261913 568985749 /nfs/dbraw/zinc/98/57/49/568985749.db2.gz ICTVXIKISXUGLX-INIZCTEOSA-N 1 1 409.511 3.521 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NCc1ccc2c(c1)OCO2 ZINC000008261913 568985751 /nfs/dbraw/zinc/98/57/51/568985751.db2.gz ICTVXIKISXUGLX-INIZCTEOSA-N 1 1 409.511 3.521 50 0 HHAAMO CN(Cc1cccnc1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000011937658 568987275 /nfs/dbraw/zinc/98/72/75/568987275.db2.gz UDIJYKSTZDGGFN-UHFFFAOYSA-N 1 1 404.514 3.797 50 0 HHAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008324745 568991198 /nfs/dbraw/zinc/99/11/98/568991198.db2.gz QOJVPQVGSZINPI-CYBMUJFWSA-N 1 1 421.526 3.673 50 0 HHAAMO Cc1cc2ncn(CC3CC[NH+](CC(=O)Nc4ccc5c(c4)OCO5)CC3)c2cc1C ZINC000038488545 568997770 /nfs/dbraw/zinc/99/77/70/568997770.db2.gz CHPCWMJMTSPTSA-UHFFFAOYSA-N 1 1 420.513 3.733 50 0 HHAAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2OC)C3)c1 ZINC000015779083 569001738 /nfs/dbraw/zinc/00/17/38/569001738.db2.gz LLGBERHSZRTFNW-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2OC)C3)c1 ZINC000015779083 569001740 /nfs/dbraw/zinc/00/17/40/569001740.db2.gz LLGBERHSZRTFNW-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(SC)c2)C[C@H]1CCO ZINC000104331716 569008309 /nfs/dbraw/zinc/00/83/09/569008309.db2.gz KPWANDUGASRJNJ-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(SC)c2)C[C@H]1CCO ZINC000104331716 569008310 /nfs/dbraw/zinc/00/83/10/569008310.db2.gz KPWANDUGASRJNJ-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(SC)c2)C[C@H]1CCO ZINC000104331716 569008311 /nfs/dbraw/zinc/00/83/11/569008311.db2.gz KPWANDUGASRJNJ-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(SC)c2)C[C@H]1CCO ZINC000104331716 569008312 /nfs/dbraw/zinc/00/83/12/569008312.db2.gz KPWANDUGASRJNJ-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO ZINC000104491643 569008917 /nfs/dbraw/zinc/00/89/17/569008917.db2.gz MDIKGYXQBWMGSZ-HSZRJFAPSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO ZINC000104491643 569008918 /nfs/dbraw/zinc/00/89/18/569008918.db2.gz MDIKGYXQBWMGSZ-HSZRJFAPSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO ZINC000104491643 569008919 /nfs/dbraw/zinc/00/89/19/569008919.db2.gz MDIKGYXQBWMGSZ-HSZRJFAPSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)C[C@H]1CCO ZINC000104491643 569008920 /nfs/dbraw/zinc/00/89/20/569008920.db2.gz MDIKGYXQBWMGSZ-HSZRJFAPSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(SC)cc2)C[C@H]1CCO ZINC000104526382 569009037 /nfs/dbraw/zinc/00/90/37/569009037.db2.gz WVROFGMJXDHWLD-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(SC)cc2)C[C@H]1CCO ZINC000104526382 569009038 /nfs/dbraw/zinc/00/90/38/569009038.db2.gz WVROFGMJXDHWLD-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(SC)cc2)C[C@H]1CCO ZINC000104526382 569009039 /nfs/dbraw/zinc/00/90/39/569009039.db2.gz WVROFGMJXDHWLD-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(SC)cc2)C[C@H]1CCO ZINC000104526382 569009040 /nfs/dbraw/zinc/00/90/40/569009040.db2.gz WVROFGMJXDHWLD-OAQYLSRUSA-N 1 1 400.588 3.876 50 0 HHAAMO CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 ZINC000104626502 569009052 /nfs/dbraw/zinc/00/90/52/569009052.db2.gz HJJOAPMOSNFVMN-XMMPIXPASA-N 1 1 411.590 3.688 50 0 HHAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(-c4ccco4)cc3)C[C@H]2CCO)CC1 ZINC000104626502 569009053 /nfs/dbraw/zinc/00/90/53/569009053.db2.gz HJJOAPMOSNFVMN-XMMPIXPASA-N 1 1 411.590 3.688 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000012876440 569013732 /nfs/dbraw/zinc/01/37/32/569013732.db2.gz KZKATYPMBBOXDT-UHFFFAOYSA-N 1 1 411.468 3.759 50 0 HHAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000025304298 569033516 /nfs/dbraw/zinc/03/35/16/569033516.db2.gz SFZKRBDTGDINFB-YLJYHZDGSA-N 1 1 402.922 3.568 50 0 HHAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035485532 569039729 /nfs/dbraw/zinc/03/97/29/569039729.db2.gz AGLNKEZIHIEECV-RTFZILSDSA-N 1 1 407.558 3.994 50 0 HHAAMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012986305 569047786 /nfs/dbraw/zinc/04/77/86/569047786.db2.gz JOJQECZZWGIONX-MRXNPFEDSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012986305 569047787 /nfs/dbraw/zinc/04/77/87/569047787.db2.gz JOJQECZZWGIONX-MRXNPFEDSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012986307 569047877 /nfs/dbraw/zinc/04/78/77/569047877.db2.gz JOJQECZZWGIONX-INIZCTEOSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012986307 569047878 /nfs/dbraw/zinc/04/78/78/569047878.db2.gz JOJQECZZWGIONX-INIZCTEOSA-N 1 1 406.452 3.948 50 0 HHAAMO Oc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000012990645 569047966 /nfs/dbraw/zinc/04/79/66/569047966.db2.gz PFKOUXVQOQXHQK-HXUWFJFHSA-N 1 1 420.509 3.746 50 0 HHAAMO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199270 569059077 /nfs/dbraw/zinc/05/90/77/569059077.db2.gz XXEFNKUKVVUJPS-JFSTXAPLSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199270 569059078 /nfs/dbraw/zinc/05/90/78/569059078.db2.gz XXEFNKUKVVUJPS-JFSTXAPLSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199270 569059079 /nfs/dbraw/zinc/05/90/79/569059079.db2.gz XXEFNKUKVVUJPS-JFSTXAPLSA-N 1 1 403.530 3.507 50 0 HHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(F)c4)CC3)n2)cc1 ZINC000064450176 569062788 /nfs/dbraw/zinc/06/27/88/569062788.db2.gz DVYYQBKRIMPDKS-UHFFFAOYSA-N 1 1 405.477 3.939 50 0 HHAAMO Cc1ccc(CN(C(=O)CC(C)C)c2cccc(CC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000035854368 569063072 /nfs/dbraw/zinc/06/30/72/569063072.db2.gz XIXDCQFGISCKOF-UHFFFAOYSA-N 1 1 421.585 3.891 50 0 HHAAMO COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@H+](C4CCCC4)C[C@H]23)c1 ZINC000035870719 569064038 /nfs/dbraw/zinc/06/40/38/569064038.db2.gz BNOFXMNAWAIVGP-LADGPHEKSA-N 1 1 405.542 3.939 50 0 HHAAMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000006587277 569067847 /nfs/dbraw/zinc/06/78/47/569067847.db2.gz PECHKUYZLVKIFG-MRXNPFEDSA-N 1 1 406.357 3.816 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000035991530 569074626 /nfs/dbraw/zinc/07/46/26/569074626.db2.gz JHKPYYWSAIEJND-LJQANCHMSA-N 1 1 405.926 3.585 50 0 HHAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036031678 569081096 /nfs/dbraw/zinc/08/10/96/569081096.db2.gz YHFBFWIDWAPBLV-FQEVSTJZSA-N 1 1 419.493 3.549 50 0 HHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036031678 569081098 /nfs/dbraw/zinc/08/10/98/569081098.db2.gz YHFBFWIDWAPBLV-FQEVSTJZSA-N 1 1 419.493 3.549 50 0 HHAAMO COC(=O)COc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000006668314 569086096 /nfs/dbraw/zinc/08/60/96/569086096.db2.gz ZBQMRCOJHRXJSL-UHFFFAOYSA-N 1 1 418.493 3.879 50 0 HHAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102557 569092103 /nfs/dbraw/zinc/09/21/03/569092103.db2.gz QSXKVNGHHPSOIW-OAQYLSRUSA-N 1 1 409.457 3.997 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145901 569098437 /nfs/dbraw/zinc/09/84/37/569098437.db2.gz FIKUOGRGTTXSKB-VXKWHMMOSA-N 1 1 400.494 3.607 50 0 HHAAMO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145987 569098639 /nfs/dbraw/zinc/09/86/39/569098639.db2.gz BWSRPTIUOMMWHH-PMACEKPBSA-N 1 1 420.912 3.872 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145987 569098641 /nfs/dbraw/zinc/09/86/41/569098641.db2.gz BWSRPTIUOMMWHH-PMACEKPBSA-N 1 1 420.912 3.872 50 0 HHAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)C1CCCCC1 ZINC000064847077 569108346 /nfs/dbraw/zinc/10/83/46/569108346.db2.gz USQTWVVXZXLVSK-UHFFFAOYSA-N 1 1 420.642 3.902 50 0 HHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@H](O)COC ZINC000036208307 569109879 /nfs/dbraw/zinc/10/98/79/569109879.db2.gz DLBYFMAJXWSKAC-IBGZPJMESA-N 1 1 413.518 3.790 50 0 HHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](Cc1ccco1)C[C@H](O)COC ZINC000036208307 569109880 /nfs/dbraw/zinc/10/98/80/569109880.db2.gz DLBYFMAJXWSKAC-IBGZPJMESA-N 1 1 413.518 3.790 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000006751929 569110613 /nfs/dbraw/zinc/11/06/13/569110613.db2.gz OSJADQUVHOOIRF-IBGZPJMESA-N 1 1 410.562 3.507 50 0 HHAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036250075 569119166 /nfs/dbraw/zinc/11/91/66/569119166.db2.gz KBVRXKXCRGPJDG-NRFANRHFSA-N 1 1 417.981 3.669 50 0 HHAAMO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310915 569132088 /nfs/dbraw/zinc/13/20/88/569132088.db2.gz CPSCMVNTGSOXLR-FQEVSTJZSA-N 1 1 420.985 3.917 50 0 HHAAMO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000036310917 569132108 /nfs/dbraw/zinc/13/21/08/569132108.db2.gz MUNTUYIESUNSOK-OAQYLSRUSA-N 1 1 400.567 3.572 50 0 HHAAMO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681976 569133906 /nfs/dbraw/zinc/13/39/06/569133906.db2.gz PCQKJBXXDHGCIA-FPOVZHCZSA-N 1 1 417.475 3.705 50 0 HHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036345607 569143184 /nfs/dbraw/zinc/14/31/84/569143184.db2.gz FXILFCCDRKJBMC-FQEVSTJZSA-N 1 1 409.461 3.718 50 0 HHAAMO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000006895366 569175241 /nfs/dbraw/zinc/17/52/41/569175241.db2.gz KTZVACUHCROSFP-GDLZYMKVSA-N 1 1 414.571 3.986 50 0 HHAAMO Cc1ccc(Oc2nccnc2SCC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000065111031 569178846 /nfs/dbraw/zinc/17/88/46/569178846.db2.gz XSIRUYZQJGHBAQ-KRWDZBQOSA-N 1 1 400.548 3.660 50 0 HHAAMO O=C(c1ccc(Cl)cc1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200106 569193621 /nfs/dbraw/zinc/19/36/21/569193621.db2.gz PBVGKMGCVLUWNQ-UHFFFAOYSA-N 1 1 404.967 3.745 50 0 HHAAMO Cc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCOCC3)no2)cc1C ZINC000065255082 569207596 /nfs/dbraw/zinc/20/75/96/569207596.db2.gz AVWSKINGLVBAAN-UHFFFAOYSA-N 1 1 403.486 3.702 50 0 HHAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2C[N@H+](Cc2ccc(C)cc2)CC3)C1 ZINC000065289677 569218006 /nfs/dbraw/zinc/21/80/06/569218006.db2.gz WSUWEPYVEGZIPQ-HXUWFJFHSA-N 1 1 424.541 3.870 50 0 HHAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc3c2C[N@@H+](Cc2ccc(C)cc2)CC3)C1 ZINC000065289677 569218008 /nfs/dbraw/zinc/21/80/08/569218008.db2.gz WSUWEPYVEGZIPQ-HXUWFJFHSA-N 1 1 424.541 3.870 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000037200217 569240159 /nfs/dbraw/zinc/24/01/59/569240159.db2.gz UOLGGGIFKYDNIY-YJBOKZPZSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000037200217 569240160 /nfs/dbraw/zinc/24/01/60/569240160.db2.gz UOLGGGIFKYDNIY-YJBOKZPZSA-N 1 1 421.522 3.816 50 0 HHAAMO Cc1csc(CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC000170617682 569247735 /nfs/dbraw/zinc/24/77/35/569247735.db2.gz KDEJBRWCAPVMCZ-IRXDYDNUSA-N 1 1 411.493 3.811 50 0 HHAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444159 569285969 /nfs/dbraw/zinc/28/59/69/569285969.db2.gz GVTCJQIUCKSRAQ-SIKLNZKXSA-N 1 1 423.513 3.572 50 0 HHAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444159 569285971 /nfs/dbraw/zinc/28/59/71/569285971.db2.gz GVTCJQIUCKSRAQ-SIKLNZKXSA-N 1 1 423.513 3.572 50 0 HHAAMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444105 569285987 /nfs/dbraw/zinc/28/59/87/569285987.db2.gz OWOBMBYGKWKREV-LPHOPBHVSA-N 1 1 415.534 3.532 50 0 HHAAMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444105 569285989 /nfs/dbraw/zinc/28/59/89/569285989.db2.gz OWOBMBYGKWKREV-LPHOPBHVSA-N 1 1 415.534 3.532 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCCc1c[nH]c2ccccc12 ZINC000007684811 569300680 /nfs/dbraw/zinc/30/06/80/569300680.db2.gz NOWZBMZSZUTOHP-JOCHJYFZSA-N 1 1 419.525 3.825 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCCc1c[nH]c2ccccc12 ZINC000007684811 569300681 /nfs/dbraw/zinc/30/06/81/569300681.db2.gz NOWZBMZSZUTOHP-JOCHJYFZSA-N 1 1 419.525 3.825 50 0 HHAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009585122 569393576 /nfs/dbraw/zinc/39/35/76/569393576.db2.gz LPCAHIIUYWVWTB-JOCHJYFZSA-N 1 1 404.510 3.911 50 0 HHAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009585122 569393577 /nfs/dbraw/zinc/39/35/77/569393577.db2.gz LPCAHIIUYWVWTB-JOCHJYFZSA-N 1 1 404.510 3.911 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226545 569394978 /nfs/dbraw/zinc/39/49/78/569394978.db2.gz BUMLRLBDPOEDHE-FQEVSTJZSA-N 1 1 413.905 3.609 50 0 HHAAMO CC1(C)CCC[C@@H]1[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000079022067 569424400 /nfs/dbraw/zinc/42/44/00/569424400.db2.gz FZTZZRQRGDKMDN-NRFANRHFSA-N 1 1 400.563 3.869 50 0 HHAAMO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CCC2(C1)CCCCCC2 ZINC000079024440 569424656 /nfs/dbraw/zinc/42/46/56/569424656.db2.gz DPJXRJIYNUNUNA-CQSZACIVSA-N 1 1 411.468 3.593 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1)[NH+](C)C ZINC000079107556 569427788 /nfs/dbraw/zinc/42/77/88/569427788.db2.gz ZKSPNYAFDAWPJT-HSZRJFAPSA-N 1 1 418.541 3.856 50 0 HHAAMO COCCn1cc(CCCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079193249 569429356 /nfs/dbraw/zinc/42/93/56/569429356.db2.gz PLWPDPZUFSROQM-NZQKXSOJSA-N 1 1 411.590 3.991 50 0 biogenic HHAAMO C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000008746812 571110927 /nfs/dbraw/zinc/11/09/27/571110927.db2.gz ASKZLALGAJWBAB-UHFFFAOYSA-N 1 1 424.564 3.597 50 0 HHAAMO C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000008746812 571110931 /nfs/dbraw/zinc/11/09/31/571110931.db2.gz ASKZLALGAJWBAB-UHFFFAOYSA-N 1 1 424.564 3.597 50 0 HHAAMO O=C1OCC[C@@H]1N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000040086152 571156862 /nfs/dbraw/zinc/15/68/62/571156862.db2.gz KJNBUERPSJMUGH-KRWDZBQOSA-N 1 1 421.360 3.611 50 0 HHAAMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(C[C@@H]4CCCCO4)CC3)CC2)c1 ZINC000244969027 571210852 /nfs/dbraw/zinc/21/08/52/571210852.db2.gz GUWCLVJGBGJEOW-NRFANRHFSA-N 1 1 411.512 3.861 50 0 HHAAMO O=S(=O)(NCC[NH+]1CCC(c2cccs2)CC1)c1ccc(F)c(Cl)c1 ZINC000077104184 571311682 /nfs/dbraw/zinc/31/16/82/571311682.db2.gz NIYUCUOZDKQQEA-UHFFFAOYSA-N 1 1 402.944 3.699 50 0 HHAAMO COc1ccccc1[C@H]1[C@H]2C[N@@H+](Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033690010 571316265 /nfs/dbraw/zinc/31/62/65/571316265.db2.gz YOBAKVZRCNETJJ-UPVQGACJSA-N 1 1 421.504 3.621 50 0 HHAAMO Cc1cccc(COc2nc3cc(C)ccc3cc2C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000011786012 962190344 /nfs/dbraw/zinc/19/03/44/962190344.db2.gz GDLHBPCTMMIPIB-OAQYLSRUSA-N 1 1 410.539 3.707 50 0 HHAAMO CC(C)C[N@H+]1CC[C@H](CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000011874650 962204703 /nfs/dbraw/zinc/20/47/03/962204703.db2.gz IJBYVXJTAFJFMH-GOSISDBHSA-N 1 1 422.529 3.852 50 0 HHAAMO COC(=O)c1ccc(CN2CC[N@H+]([C@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 ZINC000011909246 962207344 /nfs/dbraw/zinc/20/73/44/962207344.db2.gz IYDGCZIUUHIJQP-LJQANCHMSA-N 1 1 424.541 3.537 50 0 HHAAMO Cc1ncoc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012002617 962221511 /nfs/dbraw/zinc/22/15/11/962221511.db2.gz FOHCVDDJOSPNHB-HXUWFJFHSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1ncoc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012002617 962221524 /nfs/dbraw/zinc/22/15/24/962221524.db2.gz FOHCVDDJOSPNHB-HXUWFJFHSA-N 1 1 402.583 3.566 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@](CCc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000012001068 962221744 /nfs/dbraw/zinc/22/17/44/962221744.db2.gz FQEDZEOLDOHLJN-DEOSSOPVSA-N 1 1 416.562 3.885 50 0 HHAAMO O=C(CC[C@@H]1CCC[N@H+](C2CCSCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012053089 962229586 /nfs/dbraw/zinc/22/95/86/962229586.db2.gz YUTXLIBAZWRYQA-QFIPXVFZSA-N 1 1 415.647 3.719 50 0 HHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 ZINC000012194780 962252478 /nfs/dbraw/zinc/25/24/78/962252478.db2.gz GNZQGDISSJVYHI-GOSISDBHSA-N 1 1 405.498 3.581 50 0 HHAAMO Cc1cccnc1CNc1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000012305184 962268817 /nfs/dbraw/zinc/26/88/17/962268817.db2.gz VAXXHYAMVYWMQR-UHFFFAOYSA-N 1 1 407.562 3.878 50 0 HHAAMO C[C@@H]1C[N@@H+](CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000012456615 962283649 /nfs/dbraw/zinc/28/36/49/962283649.db2.gz GEAJAEVKGHTLRC-OXQOHEQNSA-N 1 1 402.922 3.505 50 0 HHAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F ZINC000012571195 962293699 /nfs/dbraw/zinc/29/36/99/962293699.db2.gz WWAWBPBEZVBSGY-KRWDZBQOSA-N 1 1 412.496 3.683 50 0 HHAAMO O=C(CCc1nc2ccccc2s1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012612740 962301925 /nfs/dbraw/zinc/30/19/25/962301925.db2.gz SRROFXKSNLBOMN-LJQANCHMSA-N 1 1 405.567 3.977 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4nccn4C)C3)cc2)c1 ZINC000015065538 962645678 /nfs/dbraw/zinc/64/56/78/962645678.db2.gz MZZVNPBWTWSPEF-FQEVSTJZSA-N 1 1 404.514 3.946 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4nccn4C)C3)cc2)c1 ZINC000015065538 962645683 /nfs/dbraw/zinc/64/56/83/962645683.db2.gz MZZVNPBWTWSPEF-FQEVSTJZSA-N 1 1 404.514 3.946 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000015078802 962652009 /nfs/dbraw/zinc/65/20/09/962652009.db2.gz UQELNZLKSSJIQV-FQEVSTJZSA-N 1 1 418.497 3.714 50 0 HHAAMO Cc1c(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229005 963357424 /nfs/dbraw/zinc/35/74/24/963357424.db2.gz BUDJSXQMAIQOOF-DEOSSOPVSA-N 1 1 416.569 3.507 50 0 HHAAMO Cc1c(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229005 963357430 /nfs/dbraw/zinc/35/74/30/963357430.db2.gz BUDJSXQMAIQOOF-DEOSSOPVSA-N 1 1 416.569 3.507 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229005 963357433 /nfs/dbraw/zinc/35/74/33/963357433.db2.gz BUDJSXQMAIQOOF-DEOSSOPVSA-N 1 1 416.569 3.507 50 0 HHAAMO CCOc1ccc2nc(CN3CC[N@H+](Cc4ccsc4)[C@@H](CCO)C3)ccc2c1 ZINC000020295842 963385953 /nfs/dbraw/zinc/38/59/53/963385953.db2.gz UEFMQICMWILKST-NRFANRHFSA-N 1 1 411.571 3.764 50 0 HHAAMO CCOc1ccc2nc(CN3CC[N@@H+](Cc4ccsc4)[C@@H](CCO)C3)ccc2c1 ZINC000020295842 963385962 /nfs/dbraw/zinc/38/59/62/963385962.db2.gz UEFMQICMWILKST-NRFANRHFSA-N 1 1 411.571 3.764 50 0 HHAAMO CCOc1ccc2nc(C[N@@H+]3CCN(Cc4ccsc4)[C@@H](CCO)C3)ccc2c1 ZINC000020295842 963385967 /nfs/dbraw/zinc/38/59/67/963385967.db2.gz UEFMQICMWILKST-NRFANRHFSA-N 1 1 411.571 3.764 50 0 HHAAMO CCOc1ccc2nc(C[N@H+]3CCN(Cc4ccsc4)[C@@H](CCO)C3)ccc2c1 ZINC000020295842 963385973 /nfs/dbraw/zinc/38/59/73/963385973.db2.gz UEFMQICMWILKST-NRFANRHFSA-N 1 1 411.571 3.764 50 0 HHAAMO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](N3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780720 963394997 /nfs/dbraw/zinc/39/49/97/963394997.db2.gz ULGWQMOIDSHDAS-XMMPIXPASA-N 1 1 419.569 3.758 50 0 HHAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](N3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780720 963395003 /nfs/dbraw/zinc/39/50/03/963395003.db2.gz ULGWQMOIDSHDAS-XMMPIXPASA-N 1 1 419.569 3.758 50 0 HHAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1C ZINC000020778333 963395147 /nfs/dbraw/zinc/39/51/47/963395147.db2.gz HEMUQYAYZQYXFK-UHFFFAOYSA-N 1 1 423.605 3.501 50 0 HHAAMO FC(F)(F)c1cccc(-c2cnnc(NCC3([NH+]4CCOCC4)CCCC3)n2)c1 ZINC000020773780 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408.533 3.979 50 0 HHAAMO Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000257191549 970623602 /nfs/dbraw/zinc/62/36/02/970623602.db2.gz QQCCWUJHRMWOTH-FQEVSTJZSA-N 1 1 420.525 3.760 50 0 HHAAMO Cc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000257191549 970623608 /nfs/dbraw/zinc/62/36/08/970623608.db2.gz QQCCWUJHRMWOTH-FQEVSTJZSA-N 1 1 420.525 3.760 50 0 HHAAMO Cc1nnc([C@@H]2CC3(C[N@@H+]2CC(C)C)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)o1 ZINC000257192988 970624858 /nfs/dbraw/zinc/62/48/58/970624858.db2.gz WVOSKKDVIVMUOG-FQEVSTJZSA-N 1 1 412.534 3.761 50 0 HHAAMO Oc1ccc(N2CCN(Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000004038377 132270013 /nfs/dbraw/zinc/27/00/13/132270013.db2.gz DQYKELPJRUXTFV-UHFFFAOYSA-N 1 1 409.574 3.969 50 0 HHAAMO CCc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCN(CC)CC2)OCO4)cc1 ZINC000005083716 132300460 /nfs/dbraw/zinc/30/04/60/132300460.db2.gz JOFILLLHNYTSSM-UHFFFAOYSA-N 1 1 417.509 3.899 50 0 HHAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000006798010 132317136 /nfs/dbraw/zinc/31/71/36/132317136.db2.gz JBPKQLDCIMJVQF-FQEVSTJZSA-N 1 1 423.557 3.527 50 0 HHAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007251290 132323140 /nfs/dbraw/zinc/32/31/40/132323140.db2.gz UYZHSLJMORGCAP-FQEVSTJZSA-N 1 1 420.479 3.530 50 0 HHAAMO CSCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)o1 ZINC000012320571 132358524 /nfs/dbraw/zinc/35/85/24/132358524.db2.gz FUHPOASCSDVPQA-IBGZPJMESA-N 1 1 413.587 3.878 50 0 HHAAMO C[N@@H+](Cc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21)C1CCCCC1 ZINC000045793381 523376101 /nfs/dbraw/zinc/37/61/01/523376101.db2.gz GNHJCSIZIKGBRU-UHFFFAOYSA-N 1 1 404.514 3.800 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598579 524558864 /nfs/dbraw/zinc/55/88/64/524558864.db2.gz WMLJKHBEZNJQJG-OAQYLSRUSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598579 524558872 /nfs/dbraw/zinc/55/88/72/524558872.db2.gz WMLJKHBEZNJQJG-OAQYLSRUSA-N 1 1 413.537 3.630 50 0 HHAAMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032873762 525253736 /nfs/dbraw/zinc/25/37/36/525253736.db2.gz WOZKEAJRAMDIOZ-KRWDZBQOSA-N 1 1 409.511 3.906 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](CCCn4cccn4)C3)CC2)c1 ZINC000020542369 527685921 /nfs/dbraw/zinc/68/59/21/527685921.db2.gz JWLKDDYQFIWICX-NRFANRHFSA-N 1 1 421.511 3.579 50 0 HHAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)nc1)c1cccc(F)c1 ZINC000034667877 557361327 /nfs/dbraw/zinc/36/13/27/557361327.db2.gz ABWHYYSXUSBVGG-UHFFFAOYSA-N 1 1 408.452 3.934 50 0 HHAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1 ZINC000034740489 557443819 /nfs/dbraw/zinc/44/38/19/557443819.db2.gz VTNILQFEDOEAIB-NFBKMPQASA-N 1 1 415.553 3.511 50 0 HHAAMO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3C)C2)cc1OC ZINC000004177158 557525081 /nfs/dbraw/zinc/52/50/81/557525081.db2.gz 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COc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011843689 558288467 /nfs/dbraw/zinc/28/84/67/558288467.db2.gz WZHHYVUZZVLARD-HSZRJFAPSA-N 1 1 403.494 3.669 50 0 HHAAMO CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011844151 558289048 /nfs/dbraw/zinc/28/90/48/558289048.db2.gz OYZKSWRYDBSIRJ-FQEVSTJZSA-N 1 1 412.603 3.582 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cnc(SC)nc3)C2)cc1 ZINC000011873391 558291158 /nfs/dbraw/zinc/29/11/58/558291158.db2.gz JTSUBCGXYSTHOI-LJQANCHMSA-N 1 1 400.592 3.594 50 0 HHAAMO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011933632 558298199 /nfs/dbraw/zinc/29/81/99/558298199.db2.gz BIGDQSQTTORBCH-QFIPXVFZSA-N 1 1 404.558 3.900 50 0 HHAAMO COc1cccc(CN2CC[N@H+](C3CCN(c4ccccc4C)CC3)C[C@@H]2CCO)c1 ZINC000019866913 558298836 /nfs/dbraw/zinc/29/88/36/558298836.db2.gz GDIWPBQWHPQJDD-DEOSSOPVSA-N 1 1 423.601 3.541 50 0 HHAAMO O=C(c1n[nH]c2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011935484 558299459 /nfs/dbraw/zinc/29/94/59/558299459.db2.gz IUXJRQBVXSUARW-QHCPKHFHSA-N 1 1 410.468 3.969 50 0 HHAAMO O=C(c1n[nH]c2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011935484 558299462 /nfs/dbraw/zinc/29/94/62/558299462.db2.gz IUXJRQBVXSUARW-QHCPKHFHSA-N 1 1 410.468 3.969 50 0 HHAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011972313 558305032 /nfs/dbraw/zinc/30/50/32/558305032.db2.gz FSRFRQJDNLZVKY-QGZVFWFLSA-N 1 1 415.497 3.574 50 0 HHAAMO OCCOc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000012037417 558312064 /nfs/dbraw/zinc/31/20/64/558312064.db2.gz XYWNZGNMAHSKAB-VWLOTQADSA-N 1 1 419.521 3.728 50 0 HHAAMO OCCOc1ccc(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000012037417 558312066 /nfs/dbraw/zinc/31/20/66/558312066.db2.gz XYWNZGNMAHSKAB-VWLOTQADSA-N 1 1 419.521 3.728 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012037957 558312425 /nfs/dbraw/zinc/31/24/25/558312425.db2.gz DJCLUIPQOMNOFA-MRXNPFEDSA-N 1 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CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020233042 558350502 /nfs/dbraw/zinc/35/05/02/558350502.db2.gz ZZSNVTPHBYFXFB-BQJUDKOJSA-N 1 1 418.468 3.956 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020233042 558350504 /nfs/dbraw/zinc/35/05/04/558350504.db2.gz ZZSNVTPHBYFXFB-BQJUDKOJSA-N 1 1 418.468 3.956 50 0 HHAAMO CC[C@H](C)[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)OC ZINC000020403778 558359797 /nfs/dbraw/zinc/35/97/97/558359797.db2.gz POHILCHOFCRIBO-UGKGYDQZSA-N 1 1 423.557 3.691 50 0 HHAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000012299334 558369177 /nfs/dbraw/zinc/36/91/77/558369177.db2.gz IYKQQVYKRGEGBZ-OAQYLSRUSA-N 1 1 416.522 3.516 50 0 HHAAMO C[C@@H]1CCCN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000012301127 558370892 /nfs/dbraw/zinc/37/08/92/558370892.db2.gz VWDDKSRBBGCSLF-HXUWFJFHSA-N 1 1 423.605 3.657 50 0 HHAAMO Cn1ncc2c1ncnc2N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020661892 558397878 /nfs/dbraw/zinc/39/78/78/558397878.db2.gz PQEAOOFTUKSTKS-OAQYLSRUSA-N 1 1 418.932 3.928 50 0 HHAAMO Cc1cccn2c(C[N@H+]3CC[C@@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012434051 558407759 /nfs/dbraw/zinc/40/77/59/558407759.db2.gz SPNPRRBGAOQNNS-HXUWFJFHSA-N 1 1 410.562 3.517 50 0 HHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4OC)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012439981 558411477 /nfs/dbraw/zinc/41/14/77/558411477.db2.gz FEDKGUMDQKFHEE-PZGSVQSZSA-N 1 1 422.525 3.650 50 0 HHAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000020778192 558412521 /nfs/dbraw/zinc/41/25/21/558412521.db2.gz YBTOGCMWWUFSLW-HXUWFJFHSA-N 1 1 419.525 3.588 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012443199 558412885 /nfs/dbraw/zinc/41/28/85/558412885.db2.gz UWTBLEWZRVVWBZ-GOSISDBHSA-N 1 1 412.505 3.624 50 0 HHAAMO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012457102 558417536 /nfs/dbraw/zinc/41/75/36/558417536.db2.gz SEFFOPUJLQTDRQ-HNNXBMFYSA-N 1 1 418.896 3.873 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000020914800 558422725 /nfs/dbraw/zinc/42/27/25/558422725.db2.gz WVYJJENTWPOEOL-JOCHJYFZSA-N 1 1 401.576 3.906 50 0 HHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCc2cnn(C)c2)c1 ZINC000020914975 558422773 /nfs/dbraw/zinc/42/27/73/558422773.db2.gz ZEGHSIWIFGLNFH-UHFFFAOYSA-N 1 1 401.514 3.956 50 0 HHAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012475933 558422933 /nfs/dbraw/zinc/42/29/33/558422933.db2.gz XISGKDPRTZVVOW-NRFANRHFSA-N 1 1 405.926 3.708 50 0 HHAAMO O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012802730 558472190 /nfs/dbraw/zinc/47/21/90/558472190.db2.gz VRXMMHHXBXJTRR-ZJSXRUAMSA-N 1 1 423.557 3.957 50 0 HHAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013039968 558506465 /nfs/dbraw/zinc/50/64/65/558506465.db2.gz OSBAIIBVIRMEFM-ZDUSSCGKSA-N 1 1 424.328 3.750 50 0 HHAAMO CCC(CC)[C@@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)[NH+]1CCOCC1 ZINC000022755567 558508162 /nfs/dbraw/zinc/50/81/62/558508162.db2.gz CPGMPZDFFWWFAL-HSZRJFAPSA-N 1 1 410.562 3.617 50 0 HHAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022788936 558511650 /nfs/dbraw/zinc/51/16/50/558511650.db2.gz UIFCQKAFIQCNEA-HNNXBMFYSA-N 1 1 416.447 3.821 50 0 HHAAMO CN1CC[NH+](CC[C@H]2CCCCN2C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022935462 558526417 /nfs/dbraw/zinc/52/64/17/558526417.db2.gz ZXLZRVCDAJTTRE-GOSISDBHSA-N 1 1 414.541 3.894 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000013594958 558546934 /nfs/dbraw/zinc/54/69/34/558546934.db2.gz QHSQMXUGWJUSOH-IBGZPJMESA-N 1 1 405.498 3.984 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 ZINC000023340039 558550665 /nfs/dbraw/zinc/55/06/65/558550665.db2.gz FCIXDBXTCRSKHK-JOCHJYFZSA-N 1 1 421.545 3.673 50 0 HHAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](C)CC1)occ3C(C)(C)C ZINC000013627871 558551443 /nfs/dbraw/zinc/55/14/43/558551443.db2.gz HPVNVAHCEXZODG-UHFFFAOYSA-N 1 1 410.514 3.852 50 0 HHAAMO COc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc(Cl)c1OC ZINC000023360481 558552069 /nfs/dbraw/zinc/55/20/69/558552069.db2.gz BTHCLNVNFNWBHX-FQEVSTJZSA-N 1 1 418.965 3.734 50 0 HHAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@H+]1CCCc1ccccc1 ZINC000023373895 558553570 /nfs/dbraw/zinc/55/35/70/558553570.db2.gz AXEXRAZVQLVEKS-QHCPKHFHSA-N 1 1 422.548 3.513 50 0 HHAAMO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000023389291 558556478 /nfs/dbraw/zinc/55/64/78/558556478.db2.gz ZEXDNUBORNYOOO-JPYJTQIMSA-N 1 1 416.949 3.803 50 0 HHAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023541539 558561350 /nfs/dbraw/zinc/56/13/50/558561350.db2.gz KROCVDCWVGJUDH-INIZCTEOSA-N 1 1 417.600 3.797 50 0 HHAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023541539 558561354 /nfs/dbraw/zinc/56/13/54/558561354.db2.gz KROCVDCWVGJUDH-INIZCTEOSA-N 1 1 417.600 3.797 50 0 HHAAMO Cc1nc(-c2ccccc2)nc2sc3c(ncn(CC[NH+]4CCCCC4)c3=O)c21 ZINC000013682250 558567267 /nfs/dbraw/zinc/56/72/67/558567267.db2.gz ZAZPBRXRFIKEPN-UHFFFAOYSA-N 1 1 405.527 3.863 50 0 HHAAMO Cc1nc(SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)n(C2CCCCC2)c1C ZINC000024115561 558589970 /nfs/dbraw/zinc/58/99/70/558589970.db2.gz CVOWZLFLCVAFAT-FQEVSTJZSA-N 1 1 422.639 3.570 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000025407830 558640316 /nfs/dbraw/zinc/64/03/16/558640316.db2.gz DFBWYHBVLHHDFB-HOTGVXAUSA-N 1 1 405.539 3.651 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000014951053 558680953 /nfs/dbraw/zinc/68/09/53/558680953.db2.gz AKVZWAUMWGIDDZ-HSZRJFAPSA-N 1 1 409.486 3.619 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+](C)C)cc1 ZINC000028289517 558696202 /nfs/dbraw/zinc/69/62/02/558696202.db2.gz ASAYONXSGPZKRC-SFHVURJKSA-N 1 1 414.889 3.796 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014996700 558696302 /nfs/dbraw/zinc/69/63/02/558696302.db2.gz SVFMORRGCMIXQU-FQEVSTJZSA-N 1 1 421.545 3.755 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403143 558700000 /nfs/dbraw/zinc/70/00/00/558700000.db2.gz NCWOIKSLCQTSER-NRFANRHFSA-N 1 1 401.595 3.527 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000028622105 558702584 /nfs/dbraw/zinc/70/25/84/558702584.db2.gz PJIAXZUNIMPEAZ-OFNKIYASSA-N 1 1 404.466 3.805 50 0 HHAAMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CNC(=O)COc2ccccc2OC)C1 ZINC000015067762 558710353 /nfs/dbraw/zinc/71/03/53/558710353.db2.gz VYSGSLXHQPPJMC-OJLWIZQOSA-N 1 1 424.541 3.624 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F ZINC000015067777 558710424 /nfs/dbraw/zinc/71/04/24/558710424.db2.gz KEKNIEFKMHPULN-GOSISDBHSA-N 1 1 408.477 3.871 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000015070083 558712160 /nfs/dbraw/zinc/71/21/60/558712160.db2.gz XCCDXSTZBRJOOQ-GOSISDBHSA-N 1 1 412.505 3.921 50 0 HHAAMO O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000015078219 558717622 /nfs/dbraw/zinc/71/76/22/558717622.db2.gz XYNBVQPVPIWJAF-UHFFFAOYSA-N 1 1 417.557 3.960 50 0 HHAAMO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000033326840 558766802 /nfs/dbraw/zinc/76/68/02/558766802.db2.gz NYMWIKFFAPYPCO-UHFFFAOYSA-N 1 1 408.550 3.692 50 0 HHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@H](C)O2 ZINC000039354730 558820275 /nfs/dbraw/zinc/82/02/75/558820275.db2.gz XPTRGIZHCYWHAA-RXFWQSSRSA-N 1 1 422.569 3.940 50 0 HHAAMO Cc1ccc(-n2cccn2)c(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000039445450 558821323 /nfs/dbraw/zinc/82/13/23/558821323.db2.gz GMRQTPIFZRPPEU-XMMPIXPASA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000039445450 558821325 /nfs/dbraw/zinc/82/13/25/558821325.db2.gz GMRQTPIFZRPPEU-XMMPIXPASA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000039445450 558821326 /nfs/dbraw/zinc/82/13/26/558821326.db2.gz GMRQTPIFZRPPEU-XMMPIXPASA-N 1 1 404.558 3.558 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3CC)C[C@H]2CCO)cc1 ZINC000039518815 558821949 /nfs/dbraw/zinc/82/19/49/558821949.db2.gz NXDINHMSNPDROX-OAQYLSRUSA-N 1 1 422.573 3.524 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3CC)C[C@H]2CCO)cc1 ZINC000039518815 558821952 /nfs/dbraw/zinc/82/19/52/558821952.db2.gz NXDINHMSNPDROX-OAQYLSRUSA-N 1 1 422.573 3.524 50 0 HHAAMO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+](C)C4CCCCC4)CC3)nc2c1 ZINC000033070840 558866122 /nfs/dbraw/zinc/86/61/22/558866122.db2.gz DQDAOKSZMZUEJY-UHFFFAOYSA-N 1 1 411.594 3.859 50 0 HHAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+](C)C4CCCCC4)CC3)[nH]c2c1 ZINC000033070840 558866124 /nfs/dbraw/zinc/86/61/24/558866124.db2.gz DQDAOKSZMZUEJY-UHFFFAOYSA-N 1 1 411.594 3.859 50 0 HHAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@H+](C)C4CCCCC4)CC3)[nH]c2c1 ZINC000033070840 558866126 /nfs/dbraw/zinc/86/61/26/558866126.db2.gz DQDAOKSZMZUEJY-UHFFFAOYSA-N 1 1 411.594 3.859 50 0 HHAAMO CSc1nc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cs1 ZINC000055358274 558879972 /nfs/dbraw/zinc/87/99/72/558879972.db2.gz XTESAQMQSUNKHI-KRWDZBQOSA-N 1 1 416.616 3.600 50 0 HHAAMO COc1ccc(NC(=O)NCC[NH+]2CCN(c3ccc(C)cc3)CC2)c(Cl)c1 ZINC000055554980 558882318 /nfs/dbraw/zinc/88/23/18/558882318.db2.gz BSDOUICROFSMKJ-UHFFFAOYSA-N 1 1 402.926 3.601 50 0 HHAAMO O=C(NCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccn2c1 ZINC000033138767 558888868 /nfs/dbraw/zinc/88/88/68/558888868.db2.gz DPWFWVYRRDWPEM-UHFFFAOYSA-N 1 1 416.447 3.510 50 0 HHAAMO CCc1ccccc1NC(=O)N1CC[NH+](CCn2c(C(C)C)nc3cccnc32)CC1 ZINC000033139853 558891570 /nfs/dbraw/zinc/89/15/70/558891570.db2.gz WUIGJZHJCTUCRT-UHFFFAOYSA-N 1 1 420.561 3.967 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038467 558896535 /nfs/dbraw/zinc/89/65/35/558896535.db2.gz DULLNMIAXAEWIK-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038467 558896537 /nfs/dbraw/zinc/89/65/37/558896537.db2.gz DULLNMIAXAEWIK-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccco1 ZINC000058251493 558915069 /nfs/dbraw/zinc/91/50/69/558915069.db2.gz CJVIRHSJCKADJQ-INIZCTEOSA-N 1 1 407.396 3.909 50 0 HHAAMO Oc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000058356064 558921289 /nfs/dbraw/zinc/92/12/89/558921289.db2.gz UQWCLKBVCQAZNN-LJQANCHMSA-N 1 1 404.304 3.684 50 0 HHAAMO CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000065364579 558975685 /nfs/dbraw/zinc/97/56/85/558975685.db2.gz HISQKCPCFHOMAF-UHFFFAOYSA-N 1 1 424.549 3.528 50 0 HHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCCNC(=O)c3ccccc3)n2)C1 ZINC000022294533 558987419 /nfs/dbraw/zinc/98/74/19/558987419.db2.gz QQCZIMIYFIBLDC-IAGOWNOFSA-N 1 1 414.575 3.770 50 0 HHAAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000023115543 559012885 /nfs/dbraw/zinc/01/28/85/559012885.db2.gz OKQLPZPGBDTAMX-GUWAZMKPSA-N 1 1 416.949 3.944 50 0 HHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082087635 559036972 /nfs/dbraw/zinc/03/69/72/559036972.db2.gz JFYISXLPKMCBRP-JOCHJYFZSA-N 1 1 410.606 3.551 50 0 HHAAMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082136770 559040235 /nfs/dbraw/zinc/04/02/35/559040235.db2.gz WQDZPJLPSBTMJQ-QFIPXVFZSA-N 1 1 412.622 3.987 50 0 HHAAMO Cc1cc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)on1 ZINC000095504167 559082925 /nfs/dbraw/zinc/08/29/25/559082925.db2.gz USZLLKRNJAXQCU-HXUWFJFHSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1cc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)on1 ZINC000095504167 559082926 /nfs/dbraw/zinc/08/29/26/559082926.db2.gz USZLLKRNJAXQCU-HXUWFJFHSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ccn[nH]2)CC1 ZINC000095529900 559086673 /nfs/dbraw/zinc/08/66/73/559086673.db2.gz APROORHXADXGIZ-UHFFFAOYSA-N 1 1 403.530 3.668 50 0 HHAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000004928786 559208530 /nfs/dbraw/zinc/20/85/30/559208530.db2.gz ZENAWFLASUIGAP-QHCPKHFHSA-N 1 1 414.571 3.808 50 0 HHAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12 ZINC000409414280 559249778 /nfs/dbraw/zinc/24/97/78/559249778.db2.gz OTSPUXOMYFUVKN-JTHBVZDNSA-N 1 1 411.590 3.850 50 0 HHAAMO Cc1c(C)c(C)c(S(=O)(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)c(C)c1C ZINC000011846868 559261852 /nfs/dbraw/zinc/26/18/52/559261852.db2.gz ZDJYCOQJWNETRL-OAQYLSRUSA-N 1 1 403.592 3.683 50 0 HHAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(F)c1 ZINC000248156271 559265727 /nfs/dbraw/zinc/26/57/27/559265727.db2.gz VTNILQFEDOEAIB-REWPJTCUSA-N 1 1 415.553 3.511 50 0 HHAAMO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000248264747 559269537 /nfs/dbraw/zinc/26/95/37/559269537.db2.gz XJEALIUWFHBSEA-XLIONFOSSA-N 1 1 407.986 3.865 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1CC ZINC000005478286 560595145 /nfs/dbraw/zinc/59/51/45/560595145.db2.gz QRVLGIRAXSUGRT-HNNXBMFYSA-N 1 1 401.507 3.946 50 0 HHAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)N1CCCCC1 ZINC000015953596 560650528 /nfs/dbraw/zinc/65/05/28/560650528.db2.gz QIDPWIKJFMARTD-NKKJXINNSA-N 1 1 400.563 3.766 50 0 biogenic HHAAMO CN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214050 560790047 /nfs/dbraw/zinc/79/00/47/560790047.db2.gz VIDBSZDPCHAWCY-UHFFFAOYSA-N 1 1 406.983 3.770 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983670 560858907 /nfs/dbraw/zinc/85/89/07/560858907.db2.gz LPXHQSOXPKUHHD-NHCUHLMSSA-N 1 1 420.912 3.872 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000047186834 560884255 /nfs/dbraw/zinc/88/42/55/560884255.db2.gz VXJFYRAGMPXLEE-GOSISDBHSA-N 1 1 418.541 3.547 50 0 HHAAMO C[N@@H+]1C[C@H](c2cccs2)[C@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000106338047 560890578 /nfs/dbraw/zinc/89/05/78/560890578.db2.gz KREXOOXCKFMSFM-GAZXMLTASA-N 1 1 416.502 3.886 50 0 HHAAMO C[N@H+]1C[C@H](c2cccs2)[C@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000106338047 560890579 /nfs/dbraw/zinc/89/05/79/560890579.db2.gz KREXOOXCKFMSFM-GAZXMLTASA-N 1 1 416.502 3.886 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022908185 568416255 /nfs/dbraw/zinc/41/62/55/568416255.db2.gz OEMKCGSSIZJBOB-HXUWFJFHSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022908185 568416256 /nfs/dbraw/zinc/41/62/56/568416256.db2.gz OEMKCGSSIZJBOB-HXUWFJFHSA-N 1 1 423.513 3.742 50 0 HHAAMO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000109037089 568420770 /nfs/dbraw/zinc/42/07/70/568420770.db2.gz DILAHKWSJKHIAP-CABCVRRESA-N 1 1 415.347 3.984 50 0 HHAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)cc1 ZINC000048289807 568435114 /nfs/dbraw/zinc/43/51/14/568435114.db2.gz KBCWFNQPICCDRU-INIZCTEOSA-N 1 1 414.531 3.564 50 0 HHAAMO CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2ccccc12 ZINC000048310344 568436630 /nfs/dbraw/zinc/43/66/30/568436630.db2.gz KIQBIHXBOZUQQI-IBGZPJMESA-N 1 1 414.527 3.947 50 0 HHAAMO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000048311359 568436931 /nfs/dbraw/zinc/43/69/31/568436931.db2.gz ITMATJVKPFZWAI-ZRCGQRJVSA-N 1 1 413.606 3.675 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccccc2)C1 ZINC000048341686 568440391 /nfs/dbraw/zinc/44/03/91/568440391.db2.gz PXIDCMSWIVCIHZ-BGYRXZFFSA-N 1 1 407.558 3.601 50 0 HHAAMO CCOC(=O)N1CCC(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000048345170 568440943 /nfs/dbraw/zinc/44/09/43/568440943.db2.gz CQBFORJBGLEFNU-KDURUIRLSA-N 1 1 415.578 3.649 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(Br)o2)C[C@@H](C)O1 ZINC000048358592 568441257 /nfs/dbraw/zinc/44/12/57/568441257.db2.gz HSFNJGPPYOIWNI-ZIAGYGMSSA-N 1 1 407.308 3.581 50 0 HHAAMO COc1cccc(C(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000021151480 568461985 /nfs/dbraw/zinc/46/19/85/568461985.db2.gz CJAUDQHXHPWLQZ-JOCHJYFZSA-N 1 1 419.525 3.572 50 0 HHAAMO COc1cccc(C(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c1OC ZINC000021151480 568461987 /nfs/dbraw/zinc/46/19/87/568461987.db2.gz CJAUDQHXHPWLQZ-JOCHJYFZSA-N 1 1 419.525 3.572 50 0 HHAAMO C[N@@H+](CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000024835572 568469986 /nfs/dbraw/zinc/46/99/86/568469986.db2.gz SHVQWBGJQBZICG-BUHFOSPRSA-N 1 1 419.569 3.577 50 0 HHAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604404914 568492479 /nfs/dbraw/zinc/49/24/79/568492479.db2.gz IZFCJKURIGBZHR-AZUAARDMSA-N 1 1 417.550 3.593 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCCCC1 ZINC000000811503 568493276 /nfs/dbraw/zinc/49/32/76/568493276.db2.gz HMFITJDGYYILRJ-UHFFFAOYSA-N 1 1 408.296 3.532 50 0 HHAAMO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)nc2c1 ZINC000033072153 568511401 /nfs/dbraw/zinc/51/14/01/568511401.db2.gz RQOHMKRWGOOVBS-LJQANCHMSA-N 1 1 411.594 3.859 50 0 HHAAMO Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)[nH]c2c1 ZINC000033072153 568511403 /nfs/dbraw/zinc/51/14/03/568511403.db2.gz RQOHMKRWGOOVBS-LJQANCHMSA-N 1 1 411.594 3.859 50 0 HHAAMO Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)[nH]c2c1 ZINC000033072153 568511404 /nfs/dbraw/zinc/51/14/04/568511404.db2.gz RQOHMKRWGOOVBS-LJQANCHMSA-N 1 1 411.594 3.859 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000095350893 568601038 /nfs/dbraw/zinc/60/10/38/568601038.db2.gz JQGFWGFWQFAANA-KRWDZBQOSA-N 1 1 424.588 3.517 50 0 HHAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000095427834 568608096 /nfs/dbraw/zinc/60/80/96/568608096.db2.gz UTIMYIVIWPWLCK-CQSZACIVSA-N 1 1 416.323 3.687 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489782 568614357 /nfs/dbraw/zinc/61/43/57/568614357.db2.gz BSBVVPSRELWKQF-HXUWFJFHSA-N 1 1 422.573 3.805 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508794 568620242 /nfs/dbraw/zinc/62/02/42/568620242.db2.gz VMJOHYABVZLQER-UHFFFAOYSA-N 1 1 421.541 3.851 50 0 HHAAMO Fc1ccc(N2CCN(c3ncc4c(n3)CC[N@H+](CCc3ccccc3)C4)CC2)cc1 ZINC000021640388 568727588 /nfs/dbraw/zinc/72/75/88/568727588.db2.gz MEFYIJFFILHWSE-UHFFFAOYSA-N 1 1 417.532 3.543 50 0 HHAAMO COc1cc(NC(=O)N2CCC(C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc(OC)c1OC ZINC000021653339 568730608 /nfs/dbraw/zinc/73/06/08/568730608.db2.gz YAEWCZOXSYUPNA-CALCHBBNSA-N 1 1 419.566 3.934 50 0 HHAAMO COc1ccc(OC)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3cccs3)C2)c1 ZINC000242047858 568732114 /nfs/dbraw/zinc/73/21/14/568732114.db2.gz VQRJTIFPBPKPAD-LJQANCHMSA-N 1 1 413.543 3.929 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1CC ZINC000021673202 568737013 /nfs/dbraw/zinc/73/70/13/568737013.db2.gz CSWRRAGLJKEZNX-QUCCMNQESA-N 1 1 415.534 3.521 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1CC ZINC000021673202 568737014 /nfs/dbraw/zinc/73/70/14/568737014.db2.gz CSWRRAGLJKEZNX-QUCCMNQESA-N 1 1 415.534 3.521 50 0 HHAAMO C[C@@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997932 568745410 /nfs/dbraw/zinc/74/54/10/568745410.db2.gz XECQAFPUIUQOFF-XXBNENTESA-N 1 1 420.582 3.821 50 0 HHAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4F)CC3)nc(C)[nH+]2)cc1 ZINC000021793933 568753202 /nfs/dbraw/zinc/75/32/02/568753202.db2.gz KOWKXYBLIJRSHF-UHFFFAOYSA-N 1 1 405.477 3.939 50 0 HHAAMO CCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000052678021 568775507 /nfs/dbraw/zinc/77/55/07/568775507.db2.gz WKBXSUTUQWSJND-GOSISDBHSA-N 1 1 411.521 3.727 50 0 HHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000230013139 568801724 /nfs/dbraw/zinc/80/17/24/568801724.db2.gz KHSPNQFTGFMJJP-WDJPJFJCSA-N 1 1 414.546 3.532 50 0 HHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000230013139 568801726 /nfs/dbraw/zinc/80/17/26/568801726.db2.gz KHSPNQFTGFMJJP-WDJPJFJCSA-N 1 1 414.546 3.532 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000230063591 568805610 /nfs/dbraw/zinc/80/56/10/568805610.db2.gz RUOAGGNHMSYGST-RHSMWYFYSA-N 1 1 407.440 3.879 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057270677 568825431 /nfs/dbraw/zinc/82/54/31/568825431.db2.gz PAKCDGZQQXTOBB-VBKZILBWSA-N 1 1 413.905 3.862 50 0 HHAAMO CCOC(=O)C1C(C[NH2+][C@@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270677 568825432 /nfs/dbraw/zinc/82/54/32/568825432.db2.gz PAKCDGZQQXTOBB-VBKZILBWSA-N 1 1 413.905 3.862 50 0 HHAAMO COc1cccc(C[N@@H+](CC(=O)Nc2cc(F)ccc2F)C2CCC(O)CC2)c1 ZINC000057265608 568825445 /nfs/dbraw/zinc/82/54/45/568825445.db2.gz IJAKBJXEMXCFOD-UHFFFAOYSA-N 1 1 404.457 3.718 50 0 HHAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057389720 568831193 /nfs/dbraw/zinc/83/11/93/568831193.db2.gz GVTCJQIUCKSRAQ-DENIHFKCSA-N 1 1 423.513 3.572 50 0 HHAAMO CCNC(=O)NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057389720 568831195 /nfs/dbraw/zinc/83/11/95/568831195.db2.gz GVTCJQIUCKSRAQ-DENIHFKCSA-N 1 1 423.513 3.572 50 0 HHAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2sccc2C(N)=O)c2cccc(F)c2)cc1 ZINC000057415071 568833664 /nfs/dbraw/zinc/83/36/64/568833664.db2.gz HWMPNQVEVKFXDM-HXUWFJFHSA-N 1 1 411.502 3.866 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057478337 568839744 /nfs/dbraw/zinc/83/97/44/568839744.db2.gz YEXYDUGEICLPOQ-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000057478337 568839745 /nfs/dbraw/zinc/83/97/45/568839745.db2.gz YEXYDUGEICLPOQ-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO CCO[C@H](O)[C@@H]1[NH2+][C@H](c2ccc(C(F)(F)F)cc2)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000230199218 568854486 /nfs/dbraw/zinc/85/44/86/568854486.db2.gz RJAMVXLGGRZFAI-NNIGNNQHSA-N 1 1 410.392 3.502 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1 ZINC000012555989 568855578 /nfs/dbraw/zinc/85/55/78/568855578.db2.gz RWZCWZOHSOJLFS-HXUWFJFHSA-N 1 1 407.514 3.834 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCC1 ZINC000012555989 568855581 /nfs/dbraw/zinc/85/55/81/568855581.db2.gz RWZCWZOHSOJLFS-HXUWFJFHSA-N 1 1 407.514 3.834 50 0 HHAAMO CCOc1ccc(NC(=S)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000058021441 568877874 /nfs/dbraw/zinc/87/78/74/568877874.db2.gz VIJBSIDWQYRXQL-UHFFFAOYSA-N 1 1 418.994 3.847 50 0 HHAAMO CCc1noc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012759208 568943891 /nfs/dbraw/zinc/94/38/91/568943891.db2.gz JSSBKFJDFZQYHX-JOCHJYFZSA-N 1 1 403.473 3.952 50 0 HHAAMO CCc1noc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012759208 568943892 /nfs/dbraw/zinc/94/38/92/568943892.db2.gz JSSBKFJDFZQYHX-JOCHJYFZSA-N 1 1 403.473 3.952 50 0 HHAAMO O=C(COc1cc(Cl)ccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012767873 568949559 /nfs/dbraw/zinc/94/95/59/568949559.db2.gz VDMGAUNLIMXFCI-UHFFFAOYSA-N 1 1 409.313 3.521 50 0 HHAAMO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)c1 ZINC000012774419 568953504 /nfs/dbraw/zinc/95/35/04/568953504.db2.gz NAPRMBWEZZCDNU-CALCHBBNSA-N 1 1 414.575 3.606 50 0 HHAAMO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)c1 ZINC000012774419 568953507 /nfs/dbraw/zinc/95/35/07/568953507.db2.gz NAPRMBWEZZCDNU-CALCHBBNSA-N 1 1 414.575 3.606 50 0 HHAAMO CSc1ccc(C[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000008066100 568971256 /nfs/dbraw/zinc/97/12/56/568971256.db2.gz FRMYKNSMNFNZFR-UHFFFAOYSA-N 1 1 404.333 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ZINC000409420171 972890243 /nfs/dbraw/zinc/89/02/43/972890243.db2.gz ZFADLKWWECXNSW-HNNXBMFYSA-N 1 1 405.926 3.767 50 0 HHAAMO CCCC[N@@H+](CCCNC(=O)CCN1C(=O)COc2ccccc21)Cc1ccccc1 ZINC000004687848 132283445 /nfs/dbraw/zinc/28/34/45/132283445.db2.gz WRCFILQWPGJVLO-UHFFFAOYSA-N 1 1 423.557 3.611 50 0 HHAAMO c1ccc(CN2CCC([NH+]3CCC(N4CCN(c5ccccc5)CC4)CC3)CC2)cc1 ZINC000004703389 132283810 /nfs/dbraw/zinc/28/38/10/132283810.db2.gz UJBZXBZAGHNLHF-UHFFFAOYSA-N 1 1 418.629 3.938 50 0 HHAAMO CCOc1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3OC)CC2)CC1 ZINC000004712102 132285255 /nfs/dbraw/zinc/28/52/55/132285255.db2.gz YWARWDVCGFNPOX-UHFFFAOYSA-N 1 1 409.574 3.881 50 0 HHAAMO O=S(=O)(c1cccc(F)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000007985001 132326584 /nfs/dbraw/zinc/32/65/84/132326584.db2.gz OIAASUZGUXGGAO-UHFFFAOYSA-N 1 1 405.882 3.538 50 0 HHAAMO CCN1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000011193450 132347753 /nfs/dbraw/zinc/34/77/53/132347753.db2.gz SCBLXGYUBWEXPT-MAUKXSAKSA-N 1 1 419.472 3.834 50 0 HHAAMO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000011193450 132347754 /nfs/dbraw/zinc/34/77/54/132347754.db2.gz SCBLXGYUBWEXPT-MAUKXSAKSA-N 1 1 419.472 3.834 50 0 HHAAMO O=C(NC[C@H]1CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1)c1cccs1 ZINC000012319021 132358500 /nfs/dbraw/zinc/35/85/00/132358500.db2.gz DUYSNMGJQSVZOP-QGZVFWFLSA-N 1 1 401.551 3.998 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1)c1cccs1 ZINC000012319020 132358527 /nfs/dbraw/zinc/35/85/27/132358527.db2.gz DUYSNMGJQSVZOP-KRWDZBQOSA-N 1 1 401.551 3.998 50 0 HHAAMO CC(=O)Nc1nc2ccc(CC(=O)NCCC[N@H+](C)C3CCCCC3)cc2s1 ZINC000032959591 519753229 /nfs/dbraw/zinc/75/32/29/519753229.db2.gz WGXHLULYIZKKJK-UHFFFAOYSA-N 1 1 402.564 3.568 50 0 HHAAMO CCOc1ccccc1/C=C/C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000032915643 521448311 /nfs/dbraw/zinc/44/83/11/521448311.db2.gz QUBBCURFVWRKFZ-BUHFOSPRSA-N 1 1 407.558 3.552 50 0 HHAAMO COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000032930072 523789745 /nfs/dbraw/zinc/78/97/45/523789745.db2.gz NSTLFBBVBFKLPG-GOSISDBHSA-N 1 1 408.542 3.989 50 0 HHAAMO Cc1cccc2[nH+]c(Cn3cnc4c(cnn4-c4cccc(C(F)(F)F)c4)c3=O)cn21 ZINC000032789498 524990564 /nfs/dbraw/zinc/99/05/64/524990564.db2.gz JQZMMRINSXDIED-UHFFFAOYSA-N 1 1 424.386 3.605 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NC[C@H](C)[NH+]3CCN(c4ccccc4)CC3)cs2)o1 ZINC000032728244 525806264 /nfs/dbraw/zinc/80/62/64/525806264.db2.gz ZXRYOOBLUNUEBX-KRWDZBQOSA-N 1 1 424.570 3.581 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000032860141 526217015 /nfs/dbraw/zinc/21/70/15/526217015.db2.gz FSKALOZIKCQGIE-CQSZACIVSA-N 1 1 416.319 3.645 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000032860141 526217016 /nfs/dbraw/zinc/21/70/16/526217016.db2.gz FSKALOZIKCQGIE-CQSZACIVSA-N 1 1 416.319 3.645 50 0 HHAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600936 527564188 /nfs/dbraw/zinc/56/41/88/527564188.db2.gz LOGUSFOQXAHZOA-JOCHJYFZSA-N 1 1 415.528 3.502 50 0 HHAAMO COc1ccc2c(c1)c1ncnc(N3CC[NH+](C/C=C/c4ccccc4)CC3)c1n2C ZINC000005516495 537015519 /nfs/dbraw/zinc/01/55/19/537015519.db2.gz MIAROHWVTNNDCL-RMKNXTFCSA-N 1 1 413.525 3.966 50 0 HHAAMO COC(=O)Cc1c[nH]c2cccc(OC[C@@H](O)C[N@@H+](Cc3ccccc3)C(C)C)c12 ZINC000000984514 557131585 /nfs/dbraw/zinc/13/15/85/557131585.db2.gz KNQIJRKKVHHLNF-FQEVSTJZSA-N 1 1 410.514 3.534 50 0 HHAAMO c1ccc(Cc2noc(C[NH+]3CCC4(C[C@H]4c4nnc5n4CCCCC5)CC3)n2)cc1 ZINC000071890613 557318158 /nfs/dbraw/zinc/31/81/58/557318158.db2.gz GLBDPEGAFGDNHU-IBGZPJMESA-N 1 1 418.545 3.748 50 0 HHAAMO COc1ccccc1C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034681492 557383006 /nfs/dbraw/zinc/38/30/06/557383006.db2.gz XXOSTRCGGHTGHU-UHFFFAOYSA-N 1 1 402.498 3.665 50 0 HHAAMO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684596 557387690 /nfs/dbraw/zinc/38/76/90/557387690.db2.gz MDNXPTLNDJJHFQ-QFIPXVFZSA-N 1 1 413.949 3.571 50 0 HHAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccccc1I ZINC000004489117 557559437 /nfs/dbraw/zinc/55/94/37/557559437.db2.gz AZLNEGKRNAPIKU-AWEZNQCLSA-N 1 1 409.267 3.969 50 0 HHAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696834 557783876 /nfs/dbraw/zinc/78/38/76/557783876.db2.gz QCGBQQKQOAESKF-DEOSSOPVSA-N 1 1 421.516 3.933 50 0 HHAAMO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022821611 557832740 /nfs/dbraw/zinc/83/27/40/557832740.db2.gz QTMPPLJXVUOREI-HXUWFJFHSA-N 1 1 403.526 3.863 50 0 HHAAMO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1coc(COc2ccccc2F)n1 ZINC000019720340 558259006 /nfs/dbraw/zinc/25/90/06/558259006.db2.gz WUAAVAJEXSWUON-GOSISDBHSA-N 1 1 409.461 3.521 50 0 HHAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1coc(COc2ccccc2F)n1 ZINC000019720340 558259009 /nfs/dbraw/zinc/25/90/09/558259009.db2.gz WUAAVAJEXSWUON-GOSISDBHSA-N 1 1 409.461 3.521 50 0 HHAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741163 558261780 /nfs/dbraw/zinc/26/17/80/558261780.db2.gz AQAAOESVHFCTBB-QHCPKHFHSA-N 1 1 419.548 3.798 50 0 HHAAMO Fc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741163 558261782 /nfs/dbraw/zinc/26/17/82/558261782.db2.gz AQAAOESVHFCTBB-QHCPKHFHSA-N 1 1 419.548 3.798 50 0 HHAAMO COCC[N@@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C(C)C ZINC000019744599 558265191 /nfs/dbraw/zinc/26/51/91/558265191.db2.gz BKJWVXDDIZLUNR-UHFFFAOYSA-N 1 1 422.573 3.814 50 0 HHAAMO COc1ccc(-n2cc(C[N@@H+](C)C[C@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661377 558265337 /nfs/dbraw/zinc/26/53/37/558265337.db2.gz TUIFMNBMCWMSSX-QFIPXVFZSA-N 1 1 411.477 3.534 50 0 HHAAMO Cc1nccn1CCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011663371 558267043 /nfs/dbraw/zinc/26/70/43/558267043.db2.gz IWAHKNGKXRPBQA-HXUWFJFHSA-N 1 1 402.970 3.648 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)cc1OC ZINC000019758699 558275316 /nfs/dbraw/zinc/27/53/16/558275316.db2.gz AVIZEKIGHXXRMA-FQEVSTJZSA-N 1 1 400.567 3.689 50 0 HHAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1OC ZINC000019758699 558275319 /nfs/dbraw/zinc/27/53/19/558275319.db2.gz AVIZEKIGHXXRMA-FQEVSTJZSA-N 1 1 400.567 3.689 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1OC ZINC000019758699 558275331 /nfs/dbraw/zinc/27/53/31/558275331.db2.gz AVIZEKIGHXXRMA-FQEVSTJZSA-N 1 1 400.567 3.689 50 0 HHAAMO CC[C@H]1C[N@@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000011786757 558276131 /nfs/dbraw/zinc/27/61/31/558276131.db2.gz FACYANXFTBYNML-IBGZPJMESA-N 1 1 417.937 3.683 50 0 HHAAMO CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCC[NH+]1CCOCC1 ZINC000019791971 558282961 /nfs/dbraw/zinc/28/29/61/558282961.db2.gz MJAJWKYCYPFUAA-UHFFFAOYSA-N 1 1 412.317 3.853 50 0 HHAAMO CCOc1cccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000019792341 558283025 /nfs/dbraw/zinc/28/30/25/558283025.db2.gz MKLJNNKCOQLIQG-UHFFFAOYSA-N 1 1 419.525 3.753 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 ZINC000011838262 558285427 /nfs/dbraw/zinc/28/54/27/558285427.db2.gz YDRJCSKEGDQOJG-LJQANCHMSA-N 1 1 408.521 3.589 50 0 HHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 ZINC000011839570 558286151 /nfs/dbraw/zinc/28/61/51/558286151.db2.gz BUWZMFOVPMTYDW-VWLOTQADSA-N 1 1 408.590 3.991 50 0 HHAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019835764 558292748 /nfs/dbraw/zinc/29/27/48/558292748.db2.gz LCQQIZPXRGPSEH-LJQANCHMSA-N 1 1 414.575 3.549 50 0 HHAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019835764 558292749 /nfs/dbraw/zinc/29/27/49/558292749.db2.gz LCQQIZPXRGPSEH-LJQANCHMSA-N 1 1 414.575 3.549 50 0 HHAAMO c1ccc(N2CCC([N@@H+]3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)CC2)cc1 ZINC000019835722 558292828 /nfs/dbraw/zinc/29/28/28/558292828.db2.gz MAPRHSRCOWJUEF-AREMUKBSSA-N 1 1 404.602 3.942 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccco1 ZINC000011905224 558295780 /nfs/dbraw/zinc/29/57/80/558295780.db2.gz RSYVCNPRKNZPJO-HNNXBMFYSA-N 1 1 404.264 3.730 50 0 HHAAMO CCOC(=O)Cc1c(C[NH+]2CCN(C)CC2)c2ccccc2n1Cc1ccccc1 ZINC000019857338 558296543 /nfs/dbraw/zinc/29/65/43/558296543.db2.gz KTLJJQUGOZBMBX-UHFFFAOYSA-N 1 1 405.542 3.543 50 0 HHAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C3CCSCC3)C2)c(OC)c1 ZINC000011946729 558302482 /nfs/dbraw/zinc/30/24/82/558302482.db2.gz VSHFXOLMUFCRCX-KRWDZBQOSA-N 1 1 406.592 3.708 50 0 HHAAMO O=C1CC[N@H+](Cc2ccc3c(c2)OCO3)CCN1Cc1ccccc1C(F)(F)F ZINC000012037405 558312078 /nfs/dbraw/zinc/31/20/78/558312078.db2.gz PLIXKYXDOZVHCU-UHFFFAOYSA-N 1 1 406.404 3.669 50 0 HHAAMO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@@H+](C)CC(C)C)C4)c1 ZINC000012041184 558312796 /nfs/dbraw/zinc/31/27/96/558312796.db2.gz BPGOJUNFWXJYFX-QGZVFWFLSA-N 1 1 411.571 3.960 50 0 HHAAMO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2ccccc2F)cc1 ZINC000012058649 558317061 /nfs/dbraw/zinc/31/70/61/558317061.db2.gz UISZCTSTBQCREM-HSZRJFAPSA-N 1 1 408.517 3.987 50 0 HHAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2ccccc2F)cc1 ZINC000012058649 558317065 /nfs/dbraw/zinc/31/70/65/558317065.db2.gz UISZCTSTBQCREM-HSZRJFAPSA-N 1 1 408.517 3.987 50 0 HHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C ZINC000012076036 558319944 /nfs/dbraw/zinc/31/99/44/558319944.db2.gz IXJIVEYAOTYGTM-OAQYLSRUSA-N 1 1 413.562 3.646 50 0 HHAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012090951 558324071 /nfs/dbraw/zinc/32/40/71/558324071.db2.gz SAENULSHNODELC-HXUWFJFHSA-N 1 1 423.948 3.589 50 0 HHAAMO OCC[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@H+]1CC1CCCCC1 ZINC000020454935 558368682 /nfs/dbraw/zinc/36/86/82/558368682.db2.gz LTMZNPJOHOZUQA-XMMPIXPASA-N 1 1 403.586 3.743 50 0 HHAAMO C[C@H]1CCCN(Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)C1 ZINC000012301129 558370942 /nfs/dbraw/zinc/37/09/42/558370942.db2.gz VWDDKSRBBGCSLF-FQEVSTJZSA-N 1 1 423.605 3.657 50 0 HHAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]Cc1cc(C(C)(C)C)n[nH]1 ZINC000012301262 558370970 /nfs/dbraw/zinc/37/09/70/558370970.db2.gz AOALHPSZXIHZCA-UHFFFAOYSA-N 1 1 422.577 3.969 50 0 HHAAMO COCCN(Cc1cc(CC(C)C)n[nH]1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012302048 558371892 /nfs/dbraw/zinc/37/18/92/558371892.db2.gz BQUKZNYDUAGIJH-OAQYLSRUSA-N 1 1 424.633 3.936 50 0 HHAAMO COCCN(Cc1cc(CC(C)C)[nH]n1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012302048 558371893 /nfs/dbraw/zinc/37/18/93/558371893.db2.gz BQUKZNYDUAGIJH-OAQYLSRUSA-N 1 1 424.633 3.936 50 0 HHAAMO COCCN(Cc1cc(CC(C)C)[nH]n1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012302048 558371895 /nfs/dbraw/zinc/37/18/95/558371895.db2.gz BQUKZNYDUAGIJH-OAQYLSRUSA-N 1 1 424.633 3.936 50 0 HHAAMO COc1ccc(/C=C/CN2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020515862 558382784 /nfs/dbraw/zinc/38/27/84/558382784.db2.gz OTXKROYQFNDYJJ-OIUIXCLQSA-N 1 1 410.558 3.594 50 0 HHAAMO COc1ccc(/C=C/C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020515862 558382789 /nfs/dbraw/zinc/38/27/89/558382789.db2.gz OTXKROYQFNDYJJ-OIUIXCLQSA-N 1 1 410.558 3.594 50 0 HHAAMO COc1ccc(/C=C/C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020515862 558382792 /nfs/dbraw/zinc/38/27/92/558382792.db2.gz OTXKROYQFNDYJJ-OIUIXCLQSA-N 1 1 410.558 3.594 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000020533482 558384651 /nfs/dbraw/zinc/38/46/51/558384651.db2.gz ZIVHAMCYCQHPMW-QZMYASAMSA-N 1 1 403.526 3.905 50 0 HHAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c(OC)c1 ZINC000012386706 558395599 /nfs/dbraw/zinc/39/55/99/558395599.db2.gz PWTDHFNSZJGFRR-IBGZPJMESA-N 1 1 422.569 3.980 50 0 HHAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)CCCCN3CCOCC3)ccc2c1 ZINC000012433366 558407335 /nfs/dbraw/zinc/40/73/35/558407335.db2.gz GIKZUYTWPBJYLA-UHFFFAOYSA-N 1 1 408.546 3.783 50 0 HHAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+](C)CCCCN3CCOCC3)ccc2c1 ZINC000012433366 558407336 /nfs/dbraw/zinc/40/73/36/558407336.db2.gz GIKZUYTWPBJYLA-UHFFFAOYSA-N 1 1 408.546 3.783 50 0 HHAAMO CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@@H]1CC[N@@H+](C)C1 ZINC000012434203 558408181 /nfs/dbraw/zinc/40/81/81/558408181.db2.gz PJYXNHSNWJTANF-CQSZACIVSA-N 1 1 408.449 3.858 50 0 HHAAMO CC[NH+]1CCN(C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)CC1 ZINC000020782996 558413175 /nfs/dbraw/zinc/41/31/75/558413175.db2.gz CHGKDFGMJBPNMR-NRFANRHFSA-N 1 1 420.601 3.784 50 0 HHAAMO O=C(CNC(=O)C1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004434 558428446 /nfs/dbraw/zinc/42/84/46/558428446.db2.gz OVXSFAMMQSJHDI-UHFFFAOYSA-N 1 1 419.569 3.617 50 0 HHAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012705331 558449513 /nfs/dbraw/zinc/44/95/13/558449513.db2.gz PIUUWOAFBCXQRE-QFIPXVFZSA-N 1 1 424.564 3.742 50 0 HHAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012705331 558449515 /nfs/dbraw/zinc/44/95/15/558449515.db2.gz PIUUWOAFBCXQRE-QFIPXVFZSA-N 1 1 424.564 3.742 50 0 HHAAMO C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012705331 558449516 /nfs/dbraw/zinc/44/95/16/558449516.db2.gz PIUUWOAFBCXQRE-QFIPXVFZSA-N 1 1 424.564 3.742 50 0 HHAAMO C[N@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012705331 558449518 /nfs/dbraw/zinc/44/95/18/558449518.db2.gz PIUUWOAFBCXQRE-QFIPXVFZSA-N 1 1 424.564 3.742 50 0 HHAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805336 558450389 /nfs/dbraw/zinc/45/03/89/558450389.db2.gz XZSYABUHAYOIII-SFHVURJKSA-N 1 1 423.469 3.663 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795510 558468489 /nfs/dbraw/zinc/46/84/89/558468489.db2.gz RCVBHTHJTHRWRG-CYBMUJFWSA-N 1 1 419.884 3.862 50 0 HHAAMO O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012802738 558472223 /nfs/dbraw/zinc/47/22/23/558472223.db2.gz VRXMMHHXBXJTRR-QPPBQGQZSA-N 1 1 423.557 3.957 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)C1 ZINC000022294866 558476744 /nfs/dbraw/zinc/47/67/44/558476744.db2.gz RQKDNBCGCZJVGY-GASCZTMLSA-N 1 1 414.531 3.558 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)C1 ZINC000022294866 558476747 /nfs/dbraw/zinc/47/67/47/558476747.db2.gz RQKDNBCGCZJVGY-GASCZTMLSA-N 1 1 414.531 3.558 50 0 HHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)C1 ZINC000022294869 558476775 /nfs/dbraw/zinc/47/67/75/558476775.db2.gz RQKDNBCGCZJVGY-GJZGRUSLSA-N 1 1 414.531 3.558 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)c(C)c1C ZINC000022913030 558519939 /nfs/dbraw/zinc/51/99/39/558519939.db2.gz MHJUUMKETMQWDX-NRFANRHFSA-N 1 1 404.501 3.659 50 0 HHAAMO O=C(CC[NH+]1CCN(Cc2ccc(Br)s2)CC1)Nc1ccccc1 ZINC000022934793 558526066 /nfs/dbraw/zinc/52/60/66/558526066.db2.gz CMQWLCYWXTVTKI-UHFFFAOYSA-N 1 1 408.365 3.657 50 0 HHAAMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4n[nH]cc43)CC2)cc1 ZINC000023135387 558537371 /nfs/dbraw/zinc/53/73/71/558537371.db2.gz VQYCHMBEIXYWKA-HXUWFJFHSA-N 1 1 404.905 3.918 50 0 HHAAMO CCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccc(C)cc1 ZINC000023178214 558540603 /nfs/dbraw/zinc/54/06/03/558540603.db2.gz RVCPBDKVDVJFPJ-UHFFFAOYSA-N 1 1 410.562 3.508 50 0 HHAAMO O=C(COc1ccc(Cl)cc1Cl)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023295932 558548091 /nfs/dbraw/zinc/54/80/91/558548091.db2.gz WPOUHMYKLOLHRG-UHFFFAOYSA-N 1 1 401.334 3.524 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000023339133 558550370 /nfs/dbraw/zinc/55/03/70/558550370.db2.gz FEYNIVGNYVZMGU-QGZVFWFLSA-N 1 1 415.559 3.855 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000023339133 558550372 /nfs/dbraw/zinc/55/03/72/558550372.db2.gz FEYNIVGNYVZMGU-QGZVFWFLSA-N 1 1 415.559 3.855 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000023358913 558551412 /nfs/dbraw/zinc/55/14/12/558551412.db2.gz BWTYEMKWFDGXCF-FQEVSTJZSA-N 1 1 404.501 3.659 50 0 HHAAMO Cc1cc2oc(=O)c(CC(=O)N3CC[NH+](C)CC3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000013630043 558552285 /nfs/dbraw/zinc/55/22/85/558552285.db2.gz XFWCZZIJCCWCCD-UHFFFAOYSA-N 1 1 410.514 3.770 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)cc1C ZINC000023374082 558553922 /nfs/dbraw/zinc/55/39/22/558553922.db2.gz VVVGLEUFUMRMIO-QHCPKHFHSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)cc1C ZINC000023374082 558553926 /nfs/dbraw/zinc/55/39/26/558553926.db2.gz VVVGLEUFUMRMIO-QHCPKHFHSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)cc1C ZINC000023374082 558553929 /nfs/dbraw/zinc/55/39/29/558553929.db2.gz VVVGLEUFUMRMIO-QHCPKHFHSA-N 1 1 405.542 3.621 50 0 HHAAMO OCC[C@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000023373902 558554218 /nfs/dbraw/zinc/55/42/18/558554218.db2.gz WZPORHGOAMRKDK-SANMLTNESA-N 1 1 407.602 3.657 50 0 HHAAMO OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373902 558554220 /nfs/dbraw/zinc/55/42/20/558554220.db2.gz WZPORHGOAMRKDK-SANMLTNESA-N 1 1 407.602 3.657 50 0 HHAAMO OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@H+]1CCCc1ccccc1 ZINC000023373902 558554221 /nfs/dbraw/zinc/55/42/21/558554221.db2.gz WZPORHGOAMRKDK-SANMLTNESA-N 1 1 407.602 3.657 50 0 HHAAMO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958595 558582821 /nfs/dbraw/zinc/58/28/21/558582821.db2.gz RAYRNTYDUDDNHU-UHFFFAOYSA-N 1 1 413.568 3.563 50 0 HHAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)[NH+]2CCCC2)cc1 ZINC000023994182 558583994 /nfs/dbraw/zinc/58/39/94/558583994.db2.gz RGOWRMDKSXDKAO-HSZRJFAPSA-N 1 1 410.539 3.964 50 0 HHAAMO COc1ccc([C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[NH+]2CCCC2)cc1 ZINC000023994205 558584079 /nfs/dbraw/zinc/58/40/79/558584079.db2.gz ZTDJXUQZJQSSHE-NRFANRHFSA-N 1 1 402.560 3.736 50 0 HHAAMO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024316869 558594928 /nfs/dbraw/zinc/59/49/28/558594928.db2.gz LFFHLOXFWJPQAE-IBGZPJMESA-N 1 1 416.525 3.694 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccc(O)cc4)CC3)C2=O)cc1Cl ZINC000014201881 558637184 /nfs/dbraw/zinc/63/71/84/558637184.db2.gz SQXSVFCEXZPVLM-IBGZPJMESA-N 1 1 414.889 3.566 50 0 HHAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+](C)Cc1cc3ccccc3s1)C2 ZINC000014755450 558671772 /nfs/dbraw/zinc/67/17/72/558671772.db2.gz RPFVAFQMGFCXCM-KRWDZBQOSA-N 1 1 408.571 3.860 50 0 HHAAMO Cc1cc(O[C@H](C)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(C)c1Cl ZINC000027992501 558688569 /nfs/dbraw/zinc/68/85/69/558688569.db2.gz XTWOYKJFSAXCJP-GOSISDBHSA-N 1 1 408.970 3.875 50 0 HHAAMO CCC(CC)C(=O)N1CCC(Oc2ccc(C[N@@H+](C)Cc3cnn(C)c3)cc2)CC1 ZINC000014995816 558696135 /nfs/dbraw/zinc/69/61/35/558696135.db2.gz RTDVZYXRTXKWBY-UHFFFAOYSA-N 1 1 412.578 3.858 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028289531 558696155 /nfs/dbraw/zinc/69/61/55/558696155.db2.gz LCZHKCMMTWVVRX-OAQYLSRUSA-N 1 1 420.509 3.985 50 0 HHAAMO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000072277370 558703277 /nfs/dbraw/zinc/70/32/77/558703277.db2.gz LPDKOVIRMUYWOW-REWPJTCUSA-N 1 1 409.574 3.660 50 0 HHAAMO C[C@@H](CN1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 ZINC000015066199 558709098 /nfs/dbraw/zinc/70/90/98/558709098.db2.gz LZJNBBJFEWDGHK-NRFANRHFSA-N 1 1 420.601 3.678 50 0 HHAAMO C[C@@H](C[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 ZINC000015066199 558709102 /nfs/dbraw/zinc/70/91/02/558709102.db2.gz LZJNBBJFEWDGHK-NRFANRHFSA-N 1 1 420.601 3.678 50 0 HHAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000015078346 558717638 /nfs/dbraw/zinc/71/76/38/558717638.db2.gz WRZGLTKZVPPUAJ-XXIDSNJLSA-N 1 1 412.505 3.755 50 0 HHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000015962642 558764169 /nfs/dbraw/zinc/76/41/69/558764169.db2.gz LVCIHPWPCYUVLT-UHFFFAOYSA-N 1 1 406.939 3.643 50 0 HHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)C1 ZINC000032984081 558805096 /nfs/dbraw/zinc/80/50/96/558805096.db2.gz QGYCCOUWAUMZJE-MMTNMYCKSA-N 1 1 419.525 3.910 50 0 HHAAMO COc1ccc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000039510190 558822037 /nfs/dbraw/zinc/82/20/37/558822037.db2.gz SVGRRZDGKVYINZ-HXUWFJFHSA-N 1 1 417.594 3.871 50 0 HHAAMO COc1ccc(C(=O)N(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000039510190 558822038 /nfs/dbraw/zinc/82/20/38/558822038.db2.gz SVGRRZDGKVYINZ-HXUWFJFHSA-N 1 1 417.594 3.871 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccccc4F)CC3)C2=O)cc1 ZINC000018218013 558833768 /nfs/dbraw/zinc/83/37/68/558833768.db2.gz YCBOMQDTFIOFOD-QFIPXVFZSA-N 1 1 410.489 3.811 50 0 HHAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)[nH+]1 ZINC000033014152 558834274 /nfs/dbraw/zinc/83/42/74/558834274.db2.gz WNWBSBHWBAELSA-UHFFFAOYSA-N 1 1 415.453 3.953 50 0 HHAAMO Cc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N(C)C)[nH+]1 ZINC000033014152 558834276 /nfs/dbraw/zinc/83/42/76/558834276.db2.gz WNWBSBHWBAELSA-UHFFFAOYSA-N 1 1 415.453 3.953 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018271303 558835206 /nfs/dbraw/zinc/83/52/06/558835206.db2.gz JNINZMABMZHBPH-SFHVURJKSA-N 1 1 409.873 3.993 50 0 HHAAMO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)c1C ZINC000033024418 558841780 /nfs/dbraw/zinc/84/17/80/558841780.db2.gz YDPPWTPUFTZAPV-KRWDZBQOSA-N 1 1 416.610 3.563 50 0 HHAAMO O=C(c1ccccn1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055107960 558872870 /nfs/dbraw/zinc/87/28/70/558872870.db2.gz NGFOFUIIUVICLB-IBGZPJMESA-N 1 1 418.463 3.527 50 0 HHAAMO COc1cccc(C[NH+]2CCN(Cc3cc(Br)ccc3OC)CC2)c1 ZINC000019361754 558876580 /nfs/dbraw/zinc/87/65/80/558876580.db2.gz QXMYRMIQABXXEA-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000057994489 558893351 /nfs/dbraw/zinc/89/33/51/558893351.db2.gz FGNQETTXZBFINL-QHCPKHFHSA-N 1 1 405.542 3.594 50 0 HHAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000057994484 558893437 /nfs/dbraw/zinc/89/34/37/558893437.db2.gz FGNQETTXZBFINL-HSZRJFAPSA-N 1 1 405.542 3.594 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038479 558896517 /nfs/dbraw/zinc/89/65/17/558896517.db2.gz DULLNMIAXAEWIK-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038479 558896520 /nfs/dbraw/zinc/89/65/20/558896520.db2.gz DULLNMIAXAEWIK-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000058109187 558899329 /nfs/dbraw/zinc/89/93/29/558899329.db2.gz TULPFUOXNIAKGC-IAGOWNOFSA-N 1 1 420.517 3.511 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000058183514 558910430 /nfs/dbraw/zinc/91/04/30/558910430.db2.gz BGOJPQNVEUMVGW-MRXNPFEDSA-N 1 1 401.536 3.640 50 0 HHAAMO CN1CCC([N@H+](C)C[C@H](NC(=O)Cc2cccc3cccnc32)c2ccccc2)CC1 ZINC000058210602 558912172 /nfs/dbraw/zinc/91/21/72/558912172.db2.gz JZLLGBLEYDWDHE-DEOSSOPVSA-N 1 1 416.569 3.661 50 0 HHAAMO CN1CCC([N@@H+](C)C[C@H](NC(=O)Cc2cccc3cccnc32)c2ccccc2)CC1 ZINC000058210602 558912175 /nfs/dbraw/zinc/91/21/75/558912175.db2.gz JZLLGBLEYDWDHE-DEOSSOPVSA-N 1 1 416.569 3.661 50 0 HHAAMO COc1cc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000019549548 558914416 /nfs/dbraw/zinc/91/44/16/558914416.db2.gz UQAVJMZDEQXKLV-UHFFFAOYSA-N 1 1 420.509 3.824 50 0 HHAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)[nH+]1 ZINC000065362337 558973022 /nfs/dbraw/zinc/97/30/22/558973022.db2.gz OOFRRTDFXVOGHB-UHFFFAOYSA-N 1 1 402.458 3.917 50 0 HHAAMO Cc1nc(Nc2ccc(NC(=O)Cc3noc4ccccc34)cc2)cc(N(C)C)[nH+]1 ZINC000065362337 558973024 /nfs/dbraw/zinc/97/30/24/558973024.db2.gz OOFRRTDFXVOGHB-UHFFFAOYSA-N 1 1 402.458 3.917 50 0 HHAAMO Cc1[nH+]ccn1Cc1cccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000097046438 558988458 /nfs/dbraw/zinc/98/84/58/558988458.db2.gz VWFHALQKCPFCAM-UHFFFAOYSA-N 1 1 409.433 3.737 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000067622549 558989873 /nfs/dbraw/zinc/98/98/73/558989873.db2.gz VZJSONOBLIJRNF-UHFFFAOYSA-N 1 1 415.541 3.891 50 0 HHAAMO CC(C)C(NC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C(C)C ZINC000082087668 559036940 /nfs/dbraw/zinc/03/69/40/559036940.db2.gz GSZSPWNXSPQXTP-OAQYLSRUSA-N 1 1 400.611 3.555 50 0 HHAAMO CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCCC1 ZINC000082115024 559038960 /nfs/dbraw/zinc/03/89/60/559038960.db2.gz VBBJMQLVDACWLL-JOCHJYFZSA-N 1 1 412.622 3.939 50 0 HHAAMO CC(C)(NC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)c1ccccc1 ZINC000082137204 559040303 /nfs/dbraw/zinc/04/03/03/559040303.db2.gz MNXOOURNQVKVFP-JOCHJYFZSA-N 1 1 420.601 3.810 50 0 HHAAMO CN(Cc1nccs1)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095527027 559086077 /nfs/dbraw/zinc/08/60/77/559086077.db2.gz KKKQHXVFBSQARH-HXUWFJFHSA-N 1 1 403.592 3.779 50 0 HHAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468994 559118961 /nfs/dbraw/zinc/11/89/61/559118961.db2.gz AFJONKXKVPKHIE-QHCPKHFHSA-N 1 1 415.585 3.967 50 0 HHAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468994 559118962 /nfs/dbraw/zinc/11/89/62/559118962.db2.gz AFJONKXKVPKHIE-QHCPKHFHSA-N 1 1 415.585 3.967 50 0 HHAAMO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000014101071 559150835 /nfs/dbraw/zinc/15/08/35/559150835.db2.gz NSFSYQOURJYJPN-UHFFFAOYSA-N 1 1 414.358 3.936 50 0 HHAAMO CCn1c(=O)cc(SCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000004936619 559211921 /nfs/dbraw/zinc/21/19/21/559211921.db2.gz HZFQVPPMBGGJNK-UHFFFAOYSA-N 1 1 423.582 3.752 50 0 HHAAMO Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)c1 ZINC000004939865 559212347 /nfs/dbraw/zinc/21/23/47/559212347.db2.gz ZBVZXYCKPLKSGL-UHFFFAOYSA-N 1 1 401.514 3.765 50 0 HHAAMO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000005057798 559238143 /nfs/dbraw/zinc/23/81/43/559238143.db2.gz SREWELXVCFVELC-MUHIBDNSSA-N 1 1 411.590 3.626 50 0 HHAAMO CCOC(=O)CCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)CC(C)C ZINC000005095566 559244949 /nfs/dbraw/zinc/24/49/49/559244949.db2.gz NKXVHSCBZRAWKS-OAQYLSRUSA-N 1 1 410.555 3.701 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1 ZINC000100696402 559257050 /nfs/dbraw/zinc/25/70/50/559257050.db2.gz KWPVOQNWZGESIV-MRXNPFEDSA-N 1 1 423.517 3.611 50 0 HHAAMO Cc1c(C)c(C)c(S(=O)(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)c(C)c1C ZINC000011846869 559261822 /nfs/dbraw/zinc/26/18/22/559261822.db2.gz ZDJYCOQJWNETRL-NRFANRHFSA-N 1 1 403.592 3.683 50 0 HHAAMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488784 559277506 /nfs/dbraw/zinc/27/75/06/559277506.db2.gz IYXKAUUZZZYFJN-FQEVSTJZSA-N 1 1 404.599 3.871 50 0 HHAAMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488784 559277508 /nfs/dbraw/zinc/27/75/08/559277508.db2.gz IYXKAUUZZZYFJN-FQEVSTJZSA-N 1 1 404.599 3.871 50 0 HHAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488784 559277510 /nfs/dbraw/zinc/27/75/10/559277510.db2.gz IYXKAUUZZZYFJN-FQEVSTJZSA-N 1 1 404.599 3.871 50 0 HHAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000006554649 560206176 /nfs/dbraw/zinc/20/61/76/560206176.db2.gz ZDNXZGYMXMNADE-ZTCOLXNVSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000006554649 560206177 /nfs/dbraw/zinc/20/61/77/560206177.db2.gz ZDNXZGYMXMNADE-ZTCOLXNVSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCC1CCC([N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078806156 560540737 /nfs/dbraw/zinc/54/07/37/560540737.db2.gz CWVNGBSHLZZPPF-IRDVNMAFSA-N 1 1 405.558 3.750 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 ZINC000103245987 560840482 /nfs/dbraw/zinc/84/04/82/560840482.db2.gz RNVFZJHRROIHHK-RPWUZVMVSA-N 1 1 408.542 3.929 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1 ZINC000103245987 560840483 /nfs/dbraw/zinc/84/04/83/560840483.db2.gz RNVFZJHRROIHHK-RPWUZVMVSA-N 1 1 408.542 3.929 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000106576344 560892673 /nfs/dbraw/zinc/89/26/73/560892673.db2.gz LRKYTJGKSXCYDT-WOJBJXKFSA-N 1 1 413.512 3.820 50 0 HHAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032272 568424644 /nfs/dbraw/zinc/42/46/44/568424644.db2.gz NOLIWHVUVPKIGL-UHFFFAOYSA-N 1 1 406.939 3.576 50 0 HHAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032272 568424646 /nfs/dbraw/zinc/42/46/46/568424646.db2.gz NOLIWHVUVPKIGL-UHFFFAOYSA-N 1 1 406.939 3.576 50 0 HHAAMO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000390827945 568491519 /nfs/dbraw/zinc/49/15/19/568491519.db2.gz MIOSFPFSZMLAKQ-DVKRWUGUSA-N 1 1 409.574 3.842 50 0 HHAAMO C[C@@H](C(=O)N1CCc2cc(Br)sc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000095446810 568612298 /nfs/dbraw/zinc/61/22/98/568612298.db2.gz MMWDPZXIHKGIRY-ZDUSSCGKSA-N 1 1 405.361 3.842 50 0 HHAAMO C[C@@H](C(=O)N1CCc2cc(Br)sc2C1)[N@H+]1CCc2ccccc2C1 ZINC000095446810 568612299 /nfs/dbraw/zinc/61/22/99/568612299.db2.gz MMWDPZXIHKGIRY-ZDUSSCGKSA-N 1 1 405.361 3.842 50 0 HHAAMO C[C@@]1(COC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCC[N@H+]1Cc1ccccc1 ZINC000095469299 568625453 /nfs/dbraw/zinc/62/54/53/568625453.db2.gz IMNOGQOFJGFLCI-QHCPKHFHSA-N 1 1 415.555 3.833 50 0 HHAAMO C[NH+](C)Cc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000225633412 568658759 /nfs/dbraw/zinc/65/87/59/568658759.db2.gz OLDAZBKZEVJRNI-UHFFFAOYSA-N 1 1 409.914 3.851 50 0 HHAAMO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000225757712 568671910 /nfs/dbraw/zinc/67/19/10/568671910.db2.gz JICYZSPQSZVRFM-OAHLLOKOSA-N 1 1 405.951 3.648 50 0 HHAAMO CC1(C)CC(=O)c2c(O)cc(OCCC[NH+]3CCN(c4ccccc4)CC3)cc2O1 ZINC000096028223 568687089 /nfs/dbraw/zinc/68/70/89/568687089.db2.gz UPOCIENFXIDSDS-UHFFFAOYSA-N 1 1 410.514 3.727 50 0 HHAAMO COc1ccc(CNc2nc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cs2)cc1 ZINC000096221297 568705231 /nfs/dbraw/zinc/70/52/31/568705231.db2.gz RZYYNLKETUQJFJ-FXAWDEMLSA-N 1 1 414.575 3.758 50 0 biogenic HHAAMO c1cnc(N2CC[NH+](CCOC3c4ccccc4CCc4ccccc43)CC2)nc1 ZINC000096257979 568712935 /nfs/dbraw/zinc/71/29/35/568712935.db2.gz DTSSAKNQIPVIIQ-UHFFFAOYSA-N 1 1 400.526 3.503 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)[NH+](C)C ZINC000021557063 568713971 /nfs/dbraw/zinc/71/39/71/568713971.db2.gz JGSNAEURLVTECW-HXUWFJFHSA-N 1 1 410.493 3.670 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1C ZINC000021640352 568727513 /nfs/dbraw/zinc/72/75/13/568727513.db2.gz JWQLLLLIYRPBQZ-UHFFFAOYSA-N 1 1 413.569 3.978 50 0 HHAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1C ZINC000021640352 568727515 /nfs/dbraw/zinc/72/75/15/568727515.db2.gz JWQLLLLIYRPBQZ-UHFFFAOYSA-N 1 1 413.569 3.978 50 0 HHAAMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCCO2 ZINC000022199048 568765272 /nfs/dbraw/zinc/76/52/72/568765272.db2.gz PEAROIOOXMSHHB-UHFFFAOYSA-N 1 1 423.282 3.820 50 0 HHAAMO COc1ccccc1NC(=O)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022200022 568765330 /nfs/dbraw/zinc/76/53/30/568765330.db2.gz DFTBZVUFIDCOJV-UHFFFAOYSA-N 1 1 421.463 3.860 50 0 HHAAMO CC(C)c1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000025407690 568768616 /nfs/dbraw/zinc/76/86/16/568768616.db2.gz FKYZFXQXVQLZKV-IAGOWNOFSA-N 1 1 415.582 3.753 50 0 HHAAMO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225688285 568778805 /nfs/dbraw/zinc/77/88/05/568778805.db2.gz BMERYBLTWVWEOC-KRWDZBQOSA-N 1 1 411.354 3.815 50 0 HHAAMO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225688285 568778806 /nfs/dbraw/zinc/77/88/06/568778806.db2.gz BMERYBLTWVWEOC-KRWDZBQOSA-N 1 1 411.354 3.815 50 0 HHAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000057338578 568827333 /nfs/dbraw/zinc/82/73/33/568827333.db2.gz LVDKWBCUUOADLY-SFHVURJKSA-N 1 1 417.509 3.915 50 0 HHAAMO Cc1nn(C)c2nc(C)c(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc12 ZINC000029749786 568828785 /nfs/dbraw/zinc/82/87/85/568828785.db2.gz FHZDIFUBYVKLED-HXUWFJFHSA-N 1 1 411.937 3.805 50 0 HHAAMO Cc1oc2cc(OC(=O)[C@H]3CCC[NH2+]3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000063503493 568835846 /nfs/dbraw/zinc/83/58/46/568835846.db2.gz IIWUQMDYQWUJCW-GOSISDBHSA-N 1 1 421.449 3.587 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Cl)c(Cl)c2)N1)OCCCO4 ZINC000012507216 568839398 /nfs/dbraw/zinc/83/93/98/568839398.db2.gz CNPLHJGVPUBSAU-INIZCTEOSA-N 1 1 404.257 3.601 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478336 568839849 /nfs/dbraw/zinc/83/98/49/568839849.db2.gz YEXYDUGEICLPOQ-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000057478336 568839852 /nfs/dbraw/zinc/83/98/52/568839852.db2.gz YEXYDUGEICLPOQ-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000230142477 568852397 /nfs/dbraw/zinc/85/23/97/568852397.db2.gz LSKQHNKOLJTEPH-YWZLYKJASA-N 1 1 402.336 3.627 50 0 HHAAMO O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000230247872 568856558 /nfs/dbraw/zinc/85/65/58/568856558.db2.gz QZBGWHXOWHIDJF-FCHUYYIVSA-N 1 1 423.582 3.802 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2c(Cl)cccc2Cl)N1)OCCCO4 ZINC000012601991 568870270 /nfs/dbraw/zinc/87/02/70/568870270.db2.gz QBRZNDYNHAQJHG-MRXNPFEDSA-N 1 1 404.257 3.601 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)CNc1ccccc1C[NH+]1CCOCC1 ZINC000057996708 568873423 /nfs/dbraw/zinc/87/34/23/568873423.db2.gz HBOVMJAAKLQDHR-UHFFFAOYSA-N 1 1 418.335 3.640 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1 ZINC000030615821 568876223 /nfs/dbraw/zinc/87/62/23/568876223.db2.gz AFTFBBKJSIYMJG-UHFFFAOYSA-N 1 1 417.513 3.577 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783415 568958930 /nfs/dbraw/zinc/95/89/30/568958930.db2.gz NGUQYLOOISEJCU-LBPRGKRZSA-N 1 1 405.848 3.630 50 0 HHAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccco1 ZINC000015674415 568962837 /nfs/dbraw/zinc/96/28/37/568962837.db2.gz JGVZIHYDWOWZQP-MRXNPFEDSA-N 1 1 408.502 3.603 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccco1 ZINC000008135856 568977012 /nfs/dbraw/zinc/97/70/12/568977012.db2.gz ZHZWNLQVBMAGOQ-HXUWFJFHSA-N 1 1 404.470 3.539 50 0 HHAAMO CCCCn1c(C[N@@H+]2CCC[C@@H]2c2cccs2)nc2cc(S(N)(=O)=O)ccc21 ZINC000008230959 568983918 /nfs/dbraw/zinc/98/39/18/568983918.db2.gz PWUYJHBCHJQLTO-GOSISDBHSA-N 1 1 418.588 3.882 50 0 HHAAMO CCCCn1c(C[N@H+]2CCC[C@@H]2c2cccs2)nc2cc(S(N)(=O)=O)ccc21 ZINC000008230959 568983919 /nfs/dbraw/zinc/98/39/19/568983919.db2.gz PWUYJHBCHJQLTO-GOSISDBHSA-N 1 1 418.588 3.882 50 0 HHAAMO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC000012815070 568989327 /nfs/dbraw/zinc/98/93/27/568989327.db2.gz BJPJAPDSCLOVQH-UHFFFAOYSA-N 1 1 411.571 3.851 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1C ZINC000008324094 568990689 /nfs/dbraw/zinc/99/06/89/568990689.db2.gz MRYBUACIYCVBKM-DZGCQCFKSA-N 1 1 400.475 3.501 50 0 HHAAMO O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012823726 569007523 /nfs/dbraw/zinc/00/75/23/569007523.db2.gz JUWDXVPFXBONNP-QGZVFWFLSA-N 1 1 411.452 3.943 50 0 HHAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)N[C@@H]1COc2ccccc2C1 ZINC000015787326 569007867 /nfs/dbraw/zinc/00/78/67/569007867.db2.gz STGQYHAYOMRZSY-QFIPXVFZSA-N 1 1 419.525 3.627 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)c(C)c1C ZINC000104424753 569008705 /nfs/dbraw/zinc/00/87/05/569008705.db2.gz ADDCXGLYTGBESL-OAQYLSRUSA-N 1 1 404.501 3.659 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982649 569009854 /nfs/dbraw/zinc/00/98/54/569009854.db2.gz KWSJNFCNEDZEJS-VQTJNVASSA-N 1 1 400.494 3.607 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012865510 569012154 /nfs/dbraw/zinc/01/21/54/569012154.db2.gz LSSHUFRCSOWLIF-CQSZACIVSA-N 1 1 404.894 3.887 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012865510 569012155 /nfs/dbraw/zinc/01/21/55/569012155.db2.gz LSSHUFRCSOWLIF-CQSZACIVSA-N 1 1 404.894 3.887 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012902608 569020670 /nfs/dbraw/zinc/02/06/70/569020670.db2.gz HZUHYZFRDVBYAO-OAHLLOKOSA-N 1 1 401.894 3.638 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012902608 569020671 /nfs/dbraw/zinc/02/06/71/569020671.db2.gz HZUHYZFRDVBYAO-OAHLLOKOSA-N 1 1 401.894 3.638 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012911831 569021753 /nfs/dbraw/zinc/02/17/53/569021753.db2.gz QGYINMRIQPPGRA-AWEZNQCLSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012911831 569021754 /nfs/dbraw/zinc/02/17/54/569021754.db2.gz QGYINMRIQPPGRA-AWEZNQCLSA-N 1 1 403.408 3.918 50 0 HHAAMO Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000012999252 569048933 /nfs/dbraw/zinc/04/89/33/569048933.db2.gz PETKCRXBSJAXRG-UHFFFAOYSA-N 1 1 418.950 3.501 50 0 HHAAMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013003069 569049307 /nfs/dbraw/zinc/04/93/07/569049307.db2.gz XJKXRBNCCGBHKU-IBGZPJMESA-N 1 1 417.431 3.957 50 0 HHAAMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013003069 569049308 /nfs/dbraw/zinc/04/93/08/569049308.db2.gz XJKXRBNCCGBHKU-IBGZPJMESA-N 1 1 417.431 3.957 50 0 HHAAMO COc1cccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)[NH+](C)C)c1 ZINC000013005524 569049601 /nfs/dbraw/zinc/04/96/01/569049601.db2.gz UBVOLXAQIAVUEL-QHCPKHFHSA-N 1 1 400.478 3.939 50 0 HHAAMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570500 569052121 /nfs/dbraw/zinc/05/21/21/569052121.db2.gz BAMQVPYWMNHYKI-KEAGSLSDSA-N 1 1 409.574 3.811 50 0 HHAAMO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199272 569059060 /nfs/dbraw/zinc/05/90/60/569059060.db2.gz XXEFNKUKVVUJPS-YDLSIGKMSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199272 569059061 /nfs/dbraw/zinc/05/90/61/569059061.db2.gz XXEFNKUKVVUJPS-YDLSIGKMSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199272 569059062 /nfs/dbraw/zinc/05/90/62/569059062.db2.gz XXEFNKUKVVUJPS-YDLSIGKMSA-N 1 1 403.530 3.507 50 0 HHAAMO COCCn1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2cc(Cl)ccc21 ZINC000169680686 569127357 /nfs/dbraw/zinc/12/73/57/569127357.db2.gz BXWNTNUOICLLTI-UZLBHIALSA-N 1 1 403.954 3.935 50 0 biogenic HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989353 569145881 /nfs/dbraw/zinc/14/58/81/569145881.db2.gz WJMVTEVFSCYYII-IBGZPJMESA-N 1 1 407.562 3.738 50 0 HHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCNC(=O)c2ccsc2)C1 ZINC000036395379 569168784 /nfs/dbraw/zinc/16/87/84/569168784.db2.gz ADAHXZOVQFKCGT-SFHVURJKSA-N 1 1 413.587 3.806 50 0 HHAAMO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)NCc1ccc(F)cc1 ZINC000065184226 569191368 /nfs/dbraw/zinc/19/13/68/569191368.db2.gz JKGQVROLNANYOH-UHFFFAOYSA-N 1 1 412.440 3.511 50 0 HHAAMO O=C(Cc1ccc(Cl)cc1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200120 569193645 /nfs/dbraw/zinc/19/36/45/569193645.db2.gz USHVZJXDDKYQAX-UHFFFAOYSA-N 1 1 418.994 3.674 50 0 HHAAMO CCc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCOCC3)no2)cc1 ZINC000065255096 569207641 /nfs/dbraw/zinc/20/76/41/569207641.db2.gz FTCGVMHRTADYOA-UHFFFAOYSA-N 1 1 403.486 3.648 50 0 HHAAMO CC(C)N(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 ZINC000524730789 569212020 /nfs/dbraw/zinc/21/20/20/569212020.db2.gz XGRKYXWZXZFHOU-FCHUYYIVSA-N 1 1 401.595 3.885 50 0 HHAAMO O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000170610649 569245309 /nfs/dbraw/zinc/24/53/09/569245309.db2.gz QZBGWHXOWHIDJF-FGZHOGPDSA-N 1 1 423.582 3.802 50 0 HHAAMO CCC1=C(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)CCCO1 ZINC000170611067 569245644 /nfs/dbraw/zinc/24/56/44/569245644.db2.gz BATFPKHPGJZQBN-UHFFFAOYSA-N 1 1 424.545 3.596 50 0 HHAAMO COc1ccc(-c2nc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cs2)cc1 ZINC000014108235 569258639 /nfs/dbraw/zinc/25/86/39/569258639.db2.gz UKACGDZSKKYKHX-UHFFFAOYSA-N 1 1 415.559 3.584 50 0 HHAAMO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)c1noc([C@@H](C2CC2)[NH+](C)C)n1 ZINC000252499992 569290995 /nfs/dbraw/zinc/29/09/95/569290995.db2.gz SLKZYRPWVDKMDE-DLBZAZTESA-N 1 1 402.495 3.705 50 0 HHAAMO CCO[C@H](O)[C@@H]1[NH2+][C@H](c2ccc(C(F)(F)F)cc2)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252626950 569310633 /nfs/dbraw/zinc/31/06/33/569310633.db2.gz RJAMVXLGGRZFAI-VHPHOLNESA-N 1 1 410.392 3.502 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000002294138 569369327 /nfs/dbraw/zinc/36/93/27/569369327.db2.gz ARGLLOMHEHTLDT-NSHDSACASA-N 1 1 408.296 3.530 50 0 HHAAMO O=C1Nc2ccccc2/C1=C\c1cnc(N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000012959990 569405354 /nfs/dbraw/zinc/40/53/54/569405354.db2.gz FSAMNOQBFXRPRE-XSFVSMFZSA-N 1 1 402.523 3.958 50 0 HHAAMO CCCC[N@@H+](C[C@@H](O)COc1cccc(C)c1)C[C@H](O)COc1cccc(C)c1 ZINC000013149383 569410107 /nfs/dbraw/zinc/41/01/07/569410107.db2.gz LGFPCLMEHARZNY-SZPZYZBQSA-N 1 1 401.547 3.585 50 0 HHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000079024378 569424601 /nfs/dbraw/zinc/42/46/01/569424601.db2.gz BUIGRYTWMJQJQY-FCEWJHQRSA-N 1 1 418.559 3.531 50 0 HHAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1ccccc1SCc1ccc(F)cc1 ZINC000670473388 571105754 /nfs/dbraw/zinc/10/57/54/571105754.db2.gz MVCVYKBXPNDQLF-IBGZPJMESA-N 1 1 402.535 3.695 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c(OC)c1 ZINC000008901438 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O[C@H](c1ccncc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000299764472 970722183 /nfs/dbraw/zinc/72/21/83/970722183.db2.gz HGAUHIPMYKCUOA-RUZDIDTESA-N 1 1 412.493 3.948 50 0 HHAAMO CCOc1ccc2nc(N3CCC[N@H+](Cc4nc5ccccc5[nH]4)CC3)nc(C)c2c1 ZINC000299772774 970722418 /nfs/dbraw/zinc/72/24/18/970722418.db2.gz AEMMTYCZYAXOPL-UHFFFAOYSA-N 1 1 416.529 3.926 50 0 HHAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4nc5ccccc5[nH]4)CC3)nc(C)c2c1 ZINC000299772774 970722424 /nfs/dbraw/zinc/72/24/24/970722424.db2.gz AEMMTYCZYAXOPL-UHFFFAOYSA-N 1 1 416.529 3.926 50 0 HHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(c4ccc(O)cc4)CC3)c2c1C ZINC000008189547 132328436 /nfs/dbraw/zinc/32/84/36/132328436.db2.gz RUDFIRQRSAXREL-UHFFFAOYSA-N 1 1 423.586 3.936 50 0 HHAAMO O=C(CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccccc1 ZINC000012890278 132368280 /nfs/dbraw/zinc/36/82/80/132368280.db2.gz BMIMGAGNXVKVPM-UHFFFAOYSA-N 1 1 412.843 3.905 50 0 HHAAMO CCOc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537393 520696119 /nfs/dbraw/zinc/69/61/19/520696119.db2.gz OCZVVGZDVOFFIZ-HXUWFJFHSA-N 1 1 413.537 3.717 50 0 HHAAMO CCOc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537393 520696131 /nfs/dbraw/zinc/69/61/31/520696131.db2.gz OCZVVGZDVOFFIZ-HXUWFJFHSA-N 1 1 413.537 3.717 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccco1 ZINC000043870057 522018438 /nfs/dbraw/zinc/01/84/38/522018438.db2.gz PKWGVRDOLLTRQT-INIZCTEOSA-N 1 1 407.396 3.909 50 0 HHAAMO C[N@@H+](CCCNc1cc(C(=O)N2CCOCC2)c2ccccc2n1)C1CCCCC1 ZINC000032829532 522773429 /nfs/dbraw/zinc/77/34/29/522773429.db2.gz SEIJXULDIZOLIR-UHFFFAOYSA-N 1 1 410.562 3.774 50 0 HHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000020591623 523081300 /nfs/dbraw/zinc/08/13/00/523081300.db2.gz PECWLVBNTYMCNI-IRXDYDNUSA-N 1 1 423.513 3.946 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000042963179 523336707 /nfs/dbraw/zinc/33/67/07/523336707.db2.gz ULCWJGDDZDFKNT-DEOSSOPVSA-N 1 1 409.505 3.837 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000042963179 523336726 /nfs/dbraw/zinc/33/67/26/523336726.db2.gz ULCWJGDDZDFKNT-DEOSSOPVSA-N 1 1 409.505 3.837 50 0 HHAAMO C[C@@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289233 525362931 /nfs/dbraw/zinc/36/29/31/525362931.db2.gz YPUJCOQXKARFGO-VGSWGCGISA-N 1 1 424.545 3.964 50 0 HHAAMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1OC ZINC000032870767 525911528 /nfs/dbraw/zinc/91/15/28/525911528.db2.gz XJCXMVKQDLNXRE-UHFFFAOYSA-N 1 1 422.529 3.967 50 0 HHAAMO Cc1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000040049112 527163989 /nfs/dbraw/zinc/16/39/89/527163989.db2.gz HUUVQULHYRDFAS-UHFFFAOYSA-N 1 1 404.539 3.904 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765681 527572619 /nfs/dbraw/zinc/57/26/19/527572619.db2.gz DSRTTYWMOBKEQQ-UHFFFAOYSA-N 1 1 408.546 3.515 50 0 HHAAMO O=C1Cc2cc(CC[NH+]3CCN(c4nsc5ccccc54)CC3)c(Cl)cc2N1 ZINC000000538550 557018374 /nfs/dbraw/zinc/01/83/74/557018374.db2.gz MVWVFYHBGMAFLY-UHFFFAOYSA-N 1 1 412.946 3.809 50 0 fda HHAAMO Cc1cc(C[NH+]2CCC([C@@H]3CCCCCN3S(=O)(=O)c3ccccc3)CC2)on1 ZINC000071889294 557293613 /nfs/dbraw/zinc/29/36/13/557293613.db2.gz BMIKNRKESJRUAZ-QFIPXVFZSA-N 1 1 417.575 3.829 50 0 HHAAMO O=C(Nc1ccc(Cl)cc1)c1coc(CN2CC[NH+](Cc3cccs3)CC2)n1 ZINC000034678294 557366673 /nfs/dbraw/zinc/36/66/73/557366673.db2.gz BVMUWDYBQKNAKF-UHFFFAOYSA-N 1 1 416.934 3.960 50 0 HHAAMO Cc1cccc(CNC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000034684126 557386926 /nfs/dbraw/zinc/38/69/26/557386926.db2.gz VODMHWAOGPJXKK-UHFFFAOYSA-N 1 1 403.526 3.836 50 0 HHAAMO Cc1cc([C@H]2C[C@H](C(=O)N3CCOCC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716777 557430146 /nfs/dbraw/zinc/43/01/46/557430146.db2.gz GZYJQPIIMAMLAA-SFTDATJTSA-N 1 1 414.496 3.738 50 0 HHAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc3c(c2)OCO3)CC1 ZINC000034855030 557476542 /nfs/dbraw/zinc/47/65/42/557476542.db2.gz OBVGRTBEIZOLFO-LJQANCHMSA-N 1 1 405.498 3.583 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@@H+]1Cc1ccsc1 ZINC000019743316 558263858 /nfs/dbraw/zinc/26/38/58/558263858.db2.gz JWUHAPRIEALELE-LJQANCHMSA-N 1 1 416.978 3.656 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@H+]1Cc1ccsc1 ZINC000019743316 558263862 /nfs/dbraw/zinc/26/38/62/558263862.db2.gz JWUHAPRIEALELE-LJQANCHMSA-N 1 1 416.978 3.656 50 0 HHAAMO Clc1cccc(N2CCN([C@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)c1 ZINC000019744873 558265504 /nfs/dbraw/zinc/26/55/04/558265504.db2.gz QUWFDOYOAFRWSE-IBGZPJMESA-N 1 1 412.068 3.775 50 0 HHAAMO OCCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000011698880 558270323 /nfs/dbraw/zinc/27/03/23/558270323.db2.gz HUPLKWNOORHJSY-AREMUKBSSA-N 1 1 408.586 3.978 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000011713226 558271467 /nfs/dbraw/zinc/27/14/67/558271467.db2.gz OXHHSAFIKQUMSV-KRWDZBQOSA-N 1 1 415.534 3.748 50 0 HHAAMO COc1cc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc2c1OCO2 ZINC000019781879 558281337 /nfs/dbraw/zinc/28/13/37/558281337.db2.gz KIKXLTXOVBPWFF-UHFFFAOYSA-N 1 1 408.420 3.761 50 0 HHAAMO CN(C[C@H]1CCCC[N@H+]1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000011874514 558292297 /nfs/dbraw/zinc/29/22/97/558292297.db2.gz FYSREIDJKNPDEC-QGZVFWFLSA-N 1 1 424.467 3.555 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000019838175 558293300 /nfs/dbraw/zinc/29/33/00/558293300.db2.gz PESUMELBLDGGOS-QFIPXVFZSA-N 1 1 404.501 3.659 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+]2CCCC2)cc1OC ZINC000011905346 558296039 /nfs/dbraw/zinc/29/60/39/558296039.db2.gz NCIKZLMTMOQMDH-HXUWFJFHSA-N 1 1 421.497 3.926 50 0 HHAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000011910152 558296625 /nfs/dbraw/zinc/29/66/25/558296625.db2.gz JJNMIPRSAJXCLP-PKOBYXMFSA-N 1 1 415.559 3.879 50 0 HHAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C3CCSCC3)C2)c(OC)c1 ZINC000011946740 558302390 /nfs/dbraw/zinc/30/23/90/558302390.db2.gz VSHFXOLMUFCRCX-QGZVFWFLSA-N 1 1 406.592 3.708 50 0 HHAAMO O=C1CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccccc1F ZINC000011964281 558304024 /nfs/dbraw/zinc/30/40/24/558304024.db2.gz UHGWSMDMEJZCIL-UHFFFAOYSA-N 1 1 406.461 3.643 50 0 HHAAMO CC1=C(CC[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 ZINC000012054349 558315086 /nfs/dbraw/zinc/31/50/86/558315086.db2.gz JHNXZDPRHOVKEL-GOSISDBHSA-N 1 1 401.599 3.886 50 0 HHAAMO CN(C(=O)CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000012074354 558319191 /nfs/dbraw/zinc/31/91/91/558319191.db2.gz KZXLZAOUTRRLDT-SFHVURJKSA-N 1 1 423.548 3.833 50 0 HHAAMO CC(=O)c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000020201320 558345775 /nfs/dbraw/zinc/34/57/75/558345775.db2.gz OQBRJFNYACXYOK-NRFANRHFSA-N 1 1 401.551 3.876 50 0 HHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000012200026 558351022 /nfs/dbraw/zinc/35/10/22/558351022.db2.gz DEOCAPJBMZJODN-RTWAWAEBSA-N 1 1 414.571 3.964 50 0 HHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC000012200026 558351024 /nfs/dbraw/zinc/35/10/24/558351024.db2.gz DEOCAPJBMZJODN-RTWAWAEBSA-N 1 1 414.571 3.964 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 ZINC000012206896 558352962 /nfs/dbraw/zinc/35/29/62/558352962.db2.gz IJPWWTPFLGHENV-KRWDZBQOSA-N 1 1 403.498 3.878 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1C ZINC000020450308 558365255 /nfs/dbraw/zinc/36/52/55/558365255.db2.gz YYJVJNXVGSRYGI-QHCPKHFHSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1C ZINC000020450308 558365257 /nfs/dbraw/zinc/36/52/57/558365257.db2.gz YYJVJNXVGSRYGI-QHCPKHFHSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1C ZINC000020450308 558365259 /nfs/dbraw/zinc/36/52/59/558365259.db2.gz YYJVJNXVGSRYGI-QHCPKHFHSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(C)c1C ZINC000020453280 558367448 /nfs/dbraw/zinc/36/74/48/558367448.db2.gz CAHYPYMKZRFOOI-QFIPXVFZSA-N 1 1 407.558 3.862 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(C)c1C ZINC000020453280 558367451 /nfs/dbraw/zinc/36/74/51/558367451.db2.gz CAHYPYMKZRFOOI-QFIPXVFZSA-N 1 1 407.558 3.862 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(C)c1C ZINC000020453280 558367455 /nfs/dbraw/zinc/36/74/55/558367455.db2.gz CAHYPYMKZRFOOI-QFIPXVFZSA-N 1 1 407.558 3.862 50 0 HHAAMO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000012296368 558367469 /nfs/dbraw/zinc/36/74/69/558367469.db2.gz HBIHILGQENLYSC-GHBBCFCZSA-N 1 1 407.599 3.698 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000012306576 558375302 /nfs/dbraw/zinc/37/53/02/558375302.db2.gz XDWZQSFXSXZQIB-OAQYLSRUSA-N 1 1 416.525 3.966 50 0 HHAAMO CCn1nc(CC(C)C)cc1C(=O)N(C)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012314969 558378392 /nfs/dbraw/zinc/37/83/92/558378392.db2.gz VUTCKPSHDYQOAX-QFIPXVFZSA-N 1 1 408.590 3.805 50 0 HHAAMO CCOc1cc2c(cc1OC)[C@H](c1cc3c(cc1Br)OCO3)[NH2+]CC2 ZINC000020506850 558381740 /nfs/dbraw/zinc/38/17/40/558381740.db2.gz KVDXCHXNUDEJGR-LJQANCHMSA-N 1 1 406.276 3.820 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020517729 558383088 /nfs/dbraw/zinc/38/30/88/558383088.db2.gz PANHUMAEPJBRCQ-CQHJRZBDSA-N 1 1 409.917 3.942 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)ccc2C)C1=O ZINC000020533157 558384300 /nfs/dbraw/zinc/38/43/00/558384300.db2.gz KOJJHCFJIIRFQB-NDWLXSOOSA-N 1 1 403.526 3.905 50 0 HHAAMO CCCn1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020534181 558385597 /nfs/dbraw/zinc/38/55/97/558385597.db2.gz LSIKTOCOSNVFBJ-QFIPXVFZSA-N 1 1 414.594 3.758 50 0 HHAAMO CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@H]1CC[N@@H+](C)C1 ZINC000012434204 558408097 /nfs/dbraw/zinc/40/80/97/558408097.db2.gz PJYXNHSNWJTANF-AWEZNQCLSA-N 1 1 408.449 3.858 50 0 HHAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000020906381 558421162 /nfs/dbraw/zinc/42/11/62/558421162.db2.gz UYVDKTJVAJMTOE-QFIPXVFZSA-N 1 1 403.530 3.956 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000020998659 558427373 /nfs/dbraw/zinc/42/73/73/558427373.db2.gz XMJLNBZSCFHGRD-KRWDZBQOSA-N 1 1 418.969 3.699 50 0 HHAAMO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cc(OC)ccc2OC)C3)c1 ZINC000021038382 558429994 /nfs/dbraw/zinc/42/99/94/558429994.db2.gz NQKUPTNOIJVFSW-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1cccc(Nc2ncc3c(n2)CC[N@H+](Cc2cc(OC)ccc2OC)C3)c1 ZINC000021038382 558429997 /nfs/dbraw/zinc/42/99/97/558429997.db2.gz NQKUPTNOIJVFSW-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000012576206 558430994 /nfs/dbraw/zinc/43/09/94/558430994.db2.gz IJQVMOVPBUIEEH-APTRMMRNSA-N 1 1 408.546 3.548 50 0 HHAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)c1 ZINC000012584262 558433692 /nfs/dbraw/zinc/43/36/92/558433692.db2.gz ABSYTHRBOWGRFO-QGZVFWFLSA-N 1 1 407.514 3.827 50 0 HHAAMO C[N@@H+]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](c2ccccc2)C1 ZINC000072039940 558434111 /nfs/dbraw/zinc/43/41/11/558434111.db2.gz WAJCPYWPECGPDC-IBGZPJMESA-N 1 1 420.326 3.829 50 0 HHAAMO C[N@H+]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@H](c2ccccc2)C1 ZINC000072039940 558434116 /nfs/dbraw/zinc/43/41/16/558434116.db2.gz WAJCPYWPECGPDC-IBGZPJMESA-N 1 1 420.326 3.829 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012593407 558436648 /nfs/dbraw/zinc/43/66/48/558436648.db2.gz AOYUARWXDXOVQF-QGZVFWFLSA-N 1 1 403.906 3.815 50 0 HHAAMO CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000012703389 558448480 /nfs/dbraw/zinc/44/84/80/558448480.db2.gz VHVZVWDPTHDHJN-PTLVVNQVSA-N 1 1 408.546 3.548 50 0 HHAAMO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012790948 558465573 /nfs/dbraw/zinc/46/55/73/558465573.db2.gz NUAWPUCMSTWIJO-PMACEKPBSA-N 1 1 419.928 3.653 50 0 HHAAMO CC(=O)NCc1ccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000022294878 558476657 /nfs/dbraw/zinc/47/66/57/558476657.db2.gz HFLYRRWXKXWEAM-HUUCEWRRSA-N 1 1 400.548 3.509 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000012978993 558492728 /nfs/dbraw/zinc/49/27/28/558492728.db2.gz MAOYRHCVINJDBE-OAHLLOKOSA-N 1 1 416.319 3.738 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000012978993 558492730 /nfs/dbraw/zinc/49/27/30/558492730.db2.gz MAOYRHCVINJDBE-OAHLLOKOSA-N 1 1 416.319 3.738 50 0 HHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C1CCCCC1 ZINC000022913884 558520861 /nfs/dbraw/zinc/52/08/61/558520861.db2.gz USWOHPYHDMQLHR-OAQYLSRUSA-N 1 1 402.970 3.931 50 0 HHAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1c(F)cccc1F ZINC000022930446 558524271 /nfs/dbraw/zinc/52/42/71/558524271.db2.gz MHZIWEBCPHQNEY-UHFFFAOYSA-N 1 1 401.482 3.936 50 0 HHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1CCc1ccccc1 ZINC000023153413 558539424 /nfs/dbraw/zinc/53/94/24/558539424.db2.gz AAIULNQTTHSDBK-HSZRJFAPSA-N 1 1 424.976 3.841 50 0 HHAAMO CCn1c(Cc2ccccc2)nn(CN2CC[NH+](Cc3ccsc3)CC2)c1=S ZINC000023250130 558545860 /nfs/dbraw/zinc/54/58/60/558545860.db2.gz MEUSFWFIRLPIRM-UHFFFAOYSA-N 1 1 413.616 3.862 50 0 HHAAMO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374982 558554553 /nfs/dbraw/zinc/55/45/53/558554553.db2.gz IFWUGSJUQPQBIB-DEOSSOPVSA-N 1 1 401.558 3.863 50 0 HHAAMO c1[nH]nc(-c2ccccc2)c1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000023374982 558554555 /nfs/dbraw/zinc/55/45/55/558554555.db2.gz IFWUGSJUQPQBIB-DEOSSOPVSA-N 1 1 401.558 3.863 50 0 HHAAMO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013638104 558554972 /nfs/dbraw/zinc/55/49/72/558554972.db2.gz ZQGGTDDDIJTIOE-LJQANCHMSA-N 1 1 409.442 3.502 50 0 HHAAMO CC(C)[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000024829728 558614513 /nfs/dbraw/zinc/61/45/13/558614513.db2.gz YUGGVEWXVWAKAK-QHCPKHFHSA-N 1 1 409.530 3.556 50 0 HHAAMO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000025054007 558629060 /nfs/dbraw/zinc/62/90/60/558629060.db2.gz BJENUGGOEAJBNG-LBPRGKRZSA-N 1 1 409.467 3.867 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000025082357 558630819 /nfs/dbraw/zinc/63/08/19/558630819.db2.gz DFSVZEXUOLFFTR-ROUUACIJSA-N 1 1 418.541 3.914 50 0 HHAAMO O=C(CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000026134709 558656365 /nfs/dbraw/zinc/65/63/65/558656365.db2.gz SCLMEMAFAJZUQU-QGZVFWFLSA-N 1 1 410.301 3.696 50 0 HHAAMO C[C@H](CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000026173139 558656843 /nfs/dbraw/zinc/65/68/43/558656843.db2.gz WYTWCMWAKPFZQN-QZTJIDSGSA-N 1 1 420.557 3.842 50 0 HHAAMO C[N@H+]1CCCN(C(=O)[C@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 ZINC000014953934 558681671 /nfs/dbraw/zinc/68/16/71/558681671.db2.gz BGKCSEGBOWRPAW-OYQOIYBLSA-N 1 1 401.982 3.533 50 0 HHAAMO CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000014956565 558682727 /nfs/dbraw/zinc/68/27/27/558682727.db2.gz BSVSVQFTYQSGHE-QGZVFWFLSA-N 1 1 410.514 3.829 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC000014962187 558684310 /nfs/dbraw/zinc/68/43/10/558684310.db2.gz DDQMEILYBVEZBR-IBGZPJMESA-N 1 1 412.578 3.579 50 0 HHAAMO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1C ZINC000015068390 558710956 /nfs/dbraw/zinc/71/09/56/558710956.db2.gz BSVAAPFUYRNDLN-RTWAWAEBSA-N 1 1 422.525 3.745 50 0 HHAAMO OCCOc1cccc(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000015069495 558711733 /nfs/dbraw/zinc/71/17/33/558711733.db2.gz OZXNCTDOAOQTCP-VWLOTQADSA-N 1 1 419.521 3.728 50 0 HHAAMO OCCOc1cccc(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000015069495 558711735 /nfs/dbraw/zinc/71/17/35/558711735.db2.gz OZXNCTDOAOQTCP-VWLOTQADSA-N 1 1 419.521 3.728 50 0 HHAAMO O=C(c1cscn1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015071765 558713190 /nfs/dbraw/zinc/71/31/90/558713190.db2.gz OKPAJFUMJZLAHX-KRWDZBQOSA-N 1 1 424.492 3.589 50 0 HHAAMO CCOc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000072305148 558757875 /nfs/dbraw/zinc/75/78/75/558757875.db2.gz WLTLEVCPHJSIKT-NRFANRHFSA-N 1 1 418.921 3.633 50 0 HHAAMO CCOc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1CO ZINC000072305148 558757878 /nfs/dbraw/zinc/75/78/78/558757878.db2.gz WLTLEVCPHJSIKT-NRFANRHFSA-N 1 1 418.921 3.633 50 0 HHAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1F ZINC000033326832 558766857 /nfs/dbraw/zinc/76/68/57/558766857.db2.gz WBQCOHPHSBACEW-UHFFFAOYSA-N 1 1 412.513 3.577 50 0 HHAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000016396555 558789525 /nfs/dbraw/zinc/78/95/25/558789525.db2.gz OTHRVSGAHNHVEP-UHFFFAOYSA-N 1 1 410.905 3.918 50 0 HHAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000036038357 558796791 /nfs/dbraw/zinc/79/67/91/558796791.db2.gz QHOFUTURFHYTTR-XZZVZQAVSA-N 1 1 410.473 3.825 50 0 HHAAMO C[N@H+]1C[C@@H](c2ccccc2)[C@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000036038357 558796793 /nfs/dbraw/zinc/79/67/93/558796793.db2.gz QHOFUTURFHYTTR-XZZVZQAVSA-N 1 1 410.473 3.825 50 0 HHAAMO Cc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052923 558813223 /nfs/dbraw/zinc/81/32/23/558813223.db2.gz UCWGUPBMTMJKEA-UHFFFAOYSA-N 1 1 413.529 3.928 50 0 HHAAMO CCOCc1cc(CN2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039544156 558822167 /nfs/dbraw/zinc/82/21/67/558822167.db2.gz IUCOADGZYWEGDB-HSZRJFAPSA-N 1 1 404.595 3.681 50 0 HHAAMO COc1ccc(NC2CC[NH+]([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000018271450 558835241 /nfs/dbraw/zinc/83/52/41/558835241.db2.gz XHDMROWYTZNCOQ-FQEVSTJZSA-N 1 1 413.905 3.557 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1)C(=O)OC(C)(C)C ZINC000060339749 558852567 /nfs/dbraw/zinc/85/25/67/558852567.db2.gz ZWEFNBBGPWIMAW-QGZVFWFLSA-N 1 1 406.523 3.763 50 0 HHAAMO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CCC2 ZINC000019224771 558852603 /nfs/dbraw/zinc/85/26/03/558852603.db2.gz HHRMVQSDNGHAJF-QHCPKHFHSA-N 1 1 401.558 3.941 50 0 HHAAMO O=C(c1cc(F)c(F)cc1F)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055042669 558870562 /nfs/dbraw/zinc/87/05/62/558870562.db2.gz JVECWNBAQKCKTG-KRWDZBQOSA-N 1 1 421.438 3.670 50 0 HHAAMO COCCN(Cc1ccc(OC)c(O)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055134221 558873796 /nfs/dbraw/zinc/87/37/96/558873796.db2.gz UMRVEJRCPIIURT-OAQYLSRUSA-N 1 1 424.585 3.729 50 0 HHAAMO Cc1nc(C)c(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)s1 ZINC000055153364 558874247 /nfs/dbraw/zinc/87/42/47/558874247.db2.gz KMXIHWHENWMZKM-LJQANCHMSA-N 1 1 418.994 3.840 50 0 HHAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH+]2CCN(c3cnccn3)CC2)o1 ZINC000055153744 558874436 /nfs/dbraw/zinc/87/44/36/558874436.db2.gz WCRBIWRQULVTRX-UHFFFAOYSA-N 1 1 418.476 3.692 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055414784 558881033 /nfs/dbraw/zinc/88/10/33/558881033.db2.gz MXBMINVHGARNFP-AREMUKBSSA-N 1 1 419.569 3.692 50 0 HHAAMO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1F ZINC000058159588 558904700 /nfs/dbraw/zinc/90/47/00/558904700.db2.gz CJGZWDMMCRSFLE-LBPRGKRZSA-N 1 1 407.371 3.715 50 0 HHAAMO CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nncn2C)c1)[N@H+]1CCc2ccccc2C1 ZINC000058161637 558905628 /nfs/dbraw/zinc/90/56/28/558905628.db2.gz VMGKZYVNGNUYLS-JOCHJYFZSA-N 1 1 418.545 3.687 50 0 HHAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[N@H+](C)[C@H](CCO)C1 ZINC000071638822 558906204 /nfs/dbraw/zinc/90/62/04/558906204.db2.gz AZIKMJIKWWAHES-HXUWFJFHSA-N 1 1 407.514 3.941 50 0 HHAAMO CCC[N@H+]1Cc2ccc(NC(=O)Cn3cnc4c5ccccc5oc4c3=O)cc2C1 ZINC000058174843 558908997 /nfs/dbraw/zinc/90/89/97/558908997.db2.gz QQPACVIBYDPIMP-UHFFFAOYSA-N 1 1 402.454 3.507 50 0 HHAAMO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000058964674 558931121 /nfs/dbraw/zinc/93/11/21/558931121.db2.gz PQKWEPSWBMLCKN-GOSISDBHSA-N 1 1 414.571 3.642 50 0 HHAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000059935890 558940112 /nfs/dbraw/zinc/94/01/12/558940112.db2.gz ZNYCHKYEJFKGIP-LJQANCHMSA-N 1 1 415.921 3.586 50 0 HHAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000059935890 558940114 /nfs/dbraw/zinc/94/01/14/558940114.db2.gz ZNYCHKYEJFKGIP-LJQANCHMSA-N 1 1 415.921 3.586 50 0 HHAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1 ZINC000021735784 558944905 /nfs/dbraw/zinc/94/49/05/558944905.db2.gz ZAGGPWZFCJWVGD-SFHVURJKSA-N 1 1 422.554 3.658 50 0 HHAAMO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000011203685 558946227 /nfs/dbraw/zinc/94/62/27/558946227.db2.gz YXHGZCAXXHRLRI-INIZCTEOSA-N 1 1 421.463 3.931 50 0 HHAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000011203685 558946230 /nfs/dbraw/zinc/94/62/30/558946230.db2.gz YXHGZCAXXHRLRI-INIZCTEOSA-N 1 1 421.463 3.931 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000019606734 558946540 /nfs/dbraw/zinc/94/65/40/558946540.db2.gz JTUAGOCWIOINHR-NRFANRHFSA-N 1 1 405.539 3.736 50 0 HHAAMO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](CCCO)C4)nc12 ZINC000067446801 558986558 /nfs/dbraw/zinc/98/65/58/558986558.db2.gz GNTFIIPHPAWTPF-UHFFFAOYSA-N 1 1 408.498 3.804 50 0 HHAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)[C@H]3CC34CCC4)CC2)OC1=O)C1CCCCC1 ZINC000077470431 559006447 /nfs/dbraw/zinc/00/64/47/559006447.db2.gz ACDMSQKUKIVAQJ-HXUWFJFHSA-N 1 1 417.594 3.645 50 0 HHAAMO CCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 ZINC000082092558 559037109 /nfs/dbraw/zinc/03/71/09/559037109.db2.gz INLHNHFIXWLYCQ-QFIPXVFZSA-N 1 1 412.622 3.939 50 0 HHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000011667728 559159615 /nfs/dbraw/zinc/15/96/15/559159615.db2.gz UWSKJDYLLVJGCW-UHFFFAOYSA-N 1 1 422.348 3.628 50 0 HHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(N)=O)C1 ZINC000011667728 559159616 /nfs/dbraw/zinc/15/96/16/559159616.db2.gz UWSKJDYLLVJGCW-UHFFFAOYSA-N 1 1 422.348 3.628 50 0 HHAAMO CC1(C)CCC[N@H+]1Cc1cn(C2CCN(C(=O)Nc3ccccc3F)CC2)nn1 ZINC000023619580 559178265 /nfs/dbraw/zinc/17/82/65/559178265.db2.gz BPTGMFAFVUPPGJ-UHFFFAOYSA-N 1 1 400.502 3.661 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000004860741 559193133 /nfs/dbraw/zinc/19/31/33/559193133.db2.gz GWSSOODOEXHBJQ-NEPJUHHUSA-N 1 1 422.323 3.776 50 0 HHAAMO CCOc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000011838324 559261366 /nfs/dbraw/zinc/26/13/66/559261366.db2.gz JLXSEKZFCPNYQI-GOSISDBHSA-N 1 1 400.494 3.875 50 0 HHAAMO CCOc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000011838323 559261370 /nfs/dbraw/zinc/26/13/70/559261370.db2.gz JLXSEKZFCPNYQI-SFHVURJKSA-N 1 1 400.494 3.875 50 0 HHAAMO COc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@@H+]24)c(F)c1 ZINC000011878389 559265032 /nfs/dbraw/zinc/26/50/32/559265032.db2.gz UTFAFTGQGQVZJT-WYRQLCSISA-N 1 1 406.501 3.740 50 0 HHAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(OC)c1OC ZINC000006364678 560560030 /nfs/dbraw/zinc/56/00/30/560560030.db2.gz MHFLBRDHUQVIMT-IBGZPJMESA-N 1 1 417.531 3.969 50 0 HHAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000005489940 560597980 /nfs/dbraw/zinc/59/79/80/560597980.db2.gz NBGLNGIBYWBIPG-DHIUTWEWSA-N 1 1 409.449 3.894 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCC2)cc1 ZINC000017911699 560730446 /nfs/dbraw/zinc/73/04/46/560730446.db2.gz YFBYYZCQAQKVRP-FQEVSTJZSA-N 1 1 406.482 3.677 50 0 HHAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@@H](O)COC(C)C)C1 ZINC000104982773 560858965 /nfs/dbraw/zinc/85/89/65/560858965.db2.gz XNJBVESUFGJTCK-FGZHOGPDSA-N 1 1 414.521 3.915 50 0 HHAAMO COc1ccc([C@@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cn3C2)cc1 ZINC000105065131 560861326 /nfs/dbraw/zinc/86/13/26/560861326.db2.gz ZDMZLNXQHOJNDR-AZUAARDMSA-N 1 1 410.562 3.616 50 0 HHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)ccn1 ZINC000047013659 560879793 /nfs/dbraw/zinc/87/97/93/560879793.db2.gz VZJBNMRYICSCFG-UHFFFAOYSA-N 1 1 407.474 3.853 50 0 HHAAMO CCCCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106170875 560884955 /nfs/dbraw/zinc/88/49/55/560884955.db2.gz QJBLSCLINGUYJO-MOPGFXCFSA-N 1 1 403.567 3.739 50 0 HHAAMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106170875 560884956 /nfs/dbraw/zinc/88/49/56/560884956.db2.gz QJBLSCLINGUYJO-MOPGFXCFSA-N 1 1 403.567 3.739 50 0 HHAAMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106170873 560885035 /nfs/dbraw/zinc/88/50/35/560885035.db2.gz QJBLSCLINGUYJO-RTBURBONSA-N 1 1 403.567 3.739 50 0 HHAAMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000106170873 560885036 /nfs/dbraw/zinc/88/50/36/560885036.db2.gz QJBLSCLINGUYJO-RTBURBONSA-N 1 1 403.567 3.739 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022908168 568416366 /nfs/dbraw/zinc/41/63/66/568416366.db2.gz WMTDHDAQJALXBO-HXUWFJFHSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022908168 568416367 /nfs/dbraw/zinc/41/63/67/568416367.db2.gz WMTDHDAQJALXBO-HXUWFJFHSA-N 1 1 423.513 3.742 50 0 HHAAMO COc1ccccc1[C@H](CNS(=O)(=O)c1cc(C)ccc1F)[NH+]1CCCCC1 ZINC000048287664 568434675 /nfs/dbraw/zinc/43/46/75/568434675.db2.gz CYKSJTGDVLTKNO-IBGZPJMESA-N 1 1 406.523 3.648 50 0 HHAAMO O=C(Cn1ccc2cc(Br)ccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296382 568462676 /nfs/dbraw/zinc/46/26/76/568462676.db2.gz SQCUUNGZPMCNPU-FUHWJXTLSA-N 1 1 404.352 3.785 50 0 biogenic HHAAMO COc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007015234 568468634 /nfs/dbraw/zinc/46/86/34/568468634.db2.gz ZEQJDDZUHBOUKY-QNHAZURESA-N 1 1 400.563 3.652 50 0 HHAAMO COc1c2c(cc3c1[C@H](CC(=O)Cc1ccc(OC(C)C)cc1)[N@H+](C)CC3)OCO2 ZINC000020111923 568588843 /nfs/dbraw/zinc/58/88/43/568588843.db2.gz AZRATZTYMNCJJX-FQEVSTJZSA-N 1 1 411.498 3.942 50 0 biogenic HHAAMO COc1c2c(cc3c1[C@H](CC(=O)Cc1ccc(OC(C)C)cc1)[N@@H+](C)CC3)OCO2 ZINC000020111923 568588844 /nfs/dbraw/zinc/58/88/44/568588844.db2.gz AZRATZTYMNCJJX-FQEVSTJZSA-N 1 1 411.498 3.942 50 0 biogenic HHAAMO CCc1ccccc1Nc1cc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1 ZINC000020212270 568594443 /nfs/dbraw/zinc/59/44/43/568594443.db2.gz LWAMPTQDPBGZBL-UHFFFAOYSA-N 1 1 418.541 3.993 50 0 HHAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000020241833 568596107 /nfs/dbraw/zinc/59/61/07/568596107.db2.gz QZEVQLJOSLIPRI-UHFFFAOYSA-N 1 1 415.537 3.947 50 0 biogenic HHAAMO C[C@@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288517 568597872 /nfs/dbraw/zinc/59/78/72/568597872.db2.gz WZLKIBZOHNCCPE-GCJKJVERSA-N 1 1 406.555 3.825 50 0 HHAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000225396302 568634028 /nfs/dbraw/zinc/63/40/28/568634028.db2.gz OVGZOBWFBNCWGD-GOTSBHOMSA-N 1 1 403.526 3.797 50 0 HHAAMO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762945 568642809 /nfs/dbraw/zinc/64/28/09/568642809.db2.gz AHIUEMBECMBWDH-PXNSSMCTSA-N 1 1 411.550 3.685 50 0 biogenic HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020867168 568646898 /nfs/dbraw/zinc/64/68/98/568646898.db2.gz PKOMNJGTSZXKKI-OAHLLOKOSA-N 1 1 418.584 3.697 50 0 HHAAMO CN(C)C(=O)C1CC[NH+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)CC1 ZINC000095966229 568670875 /nfs/dbraw/zinc/67/08/75/568670875.db2.gz YGEIHRISGFAODU-OAQYLSRUSA-N 1 1 404.507 3.795 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCc2n[nH]c(C)n2)cc1 ZINC000096003710 568682069 /nfs/dbraw/zinc/68/20/69/568682069.db2.gz PQURZCYTAMLPDO-UHFFFAOYSA-N 1 1 402.502 3.697 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(C)=O)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275720 568714601 /nfs/dbraw/zinc/71/46/01/568714601.db2.gz JDEXQAZZIYGLOY-UHFFFAOYSA-N 1 1 418.541 3.734 50 0 HHAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420322 568720495 /nfs/dbraw/zinc/72/04/95/568720495.db2.gz MHLQXVOWVVZPPS-WCQYABFASA-N 1 1 407.146 3.826 50 0 HHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460548 568768350 /nfs/dbraw/zinc/76/83/50/568768350.db2.gz SIFYLFCERPLKRX-HNAYVOBHSA-N 1 1 406.596 3.941 50 0 HHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460553 568768416 /nfs/dbraw/zinc/76/84/16/568768416.db2.gz SIFYLFCERPLKRX-KXBFYZLASA-N 1 1 406.596 3.941 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055748712 568782928 /nfs/dbraw/zinc/78/29/28/568782928.db2.gz QBVKBHYCCRSXQX-BBWFWOEESA-N 1 1 402.970 3.989 50 0 HHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000057270813 568825468 /nfs/dbraw/zinc/82/54/68/568825468.db2.gz IUFMPKZYTSPMKI-QFIPXVFZSA-N 1 1 405.523 3.958 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478401 568839749 /nfs/dbraw/zinc/83/97/49/568839749.db2.gz QQPDXCMNKSVIEC-JOCHJYFZSA-N 1 1 407.514 3.552 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478401 568839750 /nfs/dbraw/zinc/83/97/50/568839750.db2.gz QQPDXCMNKSVIEC-JOCHJYFZSA-N 1 1 407.514 3.552 50 0 HHAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000003048413 568849614 /nfs/dbraw/zinc/84/96/14/568849614.db2.gz LNEDVKXDMWELJG-HYBUGGRVSA-N 1 1 419.569 3.930 50 0 HHAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000230151610 568852837 /nfs/dbraw/zinc/85/28/37/568852837.db2.gz DGVXAVIHODYYOB-DLBZAZTESA-N 1 1 417.579 3.683 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000230208107 568854924 /nfs/dbraw/zinc/85/49/24/568854924.db2.gz LNQHBBQGMXBOHP-QAPCUYQASA-N 1 1 402.926 3.733 50 0 biogenic HHAAMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000504065642 568864836 /nfs/dbraw/zinc/86/48/36/568864836.db2.gz WPEUNQPOHNFYQG-SJLPKXTDSA-N 1 1 402.926 3.703 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)c(Br)s1)c1ccco1 ZINC000003334160 568882491 /nfs/dbraw/zinc/88/24/91/568882491.db2.gz RMDOTGPZIHXBJS-VIFPVBQESA-N 1 1 422.142 3.899 50 0 HHAAMO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1C(F)(F)F ZINC000670443556 568902437 /nfs/dbraw/zinc/90/24/37/568902437.db2.gz JZJKMMJHAPCKEU-CYBMUJFWSA-N 1 1 404.479 3.710 50 0 HHAAMO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1C(F)(F)F ZINC000670443556 568902438 /nfs/dbraw/zinc/90/24/38/568902438.db2.gz JZJKMMJHAPCKEU-CYBMUJFWSA-N 1 1 404.479 3.710 50 0 HHAAMO COC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000012709798 568917623 /nfs/dbraw/zinc/91/76/23/568917623.db2.gz NBUSYOCFCCUMJP-RUZDIDTESA-N 1 1 422.525 3.610 50 0 HHAAMO Fc1ccccc1N1CCN(c2ncc3c(n2)CC[N@H+](CCc2ccccc2)C3)CC1 ZINC000015779701 568920675 /nfs/dbraw/zinc/92/06/75/568920675.db2.gz AGMIBEOSLJEWGU-UHFFFAOYSA-N 1 1 417.532 3.543 50 0 HHAAMO C[NH+](C)Cc1nc2ccccc2c(SCC(=O)NCc2ccccc2Cl)n1 ZINC000031619232 568928729 /nfs/dbraw/zinc/92/87/29/568928729.db2.gz ANAFGMLFBCHMGT-UHFFFAOYSA-N 1 1 400.935 3.753 50 0 HHAAMO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012742411 568929362 /nfs/dbraw/zinc/92/93/62/568929362.db2.gz OGNBPGBOIBGZKR-GOSISDBHSA-N 1 1 411.452 3.943 50 0 HHAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000012754941 568942467 /nfs/dbraw/zinc/94/24/67/568942467.db2.gz XDPQWQSELXBGDK-UHFFFAOYSA-N 1 1 418.541 3.608 50 0 HHAAMO Cn1cc(CCC(=O)OC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000084318335 568946000 /nfs/dbraw/zinc/94/60/00/568946000.db2.gz VBXGEFKAIZDEBB-FXAWDEMLSA-N 1 1 409.452 3.998 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000012783006 568958558 /nfs/dbraw/zinc/95/85/58/568958558.db2.gz IBFKBXYUBWDOMR-UHFFFAOYSA-N 1 1 420.340 3.960 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676919 568964960 /nfs/dbraw/zinc/96/49/60/568964960.db2.gz FEJSQVBVXKVZHN-IBGZPJMESA-N 1 1 419.573 3.695 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)cc1C ZINC000104302946 569008256 /nfs/dbraw/zinc/00/82/56/569008256.db2.gz LRRUWWLUROCTBF-OAQYLSRUSA-N 1 1 400.588 3.794 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@H]2CCO)cc1C ZINC000104302946 569008258 /nfs/dbraw/zinc/00/82/58/569008258.db2.gz LRRUWWLUROCTBF-OAQYLSRUSA-N 1 1 400.588 3.794 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@H]2CCO)cc1C ZINC000104302946 569008259 /nfs/dbraw/zinc/00/82/59/569008259.db2.gz LRRUWWLUROCTBF-OAQYLSRUSA-N 1 1 400.588 3.794 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012909554 569021410 /nfs/dbraw/zinc/02/14/10/569021410.db2.gz XQQKWNODAONREE-CQSZACIVSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012909554 569021411 /nfs/dbraw/zinc/02/14/11/569021411.db2.gz XQQKWNODAONREE-CQSZACIVSA-N 1 1 403.408 3.918 50 0 HHAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053348671 569027365 /nfs/dbraw/zinc/02/73/65/569027365.db2.gz YPWCBPGNLZPDOZ-UHFFFAOYSA-N 1 1 400.885 3.835 50 0 HHAAMO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc32)c1 ZINC000035559998 569044931 /nfs/dbraw/zinc/04/49/31/569044931.db2.gz YCWGXHFTXCUJNV-IBGZPJMESA-N 1 1 420.557 3.945 50 0 HHAAMO NC(=O)CCN(C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 ZINC000013002426 569049232 /nfs/dbraw/zinc/04/92/32/569049232.db2.gz KIKWGHSZEFMBOF-XMMPIXPASA-N 1 1 419.550 3.604 50 0 HHAAMO NC(=O)CCN(C(=O)C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 ZINC000013002426 569049233 /nfs/dbraw/zinc/04/92/33/569049233.db2.gz KIKWGHSZEFMBOF-XMMPIXPASA-N 1 1 419.550 3.604 50 0 HHAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]CCc3ccc(C)cc3)s2)CC1 ZINC000007002092 569051750 /nfs/dbraw/zinc/05/17/50/569051750.db2.gz NUHVHNCIGNLJOG-UHFFFAOYSA-N 1 1 424.618 3.502 50 0 HHAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000239352693 569054282 /nfs/dbraw/zinc/05/42/82/569054282.db2.gz ADBORCLBYCLPMF-FQEVSTJZSA-N 1 1 400.473 3.916 50 0 HHAAMO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199269 569059051 /nfs/dbraw/zinc/05/90/51/569059051.db2.gz XXEFNKUKVVUJPS-CSGUBPAMSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199269 569059052 /nfs/dbraw/zinc/05/90/52/569059052.db2.gz XXEFNKUKVVUJPS-CSGUBPAMSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199269 569059053 /nfs/dbraw/zinc/05/90/53/569059053.db2.gz XXEFNKUKVVUJPS-CSGUBPAMSA-N 1 1 403.530 3.507 50 0 HHAAMO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc2c(cc1Br)OCCO2 ZINC000054176343 569059999 /nfs/dbraw/zinc/05/99/99/569059999.db2.gz CLDNDKJMQBKDIQ-GFCCVEGCSA-N 1 1 406.276 3.842 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000035808728 569060879 /nfs/dbraw/zinc/06/08/79/569060879.db2.gz GUKMKSGIQMCCDG-VPKVUBIPSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000035808728 569060880 /nfs/dbraw/zinc/06/08/80/569060880.db2.gz GUKMKSGIQMCCDG-VPKVUBIPSA-N 1 1 411.889 3.619 50 0 HHAAMO Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)[nH]1 ZINC000426518328 569073314 /nfs/dbraw/zinc/07/33/14/569073314.db2.gz NGAFXTWLHXTFEP-DEOSSOPVSA-N 1 1 409.578 3.684 50 0 HHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)s1 ZINC000036101340 569091522 /nfs/dbraw/zinc/09/15/22/569091522.db2.gz DCKLCSBRHSJBCP-SFHVURJKSA-N 1 1 415.511 3.958 50 0 HHAAMO CC[C@H](C)[N@@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724929 569100712 /nfs/dbraw/zinc/10/07/12/569100712.db2.gz OHHRDNBXMRTJGU-KRWDZBQOSA-N 1 1 410.518 3.944 50 0 HHAAMO CC[C@H](O)C[N@@H+](CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000036154840 569100925 /nfs/dbraw/zinc/10/09/25/569100925.db2.gz KQWBKTUEBNCVFG-INIZCTEOSA-N 1 1 420.307 3.908 50 0 HHAAMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000169681642 569127677 /nfs/dbraw/zinc/12/76/77/569127677.db2.gz PAWORNMZZRBLRK-KNQAVFIVSA-N 1 1 405.922 3.770 50 0 HHAAMO O=C(Nc1cccc(F)c1)N1CC[NH+]([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036310757 569131933 /nfs/dbraw/zinc/13/19/33/569131933.db2.gz QNKCRMJHOVPTQE-NRFANRHFSA-N 1 1 416.541 3.547 50 0 HHAAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310785 569131938 /nfs/dbraw/zinc/13/19/38/569131938.db2.gz HMXUJINGUBXWQS-DENIHFKCSA-N 1 1 412.578 3.796 50 0 HHAAMO CCCC[N@@H+](CC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840659 569150960 /nfs/dbraw/zinc/15/09/60/569150960.db2.gz SRJZJXPSOYAKBT-UHFFFAOYSA-N 1 1 418.607 3.735 50 0 aggregator HHAAMO O=C(Cc1cn2ccsc2n1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000036390780 569166034 /nfs/dbraw/zinc/16/60/34/569166034.db2.gz TWUPKFQEWUXEFE-IBGZPJMESA-N 1 1 422.579 3.916 50 0 HHAAMO O=C(Cc1cn2ccsc2n1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000036390780 569166035 /nfs/dbraw/zinc/16/60/35/569166035.db2.gz TWUPKFQEWUXEFE-IBGZPJMESA-N 1 1 422.579 3.916 50 0 HHAAMO CC(=O)NCCc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000036390797 569166071 /nfs/dbraw/zinc/16/60/71/569166071.db2.gz DLDHPFSZNGYPSW-LJQANCHMSA-N 1 1 407.558 3.670 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006887517 569170821 /nfs/dbraw/zinc/17/08/21/569170821.db2.gz YILSNQZTXUEWLG-UHFFFAOYSA-N 1 1 419.547 3.595 50 0 HHAAMO CC[C@H](C)[C@@H]1Nc2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919976 569181757 /nfs/dbraw/zinc/18/17/57/569181757.db2.gz BJAZSKMNNHULRK-KKSFZXQISA-N 1 1 400.567 3.850 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171689 569190324 /nfs/dbraw/zinc/19/03/24/569190324.db2.gz FCOHRAVIGRMENF-NRFANRHFSA-N 1 1 407.562 3.738 50 0 HHAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(C)c4)CC3)n2)cc1 ZINC000065184177 569191201 /nfs/dbraw/zinc/19/12/01/569191201.db2.gz MJFUGXHETKXTGK-UHFFFAOYSA-N 1 1 406.486 3.872 50 0 HHAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000065200051 569193634 /nfs/dbraw/zinc/19/36/34/569193634.db2.gz UVCPHWGRVAJRFP-UHFFFAOYSA-N 1 1 424.492 3.720 50 0 HHAAMO COc1cccc(-c2noc3nc(C)cc(C(=O)NC4C[C@H]5CC[C@@H](C4)[N@@H+]5C)c32)c1 ZINC000036619496 569210708 /nfs/dbraw/zinc/21/07/08/569210708.db2.gz JYAYIEHRMFQCAX-ALOPSCKCSA-N 1 1 406.486 3.562 50 0 HHAAMO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c12 ZINC000170613557 569246885 /nfs/dbraw/zinc/24/68/85/569246885.db2.gz MXVFHURRBLVQAD-IBGZPJMESA-N 1 1 422.529 3.676 50 0 HHAAMO [NH3+][C@H](C(=O)Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1ccccc1 ZINC000170673825 569297942 /nfs/dbraw/zinc/29/79/42/569297942.db2.gz MJULFQGSWHUCEO-FQEVSTJZSA-N 1 1 416.449 3.577 50 0 HHAAMO NC(=O)c1c(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000007788152 569310538 /nfs/dbraw/zinc/31/05/38/569310538.db2.gz ITGQWWUBVFAOFQ-UHFFFAOYSA-N 1 1 411.571 3.619 50 0 HHAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1 ZINC000078726164 569420052 /nfs/dbraw/zinc/42/00/52/569420052.db2.gz XXGZYUBTYBRIAQ-FQEVSTJZSA-N 1 1 406.530 3.558 50 0 HHAAMO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CCC2(C1)CCCCCC2 ZINC000079024429 569424557 /nfs/dbraw/zinc/42/45/57/569424557.db2.gz DPJXRJIYNUNUNA-AWEZNQCLSA-N 1 1 411.468 3.593 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000079046107 569425218 /nfs/dbraw/zinc/42/52/18/569425218.db2.gz SIXCHSTYCOPRDB-GCJKJVERSA-N 1 1 421.545 3.591 50 0 HHAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000079073950 569426934 /nfs/dbraw/zinc/42/69/34/569426934.db2.gz OPRCDQJHOLVEHX-OAQYLSRUSA-N 1 1 411.546 3.567 50 0 HHAAMO COCCn1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2cc(Cl)ccc21 ZINC000079192047 569429272 /nfs/dbraw/zinc/42/92/72/569429272.db2.gz IRHKNBAMMUEENP-QFBILLFUSA-N 1 1 403.954 3.935 50 0 biogenic HHAAMO O=C(Cn1ccc2c1cccc2Br)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192654 569429285 /nfs/dbraw/zinc/42/92/85/569429285.db2.gz UEZOFHYCHNURLZ-MAUKXSAKSA-N 1 1 404.352 3.785 50 0 biogenic HHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c(=O)c2C1 ZINC000067291769 571068299 /nfs/dbraw/zinc/06/82/99/571068299.db2.gz ABHXHRGNDWKGCQ-UHFFFAOYSA-N 1 1 406.939 3.643 50 0 HHAAMO CCCC[N@@H+](C)CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603951 571091150 /nfs/dbraw/zinc/09/11/50/571091150.db2.gz YUOLPNJJRZZPNX-UHFFFAOYSA-N 1 1 422.573 3.985 50 0 HHAAMO Cn1cc(/C=C/C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cn1 ZINC000040072319 571152740 /nfs/dbraw/zinc/15/27/40/571152740.db2.gz PQGFLMAJGCCWBP-VMPITWQZSA-N 1 1 410.518 3.645 50 0 HHAAMO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040103430 571163909 /nfs/dbraw/zinc/16/39/09/571163909.db2.gz XJLLNKMIHPANSR-IBGZPJMESA-N 1 1 414.937 3.573 50 0 HHAAMO O=C1CCCN1C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(C(F)(F)F)c1 ZINC000040119949 571176153 /nfs/dbraw/zinc/17/61/53/571176153.db2.gz UEXCYLHLUZGTGD-QGZVFWFLSA-N 1 1 406.404 3.887 50 0 HHAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000040121269 571177217 /nfs/dbraw/zinc/17/72/17/571177217.db2.gz GVFJKWVZCYIVRE-GJZGRUSLSA-N 1 1 402.564 3.829 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149651 571196987 /nfs/dbraw/zinc/19/69/87/571196987.db2.gz JHUJEIXNUPPYLQ-KBPBESRZSA-N 1 1 406.939 3.783 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149651 571196990 /nfs/dbraw/zinc/19/69/90/571196990.db2.gz JHUJEIXNUPPYLQ-KBPBESRZSA-N 1 1 406.939 3.783 50 0 HHAAMO C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000245261294 571221365 /nfs/dbraw/zinc/22/13/65/571221365.db2.gz FMYKLAAJFBPSHC-RTBURBONSA-N 1 1 424.589 3.647 50 0 HHAAMO CC[C@@H](C(=O)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1)c1ccccc1 ZINC000077159065 571311846 /nfs/dbraw/zinc/31/18/46/571311846.db2.gz DEEIQBFYYAAIFI-HSZRJFAPSA-N 1 1 402.542 3.888 50 0 HHAAMO COc1ccccc1[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033690009 571316273 /nfs/dbraw/zinc/31/62/73/571316273.db2.gz YOBAKVZRCNETJJ-LADGPHEKSA-N 1 1 421.504 3.621 50 0 HHAAMO C[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000011783224 962188824 /nfs/dbraw/zinc/18/88/24/962188824.db2.gz MFHYMMHOTKVIML-LJQANCHMSA-N 1 1 415.603 3.750 50 0 HHAAMO C[C@H](CNC(=O)CN1CCCCC1)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000011783224 962188829 /nfs/dbraw/zinc/18/88/29/962188829.db2.gz MFHYMMHOTKVIML-LJQANCHMSA-N 1 1 415.603 3.750 50 0 HHAAMO COc1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)c1OC ZINC000011815586 962197476 /nfs/dbraw/zinc/19/74/76/962197476.db2.gz HXTSTXIRLUJHFJ-GOSISDBHSA-N 1 1 414.521 3.870 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCCN(C=O)CC2)cc1F ZINC000011816939 962198052 /nfs/dbraw/zinc/19/80/52/962198052.db2.gz UPUUMFIAQYCYFK-UHFFFAOYSA-N 1 1 422.504 3.660 50 0 HHAAMO CC(C)(CO)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000011818841 962198143 /nfs/dbraw/zinc/19/81/43/962198143.db2.gz CULLEFBPLKGCDO-SFHVURJKSA-N 1 1 406.530 3.899 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012027889 962225213 /nfs/dbraw/zinc/22/52/13/962225213.db2.gz HAPBVQXNBMUOIG-MRXNPFEDSA-N 1 1 410.967 3.535 50 0 HHAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000012072556 962233415 /nfs/dbraw/zinc/23/34/15/962233415.db2.gz JMUUVSQBKAAQEE-OAQYLSRUSA-N 1 1 413.606 3.774 50 0 HHAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(CC(C)C)cc1)CC2)C(C)C ZINC000012244613 962257062 /nfs/dbraw/zinc/25/70/62/962257062.db2.gz KOZVLWJFDAFVRL-HSZRJFAPSA-N 1 1 411.594 3.758 50 0 HHAAMO 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/nfs/dbraw/zinc/72/10/75/970721075.db2.gz PULSXHHEZQTERA-HDICACEKSA-N 1 1 412.578 3.524 50 0 HHAAMO CC(C)Cc1nc2oc3c(ncnc3N3CC[NH+](C)CC3)c2c2c1COC(C)(C)C2 ZINC000002214507 132249572 /nfs/dbraw/zinc/24/95/72/132249572.db2.gz USZFVFGLVZMWMP-UHFFFAOYSA-N 1 1 409.534 3.573 50 0 HHAAMO CCN1C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000011193449 132347811 /nfs/dbraw/zinc/34/78/11/132347811.db2.gz SCBLXGYUBWEXPT-YJBOKZPZSA-N 1 1 419.472 3.834 50 0 HHAAMO CCN1C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000011193449 132347813 /nfs/dbraw/zinc/34/78/13/132347813.db2.gz SCBLXGYUBWEXPT-YJBOKZPZSA-N 1 1 419.472 3.834 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccc2)CC1 ZINC000012534080 132362093 /nfs/dbraw/zinc/36/20/93/132362093.db2.gz HEIGLKCAOCLBOE-IBGZPJMESA-N 1 1 420.582 3.825 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nc3ccccc3c(=O)n2Cc2ccccc2)C1 ZINC000023817432 519730307 /nfs/dbraw/zinc/73/03/07/519730307.db2.gz HAMQRFXQEGSFDN-FQEVSTJZSA-N 1 1 423.582 3.894 50 0 HHAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000032974109 522757991 /nfs/dbraw/zinc/75/79/91/522757991.db2.gz WTJDZGNEGPFSTQ-UHFFFAOYSA-N 1 1 407.558 3.567 50 0 HHAAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000032951960 524085408 /nfs/dbraw/zinc/08/54/08/524085408.db2.gz GJBOLYSBUUMRNF-HNNXBMFYSA-N 1 1 415.397 3.582 50 0 HHAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)cc1 ZINC000036385840 524457789 /nfs/dbraw/zinc/45/77/89/524457789.db2.gz NVXKYLORNKHLOC-RUZDIDTESA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)cc1 ZINC000036385840 524457796 /nfs/dbraw/zinc/45/77/96/524457796.db2.gz NVXKYLORNKHLOC-RUZDIDTESA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)cc1 ZINC000036385840 524457808 /nfs/dbraw/zinc/45/78/08/524457808.db2.gz NVXKYLORNKHLOC-RUZDIDTESA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1sc2ncn(CC(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)c2c1C 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BCAKANFFZBGSLU-HXOBKFHXSA-N 1 1 411.546 3.899 50 0 HHAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855508 557476973 /nfs/dbraw/zinc/47/69/73/557476973.db2.gz BCAKANFFZBGSLU-HXOBKFHXSA-N 1 1 411.546 3.899 50 0 HHAAMO COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C)C3 ZINC000004995673 557622502 /nfs/dbraw/zinc/62/25/02/557622502.db2.gz BXDITBIUDNRENE-HNNXBMFYSA-N 1 1 408.321 3.936 50 0 HHAAMO COc1ccc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C)C3 ZINC000004995673 557622504 /nfs/dbraw/zinc/62/25/04/557622504.db2.gz BXDITBIUDNRENE-HNNXBMFYSA-N 1 1 408.321 3.936 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000019745194 558265765 /nfs/dbraw/zinc/26/57/65/558265765.db2.gz DKURQUGGXSRWNA-QHCPKHFHSA-N 1 1 407.558 3.862 50 0 HHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3c(OC)cc(OC)cc3OC)C2)c1 ZINC000011816402 558279792 /nfs/dbraw/zinc/27/97/92/558279792.db2.gz GWAWKBFUYXZIJO-XMMPIXPASA-N 1 1 415.530 3.538 50 0 HHAAMO CCS(=O)(=O)c1ncc(C[N@H+](C)C(C2CC2)C2CC2)n1CCc1ccccc1 ZINC000011819659 558282948 /nfs/dbraw/zinc/28/29/48/558282948.db2.gz ORHHOYBOVKCORY-UHFFFAOYSA-N 1 1 401.576 3.540 50 0 HHAAMO CCS(=O)(=O)c1ncc(C[N@@H+](C)C(C2CC2)C2CC2)n1CCc1ccccc1 ZINC000011819659 558282949 /nfs/dbraw/zinc/28/29/49/558282949.db2.gz ORHHOYBOVKCORY-UHFFFAOYSA-N 1 1 401.576 3.540 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794687 558283920 /nfs/dbraw/zinc/28/39/20/558283920.db2.gz FXCBDRDNWHMBSG-HSZRJFAPSA-N 1 1 407.558 3.684 50 0 HHAAMO COc1ccccc1-c1ncc(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000019794923 558284367 /nfs/dbraw/zinc/28/43/67/558284367.db2.gz DDXALEVLCLWZBL-JOCHJYFZSA-N 1 1 414.553 3.874 50 0 HHAAMO COc1ccccc1-c1ncc(CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000019794923 558284368 /nfs/dbraw/zinc/28/43/68/558284368.db2.gz DDXALEVLCLWZBL-JOCHJYFZSA-N 1 1 414.553 3.874 50 0 HHAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 ZINC000011839568 558286177 /nfs/dbraw/zinc/28/61/77/558286177.db2.gz BUWZMFOVPMTYDW-RUZDIDTESA-N 1 1 408.590 3.991 50 0 HHAAMO O=C(CCCn1cncn1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011873869 558291463 /nfs/dbraw/zinc/29/14/63/558291463.db2.gz CCKZMARVMQPKHF-QFIPXVFZSA-N 1 1 424.593 3.527 50 0 HHAAMO COc1ccc(-c2csc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000019920567 558307171 /nfs/dbraw/zinc/30/71/71/558307171.db2.gz GDJLUHHMDSITNZ-UHFFFAOYSA-N 1 1 409.511 3.870 50 0 aggregator HHAAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1C ZINC000012038245 558312412 /nfs/dbraw/zinc/31/24/12/558312412.db2.gz HFCKGTUTHVCGGL-RTWAWAEBSA-N 1 1 402.535 3.632 50 0 HHAAMO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000012041430 558313077 /nfs/dbraw/zinc/31/30/77/558313077.db2.gz SDWAQYPBSRLGDL-LJQANCHMSA-N 1 1 414.496 3.934 50 0 HHAAMO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C[C@H](c1cccnc1)N1CCCCC1 ZINC000012056828 558316080 /nfs/dbraw/zinc/31/60/80/558316080.db2.gz CDJVABFBWVRXFK-LADGPHEKSA-N 1 1 424.564 3.919 50 0 HHAAMO O=C(NCCc1ccco1)C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1 ZINC000012076748 558320135 /nfs/dbraw/zinc/32/01/35/558320135.db2.gz IAXZVGJYUMQEDB-UHFFFAOYSA-N 1 1 423.601 3.748 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117835 558336651 /nfs/dbraw/zinc/33/66/51/558336651.db2.gz QLFGVQRIYTUAGX-QHCPKHFHSA-N 1 1 407.558 3.568 50 0 HHAAMO COC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117835 558336654 /nfs/dbraw/zinc/33/66/54/558336654.db2.gz QLFGVQRIYTUAGX-QHCPKHFHSA-N 1 1 407.558 3.568 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3ccncc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000020353697 558357086 /nfs/dbraw/zinc/35/70/86/558357086.db2.gz BQIHHMHAOWXNLN-GOSISDBHSA-N 1 1 404.297 3.900 50 0 HHAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1C ZINC000020395094 558359699 /nfs/dbraw/zinc/35/96/99/558359699.db2.gz GYQZIHBOIFLWGH-UHFFFAOYSA-N 1 1 403.526 3.971 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 ZINC000012245355 558361533 /nfs/dbraw/zinc/36/15/33/558361533.db2.gz RYRMZYLGUDNAFM-CQSZACIVSA-N 1 1 407.436 3.556 50 0 HHAAMO CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NC[C@H]2CCC[N@@H+]2CC)C1=O ZINC000020518239 558383522 /nfs/dbraw/zinc/38/35/22/558383522.db2.gz VLSUTUTZNVHOCL-ACXJOVJBSA-N 1 1 403.526 3.851 50 0 HHAAMO CC[N@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012387485 558396493 /nfs/dbraw/zinc/39/64/93/558396493.db2.gz NQWJUTVKELRZBZ-QHCPKHFHSA-N 1 1 414.565 3.973 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)cc1 ZINC000020781668 558412922 /nfs/dbraw/zinc/41/29/22/558412922.db2.gz XOHCTIZHLXLAPZ-QFIPXVFZSA-N 1 1 424.976 3.903 50 0 HHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 ZINC000012457999 558417944 /nfs/dbraw/zinc/41/79/44/558417944.db2.gz UZCVJDZDRUYTBU-HXUWFJFHSA-N 1 1 414.546 3.851 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012478008 558423080 /nfs/dbraw/zinc/42/30/80/558423080.db2.gz OHCIHOOLJBDJLM-MRXNPFEDSA-N 1 1 424.467 3.760 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012478008 558423081 /nfs/dbraw/zinc/42/30/81/558423081.db2.gz OHCIHOOLJBDJLM-MRXNPFEDSA-N 1 1 424.467 3.760 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)cc1 ZINC000020998151 558427530 /nfs/dbraw/zinc/42/75/30/558427530.db2.gz DYZUQNYFBBZWBS-QHCPKHFHSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)cc1 ZINC000020998151 558427533 /nfs/dbraw/zinc/42/75/33/558427533.db2.gz DYZUQNYFBBZWBS-QHCPKHFHSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)cc1 ZINC000020998151 558427534 /nfs/dbraw/zinc/42/75/34/558427534.db2.gz DYZUQNYFBBZWBS-QHCPKHFHSA-N 1 1 405.542 3.702 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](COC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000072015845 558429101 /nfs/dbraw/zinc/42/91/01/558429101.db2.gz PKYQEWRLPTUHMQ-HDFUYHJRSA-N 1 1 410.514 3.574 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)sc2C1 ZINC000021295432 558435051 /nfs/dbraw/zinc/43/50/51/558435051.db2.gz SVVWNVPFPZTAQX-UHFFFAOYSA-N 1 1 410.547 3.976 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)sc2C1 ZINC000021295432 558435054 /nfs/dbraw/zinc/43/50/54/558435054.db2.gz SVVWNVPFPZTAQX-UHFFFAOYSA-N 1 1 410.547 3.976 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 ZINC000012612205 558438652 /nfs/dbraw/zinc/43/86/52/558438652.db2.gz ZAJVSQQCVRSNIM-LJQANCHMSA-N 1 1 402.432 3.991 50 0 HHAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805332 558450327 /nfs/dbraw/zinc/45/03/27/558450327.db2.gz XZSYABUHAYOIII-GOSISDBHSA-N 1 1 423.469 3.663 50 0 HHAAMO COCCN(Cc1ccc2nonc2c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012762730 558461486 /nfs/dbraw/zinc/46/14/86/558461486.db2.gz FSNYSBYOQHDANV-FQEVSTJZSA-N 1 1 420.557 3.551 50 0 HHAAMO COc1cc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000012790160 558464875 /nfs/dbraw/zinc/46/48/75/558464875.db2.gz SKJSOODHJJNBEF-ZIAGYGMSSA-N 1 1 419.547 3.899 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc(Br)c1 ZINC000012988043 558496063 /nfs/dbraw/zinc/49/60/63/558496063.db2.gz VHZQFXDWJBVJJB-UHFFFAOYSA-N 1 1 422.367 3.502 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Br)c1 ZINC000012995248 558498413 /nfs/dbraw/zinc/49/84/13/558498413.db2.gz VPNICMCLKMAGRS-HNNXBMFYSA-N 1 1 416.319 3.738 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Br)c1 ZINC000012995248 558498417 /nfs/dbraw/zinc/49/84/17/558498417.db2.gz VPNICMCLKMAGRS-HNNXBMFYSA-N 1 1 416.319 3.738 50 0 HHAAMO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000022611072 558501961 /nfs/dbraw/zinc/50/19/61/558501961.db2.gz YURHEVHFTGFZEI-UHFFFAOYSA-N 1 1 411.933 3.815 50 0 HHAAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000013040287 558506826 /nfs/dbraw/zinc/50/68/26/558506826.db2.gz ABNHTODUCSWQCW-UHFFFAOYSA-N 1 1 417.435 3.919 50 0 HHAAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000013040287 558506829 /nfs/dbraw/zinc/50/68/29/558506829.db2.gz ABNHTODUCSWQCW-UHFFFAOYSA-N 1 1 417.435 3.919 50 0 HHAAMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022788942 558511658 /nfs/dbraw/zinc/51/16/58/558511658.db2.gz UIFCQKAFIQCNEA-OAHLLOKOSA-N 1 1 416.447 3.821 50 0 HHAAMO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000013595275 558546960 /nfs/dbraw/zinc/54/69/60/558546960.db2.gz CAKGVKYJXZPHAI-QGZVFWFLSA-N 1 1 410.440 3.560 50 0 HHAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000013595275 558546962 /nfs/dbraw/zinc/54/69/62/558546962.db2.gz CAKGVKYJXZPHAI-QGZVFWFLSA-N 1 1 410.440 3.560 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)c1 ZINC000013636615 558554351 /nfs/dbraw/zinc/55/43/51/558554351.db2.gz ILOTUFMCVUSVBQ-IBGZPJMESA-N 1 1 408.542 3.939 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374862 558554514 /nfs/dbraw/zinc/55/45/14/558554514.db2.gz YUOIRBBLTKYSQJ-QHCPKHFHSA-N 1 1 404.558 3.762 50 0 HHAAMO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000023505553 558560164 /nfs/dbraw/zinc/56/01/64/558560164.db2.gz XOBGPSQLSVWLLV-HSZRJFAPSA-N 1 1 419.569 3.588 50 0 HHAAMO C[C@@H](NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000023864644 558578120 /nfs/dbraw/zinc/57/81/20/558578120.db2.gz XMLFUJAZCGPYJP-HXUWFJFHSA-N 1 1 403.526 3.864 50 0 HHAAMO Cc1nc(SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n(C2CCCCC2)c1C ZINC000024115567 558589959 /nfs/dbraw/zinc/58/99/59/558589959.db2.gz CVOWZLFLCVAFAT-HXUWFJFHSA-N 1 1 422.639 3.570 50 0 HHAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000014183374 558629242 /nfs/dbraw/zinc/62/92/42/558629242.db2.gz DTRUHFQJCUOZOX-LJQANCHMSA-N 1 1 408.951 3.854 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C[C@H](C)O1 ZINC000025162436 558633303 /nfs/dbraw/zinc/63/33/03/558633303.db2.gz FFHMFSFPIVSAFE-HDICACEKSA-N 1 1 406.530 3.643 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C[C@H](C)O1 ZINC000025162436 558633305 /nfs/dbraw/zinc/63/33/05/558633305.db2.gz FFHMFSFPIVSAFE-HDICACEKSA-N 1 1 406.530 3.643 50 0 HHAAMO C[NH+]1CCN(C(=S)NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000025196117 558634388 /nfs/dbraw/zinc/63/43/88/558634388.db2.gz RQVBETOLMDAEIV-UHFFFAOYSA-N 1 1 424.957 3.817 50 0 HHAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000014531845 558656419 /nfs/dbraw/zinc/65/64/19/558656419.db2.gz OHYBQFRJUFKKAJ-VQTJNVASSA-N 1 1 411.521 3.819 50 0 HHAAMO O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccn2-c2nccs2)C1 ZINC000014882317 558676358 /nfs/dbraw/zinc/67/63/58/558676358.db2.gz FMDUDKZJMSTGMQ-IRLDBZIGSA-N 1 1 420.582 3.989 50 0 HHAAMO O=C1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccncc1 ZINC000014882802 558676722 /nfs/dbraw/zinc/67/67/22/558676722.db2.gz VBDROGSSUSDDDS-UHFFFAOYSA-N 1 1 401.510 3.895 50 0 HHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4cccc5nonc54)C3)C2)c1 ZINC000014955561 558682181 /nfs/dbraw/zinc/68/21/81/558682181.db2.gz AIICRLOWZVFDHU-QHCPKHFHSA-N 1 1 410.493 3.859 50 0 HHAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000014965771 558685655 /nfs/dbraw/zinc/68/56/55/558685655.db2.gz WHOYUNDZARWAFD-LJQANCHMSA-N 1 1 406.640 3.859 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000014965771 558685658 /nfs/dbraw/zinc/68/56/58/558685658.db2.gz WHOYUNDZARWAFD-LJQANCHMSA-N 1 1 406.640 3.859 50 0 HHAAMO CCn1cc(C[N@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 ZINC000014966575 558685831 /nfs/dbraw/zinc/68/58/31/558685831.db2.gz NYZRZCHSOKSAFF-QGZVFWFLSA-N 1 1 400.954 3.616 50 0 HHAAMO C[N@H+](Cc1cccs1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000014982569 558692217 /nfs/dbraw/zinc/69/22/17/558692217.db2.gz KKLGNUAQYDDKFB-UHFFFAOYSA-N 1 1 411.571 3.623 50 0 HHAAMO C[N@@H+](Cc1cccs1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000014982569 558692220 /nfs/dbraw/zinc/69/22/20/558692220.db2.gz KKLGNUAQYDDKFB-UHFFFAOYSA-N 1 1 411.571 3.623 50 0 HHAAMO C[N@@H+](Cc1nccs1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014994043 558695571 /nfs/dbraw/zinc/69/55/71/558695571.db2.gz OPXAKUSZEIJUBQ-CQSZACIVSA-N 1 1 407.923 3.538 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCCC2)cc1 ZINC000028290354 558696732 /nfs/dbraw/zinc/69/67/32/558696732.db2.gz IXOAKVDBNLMGFF-NRFANRHFSA-N 1 1 420.509 3.985 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028291751 558697875 /nfs/dbraw/zinc/69/78/75/558697875.db2.gz RQSVPRWIOOTQMZ-HXUWFJFHSA-N 1 1 406.482 3.677 50 0 HHAAMO COc1ccc(NC(=O)[C@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000028622111 558702567 /nfs/dbraw/zinc/70/25/67/558702567.db2.gz PJIAXZUNIMPEAZ-NZQKXSOJSA-N 1 1 404.466 3.805 50 0 HHAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000015063182 558705877 /nfs/dbraw/zinc/70/58/77/558705877.db2.gz QWQWQAZGRVJQCL-HXUWFJFHSA-N 1 1 411.933 3.861 50 0 HHAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000015063182 558705880 /nfs/dbraw/zinc/70/58/80/558705880.db2.gz QWQWQAZGRVJQCL-HXUWFJFHSA-N 1 1 411.933 3.861 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000015063598 558706132 /nfs/dbraw/zinc/70/61/32/558706132.db2.gz MLRWHIWOXVKHMI-DEOSSOPVSA-N 1 1 412.505 3.977 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015067247 558710199 /nfs/dbraw/zinc/71/01/99/558710199.db2.gz ABLSGFLPCIFIAL-PRGQWFPMSA-N 1 1 411.590 3.942 50 0 HHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000015068835 558711185 /nfs/dbraw/zinc/71/11/85/558711185.db2.gz VXVMWRDRPMYTAV-QFIPXVFZSA-N 1 1 415.559 3.813 50 0 HHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000015068835 558711188 /nfs/dbraw/zinc/71/11/88/558711188.db2.gz VXVMWRDRPMYTAV-QFIPXVFZSA-N 1 1 415.559 3.813 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 ZINC000015075189 558715814 /nfs/dbraw/zinc/71/58/14/558715814.db2.gz WHZHYAIEOJYVFB-HNNXBMFYSA-N 1 1 412.481 3.584 50 0 HHAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1 ZINC000022937319 558724378 /nfs/dbraw/zinc/72/43/78/558724378.db2.gz JBTNZYVCFJPMRH-UHFFFAOYSA-N 1 1 412.603 3.590 50 0 HHAAMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000030499589 558731016 /nfs/dbraw/zinc/73/10/16/558731016.db2.gz KBRPGMWBWZVZBN-HNNXBMFYSA-N 1 1 406.857 3.940 50 0 HHAAMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000030499585 558731038 /nfs/dbraw/zinc/73/10/38/558731038.db2.gz KBRPGMWBWZVZBN-OAHLLOKOSA-N 1 1 406.857 3.940 50 0 HHAAMO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000015566157 558744277 /nfs/dbraw/zinc/74/42/77/558744277.db2.gz RSXZBXQBRWTSLD-UHFFFAOYSA-N 1 1 423.513 3.500 50 0 HHAAMO C[C@@H](NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccc(F)cc1 ZINC000030955685 558747279 /nfs/dbraw/zinc/74/72/79/558747279.db2.gz OOVIYZSAXJPQPK-MRXNPFEDSA-N 1 1 408.477 3.965 50 0 HHAAMO Cc1cc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2cc1Cl ZINC000015859936 558757578 /nfs/dbraw/zinc/75/75/78/558757578.db2.gz HXXOBENCGFUKDA-MRXNPFEDSA-N 1 1 400.862 3.915 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016039031 558769913 /nfs/dbraw/zinc/76/99/13/558769913.db2.gz SICGWSNMIAYXEI-BQJUDKOJSA-N 1 1 418.468 3.956 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016039031 558769916 /nfs/dbraw/zinc/76/99/16/558769916.db2.gz SICGWSNMIAYXEI-BQJUDKOJSA-N 1 1 418.468 3.956 50 0 HHAAMO COc1ccc([C@H](CNS(=O)(=O)c2cc(C)ccc2C)[NH+]2CCCCC2)cc1 ZINC000016084735 558771140 /nfs/dbraw/zinc/77/11/40/558771140.db2.gz VJPAVARAWBIUOM-NRFANRHFSA-N 1 1 402.560 3.818 50 0 HHAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031934 558796807 /nfs/dbraw/zinc/79/68/07/558796807.db2.gz DBBZNOMZHYKVEQ-HXUWFJFHSA-N 1 1 409.457 3.997 50 0 HHAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031934 558796808 /nfs/dbraw/zinc/79/68/08/558796808.db2.gz DBBZNOMZHYKVEQ-HXUWFJFHSA-N 1 1 409.457 3.997 50 0 HHAAMO CCOc1ccc(CC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000018217914 558833809 /nfs/dbraw/zinc/83/38/09/558833809.db2.gz UAHRFNAPEDKLCH-JOCHJYFZSA-N 1 1 410.489 3.811 50 0 HHAAMO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)c(C)c1C ZINC000033024417 558841819 /nfs/dbraw/zinc/84/18/19/558841819.db2.gz YDPPWTPUFTZAPV-QGZVFWFLSA-N 1 1 416.610 3.563 50 0 HHAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 ZINC000019147131 558846784 /nfs/dbraw/zinc/84/67/84/558846784.db2.gz DDXUCNKGWNDEKK-SFHVURJKSA-N 1 1 421.566 3.943 50 0 HHAAMO O=C(c1c[nH]c2ccccc12)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000019146972 558846857 /nfs/dbraw/zinc/84/68/57/558846857.db2.gz QZKCIDSHXXKUOZ-SFHVURJKSA-N 1 1 406.505 3.734 50 0 HHAAMO COc1ccc(-c2cc3ccc(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3oc2=O)cc1 ZINC000013607647 558847502 /nfs/dbraw/zinc/84/75/02/558847502.db2.gz KHQNIAKOOPMYBW-CALCHBBNSA-N 1 1 409.482 3.957 50 0 HHAAMO COc1ccc(-c2cc3ccc(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3oc2=O)cc1 ZINC000013607647 558847505 /nfs/dbraw/zinc/84/75/05/558847505.db2.gz KHQNIAKOOPMYBW-CALCHBBNSA-N 1 1 409.482 3.957 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000019227452 558852862 /nfs/dbraw/zinc/85/28/62/558852862.db2.gz KJXIYCQUVRFHFE-UHFFFAOYSA-N 1 1 413.905 3.524 50 0 HHAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1ccccc1CC2 ZINC000019338452 558870889 /nfs/dbraw/zinc/87/08/89/558870889.db2.gz ZVWHBOUJAFWVEB-UHFFFAOYSA-N 1 1 423.513 3.741 50 0 biogenic HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(C(F)(F)F)cc2)N1)OCCCO4 ZINC000019354066 558875461 /nfs/dbraw/zinc/87/54/61/558875461.db2.gz QQASYOOAIWGHJB-MRXNPFEDSA-N 1 1 403.364 3.504 50 0 HHAAMO C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019360045 558876105 /nfs/dbraw/zinc/87/61/05/558876105.db2.gz DKNZEPCGVGRZTN-IBGZPJMESA-N 1 1 400.588 3.952 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000033135970 558888348 /nfs/dbraw/zinc/88/83/48/558888348.db2.gz KBXATALWVVWXFZ-HXUWFJFHSA-N 1 1 405.464 3.814 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000033135970 558888350 /nfs/dbraw/zinc/88/83/50/558888350.db2.gz KBXATALWVVWXFZ-HXUWFJFHSA-N 1 1 405.464 3.814 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000033135970 558888352 /nfs/dbraw/zinc/88/83/52/558888352.db2.gz KBXATALWVVWXFZ-HXUWFJFHSA-N 1 1 405.464 3.814 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCCCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058167073 558907362 /nfs/dbraw/zinc/90/73/62/558907362.db2.gz HSRYRNCPZDOBJJ-IBGZPJMESA-N 1 1 405.926 3.777 50 0 HHAAMO COc1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc(Br)c1O ZINC000019537697 558914040 /nfs/dbraw/zinc/91/40/40/558914040.db2.gz GYBQRIHTMWXSBQ-VMPITWQZSA-N 1 1 417.347 3.994 50 0 HHAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000059935892 558940132 /nfs/dbraw/zinc/94/01/32/558940132.db2.gz ZNYCHKYEJFKGIP-IBGZPJMESA-N 1 1 415.921 3.586 50 0 HHAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000059935892 558940134 /nfs/dbraw/zinc/94/01/34/558940134.db2.gz ZNYCHKYEJFKGIP-IBGZPJMESA-N 1 1 415.921 3.586 50 0 HHAAMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000019595388 558946131 /nfs/dbraw/zinc/94/61/31/558946131.db2.gz ITWSFRNMQXVAFO-HXUWFJFHSA-N 1 1 413.587 3.567 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635740 558947411 /nfs/dbraw/zinc/94/74/11/558947411.db2.gz WVJCNWGHJGBCLF-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635740 558947416 /nfs/dbraw/zinc/94/74/16/558947416.db2.gz WVJCNWGHJGBCLF-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072463375 558983283 /nfs/dbraw/zinc/98/32/83/558983283.db2.gz BRGQTNGSKMHTKL-MOPGFXCFSA-N 1 1 419.456 3.623 50 0 HHAAMO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264388 558984374 /nfs/dbraw/zinc/98/43/74/558984374.db2.gz BKOBBYMKNYHCKH-UGKGYDQZSA-N 1 1 414.594 3.588 50 0 HHAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000067601764 558987494 /nfs/dbraw/zinc/98/74/94/558987494.db2.gz ZNEXQXKSBYRJEC-UHFFFAOYSA-N 1 1 401.514 3.501 50 0 HHAAMO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2)c1 ZINC000067629566 558990238 /nfs/dbraw/zinc/99/02/38/558990238.db2.gz MWUMUDSFDKTTAU-UHFFFAOYSA-N 1 1 406.574 3.598 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)C(C)C)CC1 ZINC000023181683 559031503 /nfs/dbraw/zinc/03/15/03/559031503.db2.gz AGRGHJOZAUWQAS-DYESRHJHSA-N 1 1 401.576 3.781 50 0 HHAAMO CCCC1(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CCC1 ZINC000082097451 559037772 /nfs/dbraw/zinc/03/77/72/559037772.db2.gz CQHFJSHXNVEJPR-QFIPXVFZSA-N 1 1 412.622 3.845 50 0 HHAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000033282015 559044962 /nfs/dbraw/zinc/04/49/62/559044962.db2.gz WULUTBPKWCMRJM-UHFFFAOYSA-N 1 1 412.925 3.551 50 0 HHAAMO COc1ccccc1-c1ncc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)s1 ZINC000092062269 559075475 /nfs/dbraw/zinc/07/54/75/559075475.db2.gz BHMDYVPSPWEJHV-ZHRRBRCNSA-N 1 1 402.560 3.818 50 0 HHAAMO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199324 559189817 /nfs/dbraw/zinc/18/98/17/559189817.db2.gz ZRBXXIDEDYNXKB-NZCWTCFWSA-N 1 1 406.570 3.976 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011950599 559268972 /nfs/dbraw/zinc/26/89/72/559268972.db2.gz USENGLFJZIJEIU-OAQYLSRUSA-N 1 1 416.562 3.891 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011950599 559268974 /nfs/dbraw/zinc/26/89/74/559268974.db2.gz USENGLFJZIJEIU-OAQYLSRUSA-N 1 1 416.562 3.891 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000248220410 559269050 /nfs/dbraw/zinc/26/90/50/559269050.db2.gz HOGDXWPASSFKCX-KQSXWVITSA-N 1 1 410.602 3.998 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000248220407 559269084 /nfs/dbraw/zinc/26/90/84/559269084.db2.gz HOGDXWPASSFKCX-AVDSPKTLSA-N 1 1 410.602 3.998 50 0 HHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000005191302 559291462 /nfs/dbraw/zinc/29/14/62/559291462.db2.gz MXZRQEMMXKJTMZ-UHFFFAOYSA-N 1 1 403.573 3.654 50 0 HHAAMO CC[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000005191302 559291463 /nfs/dbraw/zinc/29/14/63/559291463.db2.gz MXZRQEMMXKJTMZ-UHFFFAOYSA-N 1 1 403.573 3.654 50 0 HHAAMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1ccccc1 ZINC000062581691 560632120 /nfs/dbraw/zinc/63/21/20/560632120.db2.gz KAUPUKPOTPWJMV-UHFFFAOYSA-N 1 1 411.571 3.726 50 0 HHAAMO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008900122 560640213 /nfs/dbraw/zinc/64/02/13/560640213.db2.gz UOPDOHCIAMCAPZ-OAHLLOKOSA-N 1 1 400.953 3.526 50 0 HHAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000015953527 560650470 /nfs/dbraw/zinc/65/04/70/560650470.db2.gz WFGJVOCYYVXZNG-GVXSCFBNSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC000015953527 560650471 /nfs/dbraw/zinc/65/04/71/560650471.db2.gz WFGJVOCYYVXZNG-GVXSCFBNSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000017724662 560724215 /nfs/dbraw/zinc/72/42/15/560724215.db2.gz ZDNXZGYMXMNADE-FGCOXFRFSA-N 1 1 412.530 3.663 50 0 biogenic HHAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000017724662 560724216 /nfs/dbraw/zinc/72/42/16/560724216.db2.gz ZDNXZGYMXMNADE-FGCOXFRFSA-N 1 1 412.530 3.663 50 0 biogenic HHAAMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000221705225 560836020 /nfs/dbraw/zinc/83/60/20/560836020.db2.gz PKYQEWRLPTUHMQ-JXOZOUPFSA-N 1 1 410.514 3.574 50 0 HHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984266 560858913 /nfs/dbraw/zinc/85/89/13/560858913.db2.gz CNYLQCZEJARFTE-FGZHOGPDSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984266 560858914 /nfs/dbraw/zinc/85/89/14/560858914.db2.gz CNYLQCZEJARFTE-FGZHOGPDSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984307 560858959 /nfs/dbraw/zinc/85/89/59/560858959.db2.gz SUEWZKUMSAHMSS-XZOQPEGZSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153773 560885011 /nfs/dbraw/zinc/88/50/11/560885011.db2.gz XZLBYMVSKBWMMD-JTDSTZFVSA-N 1 1 416.484 3.516 50 0 HHAAMO CC(C)[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153773 560885013 /nfs/dbraw/zinc/88/50/13/560885013.db2.gz XZLBYMVSKBWMMD-JTDSTZFVSA-N 1 1 416.484 3.516 50 0 HHAAMO Cc1cc(CSc2ncccc2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000047417224 560886766 /nfs/dbraw/zinc/88/67/66/560886766.db2.gz BZZQZBSAQVAKDN-IYBDPMFKSA-N 1 1 402.564 3.768 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000106309357 560889752 /nfs/dbraw/zinc/88/97/52/560889752.db2.gz LTNFSNGXIZXJMD-UNMCSNQZSA-N 1 1 421.589 3.741 50 0 HHAAMO CC1(C)CC(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000025182997 560891263 /nfs/dbraw/zinc/89/12/63/560891263.db2.gz PARVMIRRIFXZSE-JOCHJYFZSA-N 1 1 402.538 3.878 50 0 HHAAMO CC1(C)CC(=O)C2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)C1 ZINC000025182997 560891265 /nfs/dbraw/zinc/89/12/65/560891265.db2.gz PARVMIRRIFXZSE-JOCHJYFZSA-N 1 1 402.538 3.878 50 0 HHAAMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032421 568424678 /nfs/dbraw/zinc/42/46/78/568424678.db2.gz ZUWDSOLQQFHULI-UHFFFAOYSA-N 1 1 406.511 3.849 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CN(C)C(=O)c3cccs3)cc2)C1 ZINC000048311218 568436918 /nfs/dbraw/zinc/43/69/18/568436918.db2.gz GDHYMUCVQGRVMM-HDICACEKSA-N 1 1 413.587 3.614 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccc(C)c(C)c3)cc2)CC1 ZINC000048302245 568437720 /nfs/dbraw/zinc/43/77/20/568437720.db2.gz UFQYZYUXBKFUHX-UHFFFAOYSA-N 1 1 409.574 3.526 50 0 HHAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)cc1OC ZINC000048346073 568441059 /nfs/dbraw/zinc/44/10/59/568441059.db2.gz JBRWXJSVRWCVTD-UHFFFAOYSA-N 1 1 422.312 3.959 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000048358590 568441232 /nfs/dbraw/zinc/44/12/32/568441232.db2.gz HSFNJGPPYOIWNI-KBPBESRZSA-N 1 1 407.308 3.581 50 0 HHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000024842598 568470751 /nfs/dbraw/zinc/47/07/51/568470751.db2.gz DLUPGZIKQDUUBE-ZIAGYGMSSA-N 1 1 420.966 3.643 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965915 568488097 /nfs/dbraw/zinc/48/80/97/568488097.db2.gz UOPYWSHBHCOWHB-XMMPIXPASA-N 1 1 412.578 3.969 50 0 HHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965915 568488098 /nfs/dbraw/zinc/48/80/98/568488098.db2.gz UOPYWSHBHCOWHB-XMMPIXPASA-N 1 1 412.578 3.969 50 0 HHAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965915 568488100 /nfs/dbraw/zinc/48/81/00/568488100.db2.gz UOPYWSHBHCOWHB-XMMPIXPASA-N 1 1 412.578 3.969 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000008271995 568494122 /nfs/dbraw/zinc/49/41/22/568494122.db2.gz GEQBTJPUQPWQPZ-LJQANCHMSA-N 1 1 409.486 3.560 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C ZINC000008271995 568494123 /nfs/dbraw/zinc/49/41/23/568494123.db2.gz GEQBTJPUQPWQPZ-LJQANCHMSA-N 1 1 409.486 3.560 50 0 HHAAMO C[C@@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288699 568597859 /nfs/dbraw/zinc/59/78/59/568597859.db2.gz CXPFBDGNSOFFAZ-XXBNENTESA-N 1 1 420.582 3.821 50 0 HHAAMO F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000095369281 568602311 /nfs/dbraw/zinc/60/23/11/568602311.db2.gz LCGNCAYAIHHGEW-OAHLLOKOSA-N 1 1 408.346 3.776 50 0 HHAAMO CCN1CCN(c2cc(C[NH2+][C@@H](C)c3ccc(Br)cc3)ccn2)CC1 ZINC000095407531 568606348 /nfs/dbraw/zinc/60/63/48/568606348.db2.gz CUWYQBCWIDQGFL-INIZCTEOSA-N 1 1 403.368 3.837 50 0 HHAAMO CC[N@@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC)C1CC1 ZINC000095432818 568609389 /nfs/dbraw/zinc/60/93/89/568609389.db2.gz DYHBLLSLLGBYCP-NRFANRHFSA-N 1 1 421.541 3.918 50 0 HHAAMO O=C(O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc(N2CCOC2=O)cc1 ZINC000095456238 568617574 /nfs/dbraw/zinc/61/75/74/568617574.db2.gz IUMUVYNNMSSCBX-JOCHJYFZSA-N 1 1 406.482 3.563 50 0 HHAAMO O=C(O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc(N2CCOC2=O)cc1 ZINC000095456239 568617600 /nfs/dbraw/zinc/61/76/00/568617600.db2.gz IUMUVYNNMSSCBX-QFIPXVFZSA-N 1 1 406.482 3.563 50 0 HHAAMO O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000040157059 568626539 /nfs/dbraw/zinc/62/65/39/568626539.db2.gz PQUKHFULSQDRSG-UHFFFAOYSA-N 1 1 421.566 3.790 50 0 HHAAMO Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)cc1C ZINC000021171989 568676527 /nfs/dbraw/zinc/67/65/27/568676527.db2.gz XQBWFVFHGKCYLX-HXUWFJFHSA-N 1 1 418.541 3.506 50 0 HHAAMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420341 568720385 /nfs/dbraw/zinc/72/03/85/568720385.db2.gz MTDASFVQYTWGOX-WCQYABFASA-N 1 1 407.146 3.683 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039146 568747838 /nfs/dbraw/zinc/74/78/38/568747838.db2.gz LUVQQXIOUOEDLW-HNNXBMFYSA-N 1 1 405.901 3.775 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039146 568747839 /nfs/dbraw/zinc/74/78/39/568747839.db2.gz LUVQQXIOUOEDLW-HNNXBMFYSA-N 1 1 405.901 3.775 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039141 568748074 /nfs/dbraw/zinc/74/80/74/568748074.db2.gz REOVTUUOYPDTGE-KRWDZBQOSA-N 1 1 401.938 3.944 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039141 568748075 /nfs/dbraw/zinc/74/80/75/568748075.db2.gz REOVTUUOYPDTGE-KRWDZBQOSA-N 1 1 401.938 3.944 50 0 HHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000021794478 568753476 /nfs/dbraw/zinc/75/34/76/568753476.db2.gz RXXLCAAOVCPBGC-UHFFFAOYSA-N 1 1 407.449 3.757 50 0 HHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460513 568768544 /nfs/dbraw/zinc/76/85/44/568768544.db2.gz GKAZMXGMTVNCOJ-DNVCBOLYSA-N 1 1 406.596 3.941 50 0 HHAAMO CC[C@H](C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1Cc2ccccc2C1=O ZINC000299754339 568782254 /nfs/dbraw/zinc/78/22/54/568782254.db2.gz BGJGYRYEEYYBGW-UZVYXBEXSA-N 1 1 411.590 3.780 50 0 HHAAMO CC[C@H](c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)[NH+](C)C ZINC000002623396 568788529 /nfs/dbraw/zinc/78/85/29/568788529.db2.gz AVLNBITYSNSDNT-CQSZACIVSA-N 1 1 417.362 3.840 50 0 HHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000057286175 568825932 /nfs/dbraw/zinc/82/59/32/568825932.db2.gz RKSWCZTZVKFIHM-QHCPKHFHSA-N 1 1 407.539 3.902 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478403 568839783 /nfs/dbraw/zinc/83/97/83/568839783.db2.gz QQPDXCMNKSVIEC-QFIPXVFZSA-N 1 1 407.514 3.552 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478403 568839785 /nfs/dbraw/zinc/83/97/85/568839785.db2.gz QQPDXCMNKSVIEC-QFIPXVFZSA-N 1 1 407.514 3.552 50 0 HHAAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1-c1cc(F)ccc1Cl ZINC000230206493 568854999 /nfs/dbraw/zinc/85/49/99/568854999.db2.gz BSRKOWKXVWEBEG-KXBFYZLASA-N 1 1 404.917 3.968 50 0 biogenic HHAAMO C[N@@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000030029355 568856644 /nfs/dbraw/zinc/85/66/44/568856644.db2.gz UQXXUZQUPXYOKE-GOSISDBHSA-N 1 1 402.420 3.570 50 0 HHAAMO C[N@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000030029355 568856647 /nfs/dbraw/zinc/85/66/47/568856647.db2.gz UQXXUZQUPXYOKE-GOSISDBHSA-N 1 1 402.420 3.570 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2c(Cl)cccc2Cl)N1)OCCCO4 ZINC000012601988 568870217 /nfs/dbraw/zinc/87/02/17/568870217.db2.gz QBRZNDYNHAQJHG-INIZCTEOSA-N 1 1 404.257 3.601 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1 ZINC000299788096 568875551 /nfs/dbraw/zinc/87/55/51/568875551.db2.gz WLBGGGVRGAWACH-PKTZIBPZSA-N 1 1 406.526 3.529 50 0 HHAAMO O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058029745 568878306 /nfs/dbraw/zinc/87/83/06/568878306.db2.gz BTTWHWMOTZPVJX-NRFANRHFSA-N 1 1 406.592 3.610 50 0 HHAAMO O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058029745 568878307 /nfs/dbraw/zinc/87/83/07/568878307.db2.gz BTTWHWMOTZPVJX-NRFANRHFSA-N 1 1 406.592 3.610 50 0 HHAAMO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000083888885 568922940 /nfs/dbraw/zinc/92/29/40/568922940.db2.gz FXBOEULKOMCLPR-HNNXBMFYSA-N 1 1 424.372 3.552 50 0 HHAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(OC)c1Br ZINC000012764354 568947706 /nfs/dbraw/zinc/94/77/06/568947706.db2.gz FEVJZKXELUWNBL-INIZCTEOSA-N 1 1 419.319 3.595 50 0 HHAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1Br ZINC000012764354 568947709 /nfs/dbraw/zinc/94/77/09/568947709.db2.gz FEVJZKXELUWNBL-INIZCTEOSA-N 1 1 419.319 3.595 50 0 HHAAMO Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)nn1 ZINC000230162228 568951322 /nfs/dbraw/zinc/95/13/22/568951322.db2.gz UYAZVZQXNBLBRO-NHCUHLMSSA-N 1 1 421.589 3.659 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000012779806 568956729 /nfs/dbraw/zinc/95/67/29/568956729.db2.gz VNXSNGKKAQYMCH-UHFFFAOYSA-N 1 1 422.298 3.796 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000012779806 568956730 /nfs/dbraw/zinc/95/67/30/568956730.db2.gz VNXSNGKKAQYMCH-UHFFFAOYSA-N 1 1 422.298 3.796 50 0 HHAAMO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315111 568961508 /nfs/dbraw/zinc/96/15/08/568961508.db2.gz VIQRTMNSLAPETN-UHFFFAOYSA-N 1 1 406.486 3.558 50 0 HHAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000015681437 568967960 /nfs/dbraw/zinc/96/79/60/568967960.db2.gz OTKAYFCUNMFYCM-LJQANCHMSA-N 1 1 405.546 3.884 50 0 HHAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000015681438 568968037 /nfs/dbraw/zinc/96/80/37/568968037.db2.gz OTKAYFCUNMFYCM-IBGZPJMESA-N 1 1 405.546 3.884 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(Nc3ccccc3)ncc2C1 ZINC000015779258 569001646 /nfs/dbraw/zinc/00/16/46/569001646.db2.gz COSYTOYLDOFPGW-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(Nc3ccccc3)ncc2C1 ZINC000015779258 569001647 /nfs/dbraw/zinc/00/16/47/569001647.db2.gz COSYTOYLDOFPGW-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3C(F)(F)F)C[C@H]2CCO)c1 ZINC000104466870 569008774 /nfs/dbraw/zinc/00/87/74/569008774.db2.gz ULUVJZNPTKQODW-LJQANCHMSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3C(F)(F)F)C[C@H]2CCO)c1 ZINC000104466870 569008775 /nfs/dbraw/zinc/00/87/75/569008775.db2.gz ULUVJZNPTKQODW-LJQANCHMSA-N 1 1 408.464 3.783 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983510 569009771 /nfs/dbraw/zinc/00/97/71/569009771.db2.gz VAZRBLAKDVLURD-FCHUYYIVSA-N 1 1 400.494 3.607 50 0 HHAAMO COc1cccc(NC(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c1 ZINC000015825003 569011356 /nfs/dbraw/zinc/01/13/56/569011356.db2.gz FDZPTFLNKSGPIU-UHFFFAOYSA-N 1 1 418.501 3.891 50 0 HHAAMO Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000012870304 569013224 /nfs/dbraw/zinc/01/32/24/569013224.db2.gz BXVZEWJXEIYMAC-UHFFFAOYSA-N 1 1 406.452 3.868 50 0 HHAAMO Cc1cccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000012870304 569013225 /nfs/dbraw/zinc/01/32/25/569013225.db2.gz BXVZEWJXEIYMAC-UHFFFAOYSA-N 1 1 406.452 3.868 50 0 HHAAMO Cc1sc2ncnc(SCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC000012891454 569020071 /nfs/dbraw/zinc/02/00/71/569020071.db2.gz ORFFOYRMIBBACK-QGZVFWFLSA-N 1 1 412.584 3.791 50 0 HHAAMO COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000012912814 569021988 /nfs/dbraw/zinc/02/19/88/569021988.db2.gz UYINXUYDNYPGCP-RBUKOAKNSA-N 1 1 408.542 3.898 50 0 HHAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035374841 569033948 /nfs/dbraw/zinc/03/39/48/569033948.db2.gz 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COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1cc(F)c(F)cc1F ZINC000524730002 569051594 /nfs/dbraw/zinc/05/15/94/569051594.db2.gz QTTFGBTYBHEPPP-HRAATJIYSA-N 1 1 412.496 3.776 50 0 HHAAMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570504 569052126 /nfs/dbraw/zinc/05/21/26/569052126.db2.gz BAMQVPYWMNHYKI-IAVIKHRSSA-N 1 1 409.574 3.811 50 0 HHAAMO CCc1csc(-c2ccc(S(=O)(=O)NCC[N@@H+](C)C3CCCCC3)s2)n1 ZINC000064755866 569089704 /nfs/dbraw/zinc/08/97/04/569089704.db2.gz RMKRSJPPEZJWCY-UHFFFAOYSA-N 1 1 413.634 3.977 50 0 HHAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097205 569090216 /nfs/dbraw/zinc/09/02/16/569090216.db2.gz HZSIGRCNSKUDIZ-IBGZPJMESA-N 1 1 423.937 3.636 50 0 HHAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146892 569098842 /nfs/dbraw/zinc/09/88/42/569098842.db2.gz SDYDBWPPZLNUJY-UPVQGACJSA-N 1 1 420.509 3.853 50 0 HHAAMO CCC[N@@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COc1ccccc1C ZINC000036207042 569109766 /nfs/dbraw/zinc/10/97/66/569109766.db2.gz POOYGCMPGOTVBZ-KRWDZBQOSA-N 1 1 415.559 3.562 50 0 HHAAMO CCC[N@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COc1ccccc1C ZINC000036207042 569109767 /nfs/dbraw/zinc/10/97/67/569109767.db2.gz POOYGCMPGOTVBZ-KRWDZBQOSA-N 1 1 415.559 3.562 50 0 HHAAMO Cc1c2ccccc2oc1-c1noc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000065009944 569153432 /nfs/dbraw/zinc/15/34/32/569153432.db2.gz RHXACOZSTSFCNH-UHFFFAOYSA-N 1 1 402.454 3.579 50 0 HHAAMO Cc1c2ccccc2oc1-c1noc(C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000065009944 569153433 /nfs/dbraw/zinc/15/34/33/569153433.db2.gz RHXACOZSTSFCNH-UHFFFAOYSA-N 1 1 402.454 3.579 50 0 HHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccnc(-c2cccs2)c1 ZINC000065063094 569166854 /nfs/dbraw/zinc/16/68/54/569166854.db2.gz HPAPCADQQSBYQM-UHFFFAOYSA-N 1 1 424.545 3.891 50 0 HHAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)cc1OCC ZINC000006891462 569174096 /nfs/dbraw/zinc/17/40/96/569174096.db2.gz AHPNCPDCFIKKOK-IBGZPJMESA-N 1 1 401.532 3.778 50 0 HHAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4c(F)cccc4F)CC3)n2)CC1 ZINC000065200262 569193710 /nfs/dbraw/zinc/19/37/10/569193710.db2.gz KCNOUACIKAOVON-UHFFFAOYSA-N 1 1 420.529 3.616 50 0 HHAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)CC1 ZINC000065200246 569193722 /nfs/dbraw/zinc/19/37/22/569193722.db2.gz QVUYKMOJLOAESX-UHFFFAOYSA-N 1 1 420.529 3.616 50 0 HHAAMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000170597466 569242132 /nfs/dbraw/zinc/24/21/32/569242132.db2.gz FLBPPPZJVZBPKC-PKTZIBPZSA-N 1 1 423.557 3.691 50 0 HHAAMO COc1cccc([C@@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c2ccccn2)c1 ZINC000170598104 569242413 /nfs/dbraw/zinc/24/24/13/569242413.db2.gz KGTNEDVNHDVXBP-MHECFPHRSA-N 1 1 403.482 3.690 50 0 HHAAMO COc1cccc([C@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c2ccccn2)c1 ZINC000170598105 569242443 /nfs/dbraw/zinc/24/24/43/569242443.db2.gz KGTNEDVNHDVXBP-KOSHJBKYSA-N 1 1 403.482 3.690 50 0 HHAAMO COC(=O)c1cccc(CS(=O)(=O)Nc2ccc3c(c2)C[N@H+](CCC(C)C)C3)c1 ZINC000170609153 569244903 /nfs/dbraw/zinc/24/49/03/569244903.db2.gz RBRIKKXKSLNFFC-UHFFFAOYSA-N 1 1 416.543 3.777 50 0 HHAAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089905830 569268327 /nfs/dbraw/zinc/26/83/27/569268327.db2.gz RXXDJDHNPGKHFG-WDEREUQCSA-N 1 1 413.827 3.551 50 0 HHAAMO Cn1cc(CCC(=O)OC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000252680056 569319914 /nfs/dbraw/zinc/31/99/14/569319914.db2.gz VBXGEFKAIZDEBB-XLIONFOSSA-N 1 1 409.452 3.998 50 0 HHAAMO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 ZINC000027906426 569409477 /nfs/dbraw/zinc/40/94/77/569409477.db2.gz PRPDUDNBOMQDCJ-LJQANCHMSA-N 1 1 409.486 3.505 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C(CO)CO)C1 ZINC000078995789 569423199 /nfs/dbraw/zinc/42/31/99/569423199.db2.gz PFQYJDOUAYRYKT-MGPUTAFESA-N 1 1 423.340 3.596 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C(CO)CO)C1 ZINC000078995789 569423200 /nfs/dbraw/zinc/42/32/00/569423200.db2.gz PFQYJDOUAYRYKT-MGPUTAFESA-N 1 1 423.340 3.596 50 0 HHAAMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccccc3OC3CCC3)cc2)CC1 ZINC000079025394 569424738 /nfs/dbraw/zinc/42/47/38/569424738.db2.gz UDSYWIYUKHQLFE-UHFFFAOYSA-N 1 1 421.541 3.577 50 0 HHAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777805 571118094 /nfs/dbraw/zinc/11/80/94/571118094.db2.gz ZKMAAHHVFDJQII-FZKQIMNGSA-N 1 1 418.400 3.689 50 0 HHAAMO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008901354 571144712 /nfs/dbraw/zinc/14/47/12/571144712.db2.gz LRTATZZGMLYHLM-SFHVURJKSA-N 1 1 408.589 3.961 50 0 HHAAMO C[C@@H](CNC(=O)c1csc(-c2ccsc2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000040106626 571167111 /nfs/dbraw/zinc/16/71/11/571167111.db2.gz JGGKSFBZSDDZRJ-INIZCTEOSA-N 1 1 412.584 3.812 50 0 HHAAMO FC(F)(F)c1ccc(N2CC[NH+](C3CCN(Cc4cccs4)CC3)CC2)nc1 ZINC000244914773 571210433 /nfs/dbraw/zinc/21/04/33/571210433.db2.gz BDMXMFUGBJUJRL-UHFFFAOYSA-N 1 1 410.509 3.949 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000009070132 571218334 /nfs/dbraw/zinc/21/83/34/571218334.db2.gz RQMBSBSANPVKSA-UHFFFAOYSA-N 1 1 420.340 3.960 50 0 HHAAMO O=C(Cc1c[nH]c2ccccc12)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000069349228 571221296 /nfs/dbraw/zinc/22/12/96/571221296.db2.gz CAZMXILBVHHWAX-UHFFFAOYSA-N 1 1 410.949 3.692 50 0 HHAAMO C=C1C(NC2CC[NH+](Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000009268374 571244170 /nfs/dbraw/zinc/24/41/70/571244170.db2.gz JTYHVERPYFUWPE-UHFFFAOYSA-N 1 1 413.518 3.553 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCCc1cccc(Cl)c1 ZINC000009742179 571283581 /nfs/dbraw/zinc/28/35/81/571283581.db2.gz TWRABBXUDRTAJR-FQEVSTJZSA-N 1 1 414.933 3.997 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCCc1cccc(Cl)c1 ZINC000009742179 571283583 /nfs/dbraw/zinc/28/35/83/571283583.db2.gz TWRABBXUDRTAJR-FQEVSTJZSA-N 1 1 414.933 3.997 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011841541 962201430 /nfs/dbraw/zinc/20/14/30/962201430.db2.gz MQNXGIKAHITOPP-NRFANRHFSA-N 1 1 414.569 3.522 50 0 HHAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000011910228 962207714 /nfs/dbraw/zinc/20/77/14/962207714.db2.gz AHEOTJSPZQIZCU-SIKLNZKXSA-N 1 1 406.526 3.781 50 0 HHAAMO O=C(CSc1ccccn1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011936960 962212092 /nfs/dbraw/zinc/21/20/92/962212092.db2.gz OFUFAUXECDJVNZ-JOCHJYFZSA-N 1 1 417.525 3.967 50 0 HHAAMO O=C(CSc1ccccn1)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011936960 962212101 /nfs/dbraw/zinc/21/21/01/962212101.db2.gz OFUFAUXECDJVNZ-JOCHJYFZSA-N 1 1 417.525 3.967 50 0 HHAAMO O=C(NCc1ccccc1)[C@@H]1CC12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000011971710 962218039 /nfs/dbraw/zinc/21/80/39/962218039.db2.gz QUBGAYBDIWMUOU-SFHVURJKSA-N 1 1 412.917 3.987 50 0 HHAAMO C[C@H](CC[N@@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1 ZINC000012004844 962221825 /nfs/dbraw/zinc/22/18/25/962221825.db2.gz RYHXGNWUROLSLQ-HXUWFJFHSA-N 1 1 423.605 3.569 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 ZINC000012194769 962252711 /nfs/dbraw/zinc/25/27/11/962252711.db2.gz GNZQGDISSJVYHI-SFHVURJKSA-N 1 1 405.498 3.581 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000012316643 962270285 /nfs/dbraw/zinc/27/02/85/962270285.db2.gz QWDWKHRIYQUHTF-LJQANCHMSA-N 1 1 420.557 3.891 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000012316643 962270298 /nfs/dbraw/zinc/27/02/98/962270298.db2.gz QWDWKHRIYQUHTF-LJQANCHMSA-N 1 1 420.557 3.891 50 0 HHAAMO COC1CCN(Cc2cc(Cl)ccc2OC[C@@H](O)C[NH+]2CCCCCC2)CC1 ZINC000012373515 962273835 /nfs/dbraw/zinc/27/38/35/962273835.db2.gz DIMJSCUULTYOQA-FQEVSTJZSA-N 1 1 410.986 3.567 50 0 HHAAMO CCC[N@@H+](Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC)CC1CC1 ZINC000012446029 962281441 /nfs/dbraw/zinc/28/14/41/962281441.db2.gz XVFMYHFXQJESAN-UHFFFAOYSA-N 1 1 411.612 3.506 50 0 HHAAMO CCC[N@H+](Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC)CC1CC1 ZINC000012446029 962281456 /nfs/dbraw/zinc/28/14/56/962281456.db2.gz XVFMYHFXQJESAN-UHFFFAOYSA-N 1 1 411.612 3.506 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)c1OC ZINC000012449868 962282936 /nfs/dbraw/zinc/28/29/36/962282936.db2.gz UXUSRDHVLYTVKC-IRLDBZIGSA-N 1 1 408.542 3.759 50 0 HHAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 ZINC000012467641 962283552 /nfs/dbraw/zinc/28/35/52/962283552.db2.gz SGJAMJXECQHAMK-HNNXBMFYSA-N 1 1 422.545 3.796 50 0 HHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)nc(C)n1 ZINC000012708571 962315565 /nfs/dbraw/zinc/31/55/65/962315565.db2.gz XAAMRCVGJKISNR-OAQYLSRUSA-N 1 1 410.562 3.519 50 0 HHAAMO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020908873 963403490 /nfs/dbraw/zinc/40/34/90/963403490.db2.gz XMMHMPYAMMSWSM-RUZDIDTESA-N 1 1 401.558 3.659 50 0 HHAAMO c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020908873 963403494 /nfs/dbraw/zinc/40/34/94/963403494.db2.gz XMMHMPYAMMSWSM-RUZDIDTESA-N 1 1 401.558 3.659 50 0 HHAAMO O=C(Nc1cccc2c1CC[N@H+](Cc1ccc3nsnc3c1)C2)c1ccncc1 ZINC000023339204 963801091 /nfs/dbraw/zinc/80/10/91/963801091.db2.gz LEPOEUXXRAMCJY-UHFFFAOYSA-N 1 1 401.495 3.897 50 0 HHAAMO O=C(Nc1cccc2c1CC[N@@H+](Cc1ccc3nsnc3c1)C2)c1ccncc1 ZINC000023339204 963801100 /nfs/dbraw/zinc/80/11/00/963801100.db2.gz LEPOEUXXRAMCJY-UHFFFAOYSA-N 1 1 401.495 3.897 50 0 HHAAMO COc1ccccc1CNCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000023620148 963864151 /nfs/dbraw/zinc/86/41/51/963864151.db2.gz LGOUGMRVHMMLQE-DEOSSOPVSA-N 1 1 420.553 3.857 50 0 HHAAMO COc1ccccc1CNCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000023620148 963864158 /nfs/dbraw/zinc/86/41/58/963864158.db2.gz LGOUGMRVHMMLQE-DEOSSOPVSA-N 1 1 420.553 3.857 50 0 HHAAMO CC(=O)Nc1cccc2nc(CN3CC[N@@H+](CC4CCCCC4)[C@H](CCO)C3)ccc21 ZINC000039543804 966499392 /nfs/dbraw/zinc/49/93/92/966499392.db2.gz PNMDALKBRJJUJF-JOCHJYFZSA-N 1 1 424.589 3.642 50 0 HHAAMO Cc1oc2c(c1C(=O)NCC[N@@H+]1CCCC[C@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000169750496 970468062 /nfs/dbraw/zinc/46/80/62/970468062.db2.gz FCFXUMTURYJEOX-QGZVFWFLSA-N 1 1 413.537 3.890 50 0 HHAAMO CCCNC(=O)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776671 970478391 /nfs/dbraw/zinc/47/83/91/970478391.db2.gz UZJCQIDKPMTZLZ-OAQYLSRUSA-N 1 1 403.542 3.923 50 0 HHAAMO CCC[N@@H+](C)C[C@@H]1CC(F)(F)CN1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000409419929 972890438 /nfs/dbraw/zinc/89/04/38/972890438.db2.gz ABCLOMJZTSAGIF-FQEVSTJZSA-N 1 1 418.532 3.824 50 0 HHAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1 ZINC000005683637 533353842 /nfs/dbraw/zinc/35/38/42/533353842.db2.gz HEHLQOSEUZRMFT-KPKJPENVSA-N 1 1 410.525 3.710 50 0 HHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(OC)cc2)CC1 ZINC000000815718 132233593 /nfs/dbraw/zinc/23/35/93/132233593.db2.gz CBUONZNHNPZENB-UHFFFAOYSA-N 1 1 403.910 3.508 50 0 HHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCCCC1 ZINC000008779741 132333427 /nfs/dbraw/zinc/33/34/27/132333427.db2.gz CODNOQUVEIDDMF-UHFFFAOYSA-N 1 1 420.557 3.874 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCCCC1 ZINC000008779741 132333428 /nfs/dbraw/zinc/33/34/28/132333428.db2.gz CODNOQUVEIDDMF-UHFFFAOYSA-N 1 1 420.557 3.874 50 0 HHAAMO CCOc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537396 520700016 /nfs/dbraw/zinc/70/00/16/520700016.db2.gz OCZVVGZDVOFFIZ-FQEVSTJZSA-N 1 1 413.537 3.717 50 0 HHAAMO CCOc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537396 520700022 /nfs/dbraw/zinc/70/00/22/520700022.db2.gz OCZVVGZDVOFFIZ-FQEVSTJZSA-N 1 1 413.537 3.717 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 ZINC000020543192 522378874 /nfs/dbraw/zinc/37/88/74/522378874.db2.gz YEAZZPVEQHREAZ-QFIPXVFZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 ZINC000020543192 522378883 /nfs/dbraw/zinc/37/88/83/522378883.db2.gz YEAZZPVEQHREAZ-QFIPXVFZSA-N 1 1 413.537 3.630 50 0 HHAAMO CC[C@@](C)(CNC(=O)Nc1ccc(OC)c(OC2CCCC2)c1)[NH+]1CCOCC1 ZINC000044334604 523639656 /nfs/dbraw/zinc/63/96/56/523639656.db2.gz BVRADJDLBGVRCS-QFIPXVFZSA-N 1 1 405.539 3.639 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1OC ZINC000020541002 523939907 /nfs/dbraw/zinc/93/99/07/523939907.db2.gz JBFWUMDQWLGYMS-JOCHJYFZSA-N 1 1 410.558 3.778 50 0 HHAAMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(F)c1 ZINC000020535049 524028928 /nfs/dbraw/zinc/02/89/28/524028928.db2.gz XYSGTLPXNKOAIN-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(F)c1 ZINC000020535049 524028931 /nfs/dbraw/zinc/02/89/31/524028931.db2.gz XYSGTLPXNKOAIN-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040355989 524105403 /nfs/dbraw/zinc/10/54/03/524105403.db2.gz IBIKYIDMPYPBRV-CQSZACIVSA-N 1 1 404.511 3.529 50 0 HHAAMO c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538566 526424760 /nfs/dbraw/zinc/42/47/60/526424760.db2.gz DZDQNOPGIHQEMH-QHCPKHFHSA-N 1 1 401.558 3.659 50 0 HHAAMO c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538566 526424764 /nfs/dbraw/zinc/42/47/64/526424764.db2.gz DZDQNOPGIHQEMH-QHCPKHFHSA-N 1 1 401.558 3.659 50 0 HHAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000036385674 527528292 /nfs/dbraw/zinc/52/82/92/527528292.db2.gz XZVKUQKLYWSWFI-XMMPIXPASA-N 1 1 422.548 3.697 50 0 HHAAMO COc1ccc(NC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000001070202 557169064 /nfs/dbraw/zinc/16/90/64/557169064.db2.gz XHDMROWYTZNCOQ-HXUWFJFHSA-N 1 1 413.905 3.557 50 0 HHAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4cccnc4)c3)CC2)cc1 ZINC000034668288 557362108 /nfs/dbraw/zinc/36/21/08/557362108.db2.gz SUOBJVNBLDIGDH-UHFFFAOYSA-N 1 1 400.526 3.642 50 0 HHAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](Cc4cccs4)CC3)n2)c1 ZINC000034678196 557366298 /nfs/dbraw/zinc/36/62/98/557366298.db2.gz YVQSUDJNPYKIGO-UHFFFAOYSA-N 1 1 414.506 3.754 50 0 HHAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccs3)CC2)nc1)c1ccc(F)cc1F ZINC000034681588 557383416 /nfs/dbraw/zinc/38/34/16/557383416.db2.gz KYJYYCKTQBCTCM-UHFFFAOYSA-N 1 1 414.481 3.996 50 0 HHAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855507 557476869 /nfs/dbraw/zinc/47/68/69/557476869.db2.gz BCAKANFFZBGSLU-SBUREZEXSA-N 1 1 411.546 3.899 50 0 HHAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855507 557476873 /nfs/dbraw/zinc/47/68/73/557476873.db2.gz BCAKANFFZBGSLU-SBUREZEXSA-N 1 1 411.546 3.899 50 0 HHAAMO COc1ccc([C@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cn3C2)cc1 ZINC000034898773 557480726 /nfs/dbraw/zinc/48/07/26/557480726.db2.gz ZDMZLNXQHOJNDR-QUCCMNQESA-N 1 1 410.562 3.616 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccccc4F)CC3)C2=O)cc1 ZINC000004772632 557596737 /nfs/dbraw/zinc/59/67/37/557596737.db2.gz YCBOMQDTFIOFOD-JOCHJYFZSA-N 1 1 410.489 3.811 50 0 HHAAMO C[N@@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000006876465 557728075 /nfs/dbraw/zinc/72/80/75/557728075.db2.gz MLLIIZBHMUFJKF-UHFFFAOYSA-N 1 1 411.477 3.636 50 0 HHAAMO O[C@H](COc1ccccc1-c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022918042 558260824 /nfs/dbraw/zinc/26/08/24/558260824.db2.gz XRFMRRPTNKCBRI-DEOSSOPVSA-N 1 1 402.538 3.911 50 0 HHAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741161 558261838 /nfs/dbraw/zinc/26/18/38/558261838.db2.gz AQAAOESVHFCTBB-HSZRJFAPSA-N 1 1 419.548 3.798 50 0 HHAAMO Fc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741161 558261840 /nfs/dbraw/zinc/26/18/40/558261840.db2.gz AQAAOESVHFCTBB-HSZRJFAPSA-N 1 1 419.548 3.798 50 0 HHAAMO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000011663448 558267220 /nfs/dbraw/zinc/26/72/20/558267220.db2.gz GSKRPYDSLLVIOX-FQEVSTJZSA-N 1 1 406.452 3.599 50 0 HHAAMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000011663448 558267224 /nfs/dbraw/zinc/26/72/24/558267224.db2.gz GSKRPYDSLLVIOX-FQEVSTJZSA-N 1 1 406.452 3.599 50 0 HHAAMO O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000011663448 558267230 /nfs/dbraw/zinc/26/72/30/558267230.db2.gz GSKRPYDSLLVIOX-FQEVSTJZSA-N 1 1 406.452 3.599 50 0 HHAAMO COc1cccc(-n2cc(C[N@H+](C)Cc3c[nH]nc3-c3ccc4c(c3)OCO4)cn2)c1 ZINC000011664676 558268155 /nfs/dbraw/zinc/26/81/55/558268155.db2.gz FCBVOUALJXUHKV-UHFFFAOYSA-N 1 1 417.469 3.632 50 0 HHAAMO COc1cccc(-n2cc(C[N@@H+](C)Cc3c[nH]nc3-c3ccc4c(c3)OCO4)cn2)c1 ZINC000011664676 558268156 /nfs/dbraw/zinc/26/81/56/558268156.db2.gz FCBVOUALJXUHKV-UHFFFAOYSA-N 1 1 417.469 3.632 50 0 HHAAMO Cn1cc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cn1 ZINC000011718675 558272049 /nfs/dbraw/zinc/27/20/49/558272049.db2.gz ZVROIMHIDUFWKY-UHFFFAOYSA-N 1 1 401.470 3.634 50 0 HHAAMO Cn1cc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cn1 ZINC000011718675 558272051 /nfs/dbraw/zinc/27/20/51/558272051.db2.gz ZVROIMHIDUFWKY-UHFFFAOYSA-N 1 1 401.470 3.634 50 0 HHAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000019761015 558276324 /nfs/dbraw/zinc/27/63/24/558276324.db2.gz ZYKLLJCRICFUPB-IBGZPJMESA-N 1 1 401.551 3.876 50 0 HHAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000019761015 558276327 /nfs/dbraw/zinc/27/63/27/558276327.db2.gz ZYKLLJCRICFUPB-IBGZPJMESA-N 1 1 401.551 3.876 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC000019798620 558284831 /nfs/dbraw/zinc/28/48/31/558284831.db2.gz MORMPUYFYCRRMZ-OAQYLSRUSA-N 1 1 404.480 3.887 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC000019798620 558284832 /nfs/dbraw/zinc/28/48/32/558284832.db2.gz MORMPUYFYCRRMZ-OAQYLSRUSA-N 1 1 404.480 3.887 50 0 HHAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NCCc4ccccc4)c3)CC2)CC1 ZINC000011838383 558285352 /nfs/dbraw/zinc/28/53/52/558285352.db2.gz YOESZYNQZFJLHR-UHFFFAOYSA-N 1 1 421.585 3.597 50 0 HHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000011842982 558287928 /nfs/dbraw/zinc/28/79/28/558287928.db2.gz HNWHZIKBMJEVNJ-JOCHJYFZSA-N 1 1 403.574 3.962 50 0 HHAAMO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccccc2OCCO)C1 ZINC000011843122 558288198 /nfs/dbraw/zinc/28/81/98/558288198.db2.gz LGOMANUODBUGRC-RUZDIDTESA-N 1 1 411.542 3.836 50 0 HHAAMO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019867600 558299332 /nfs/dbraw/zinc/29/93/32/558299332.db2.gz CYPNYGZHBRYJOW-UQQXROCHSA-N 1 1 416.581 3.932 50 0 HHAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000011999806 558308205 /nfs/dbraw/zinc/30/82/05/558308205.db2.gz UJCXHTREDKZQAX-RLLQIKCJSA-N 1 1 410.514 3.814 50 0 HHAAMO OC[C@H]1CCCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012028394 558310723 /nfs/dbraw/zinc/31/07/23/558310723.db2.gz KZMPPEGHWBFNSS-OAQYLSRUSA-N 1 1 405.498 3.674 50 0 HHAAMO CC(=O)Nc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012093296 558324744 /nfs/dbraw/zinc/32/47/44/558324744.db2.gz MQSGBXKYLGZAAP-FQEVSTJZSA-N 1 1 411.521 3.811 50 0 HHAAMO O=S(=O)(C[C@@H](C[NH+]1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1 ZINC000020060023 558329188 /nfs/dbraw/zinc/32/91/88/558329188.db2.gz GJUQNXFCNZTWKL-JOCHJYFZSA-N 1 1 400.588 3.954 50 0 HHAAMO CC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000020201317 558345679 /nfs/dbraw/zinc/34/56/79/558345679.db2.gz OQBRJFNYACXYOK-OAQYLSRUSA-N 1 1 401.551 3.876 50 0 HHAAMO COc1ccc([C@@H](C)[N@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)cc1 ZINC000012199884 558351105 /nfs/dbraw/zinc/35/11/05/558351105.db2.gz DGQYLUUWWRVYOB-CQSZACIVSA-N 1 1 413.474 3.964 50 0 HHAAMO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3OC)no2)cc1 ZINC000012199884 558351107 /nfs/dbraw/zinc/35/11/07/558351107.db2.gz DGQYLUUWWRVYOB-CQSZACIVSA-N 1 1 413.474 3.964 50 0 HHAAMO CC[NH+](CC)CCN(C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012201997 558351718 /nfs/dbraw/zinc/35/17/18/558351718.db2.gz SKZFFJATXLOGNG-UHFFFAOYSA-N 1 1 424.589 3.539 50 0 HHAAMO FC(F)(F)c1cccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 ZINC000020412859 558360894 /nfs/dbraw/zinc/36/08/94/558360894.db2.gz UJXPRLXTFQTKTL-KRWDZBQOSA-N 1 1 401.498 3.979 50 0 HHAAMO CCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000012282053 558365334 /nfs/dbraw/zinc/36/53/34/558365334.db2.gz YFWALYRLSSGXLO-YADHBBJMSA-N 1 1 406.526 3.991 50 0 HHAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000020455623 558369225 /nfs/dbraw/zinc/36/92/25/558369225.db2.gz FUUUYBQSYFZMFU-UHFFFAOYSA-N 1 1 421.520 3.529 50 0 HHAAMO COc1ccc(-c2ncc(C[N@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 ZINC000012300824 558370605 /nfs/dbraw/zinc/37/06/05/558370605.db2.gz KAUUPZPROPIMAH-FQEVSTJZSA-N 1 1 418.497 3.957 50 0 HHAAMO COC[C@@H]1CCCC[N@@H+]1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012314230 558377802 /nfs/dbraw/zinc/37/78/02/558377802.db2.gz DMEUTGORUMSANO-KRWDZBQOSA-N 1 1 404.580 3.803 50 0 HHAAMO COC[C@@H]1CCCC[N@H+]1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012314230 558377805 /nfs/dbraw/zinc/37/78/05/558377805.db2.gz DMEUTGORUMSANO-KRWDZBQOSA-N 1 1 404.580 3.803 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CSc1ccncc1 ZINC000012315085 558378569 /nfs/dbraw/zinc/37/85/69/558378569.db2.gz JNEZHKRPGKZHAX-SFHVURJKSA-N 1 1 401.551 3.726 50 0 HHAAMO CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCn2cc[nH+]c2C)CC1 ZINC000012317759 558381038 /nfs/dbraw/zinc/38/10/38/558381038.db2.gz JAMJYNNOJRZOGY-UHFFFAOYSA-N 1 1 417.937 3.650 50 0 HHAAMO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512105 558382312 /nfs/dbraw/zinc/38/23/12/558382312.db2.gz DSWAEPPSBOJJAM-HXUWFJFHSA-N 1 1 413.566 3.630 50 0 HHAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512105 558382317 /nfs/dbraw/zinc/38/23/17/558382317.db2.gz DSWAEPPSBOJJAM-HXUWFJFHSA-N 1 1 413.566 3.630 50 0 HHAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534144 558385499 /nfs/dbraw/zinc/38/54/99/558385499.db2.gz YFPTWHYSRQMSGA-FQEVSTJZSA-N 1 1 411.937 3.663 50 0 HHAAMO Clc1cccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534144 558385503 /nfs/dbraw/zinc/38/55/03/558385503.db2.gz YFPTWHYSRQMSGA-FQEVSTJZSA-N 1 1 411.937 3.663 50 0 HHAAMO CCCn1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020534180 558385692 /nfs/dbraw/zinc/38/56/92/558385692.db2.gz LSIKTOCOSNVFBJ-JOCHJYFZSA-N 1 1 414.594 3.758 50 0 HHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](CC3=Cc4cc(OC)ccc4OC3)C2)c1 ZINC000012386295 558395070 /nfs/dbraw/zinc/39/50/70/558395070.db2.gz NWQCCLJPCLAEDN-RUZDIDTESA-N 1 1 409.526 3.797 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000012432866 558406969 /nfs/dbraw/zinc/40/69/69/558406969.db2.gz ANQKKYALLDXINW-HSZRJFAPSA-N 1 1 408.542 3.824 50 0 HHAAMO O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012433809 558407852 /nfs/dbraw/zinc/40/78/52/558407852.db2.gz KZBOBIXDIQYDLH-HXUWFJFHSA-N 1 1 421.589 3.981 50 0 HHAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2nc(C)c(C)nc2C)C[C@@]1(C)CO ZINC000020784968 558413525 /nfs/dbraw/zinc/41/35/25/558413525.db2.gz VGKYXCOWHOXIBN-OIBXWCBGSA-N 1 1 416.997 3.979 50 0 HHAAMO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2nc(C)c(C)nc2C)C[C@@]1(C)CO ZINC000020784968 558413528 /nfs/dbraw/zinc/41/35/28/558413528.db2.gz VGKYXCOWHOXIBN-OIBXWCBGSA-N 1 1 416.997 3.979 50 0 HHAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012465512 558420516 /nfs/dbraw/zinc/42/05/16/558420516.db2.gz SHXZBFQZOYUPKN-FQEVSTJZSA-N 1 1 404.514 3.946 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(OCC)c(CO)c2)C1 ZINC000012471993 558422097 /nfs/dbraw/zinc/42/20/97/558422097.db2.gz QMAUMZAPPZLPJB-RUZDIDTESA-N 1 1 411.542 3.966 50 0 HHAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020993880 558426637 /nfs/dbraw/zinc/42/66/37/558426637.db2.gz HOXXHZMKITYHDE-JOCHJYFZSA-N 1 1 421.545 3.673 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012579763 558432027 /nfs/dbraw/zinc/43/20/27/558432027.db2.gz SUJQNQYZCKUNNR-OAQYLSRUSA-N 1 1 416.562 3.892 50 0 HHAAMO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000012586160 558434175 /nfs/dbraw/zinc/43/41/75/558434175.db2.gz JYPOOHGBVRPMHO-NRFANRHFSA-N 1 1 410.558 3.659 50 0 HHAAMO COc1ccc(-n2cc(C[N@H+]3CCCN(C(C)=O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012594963 558437179 /nfs/dbraw/zinc/43/71/79/558437179.db2.gz ZDHWMCROTWLCOI-UHFFFAOYSA-N 1 1 422.504 3.741 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000021795137 558449139 /nfs/dbraw/zinc/44/91/39/558449139.db2.gz ZBOCLKZODPCHFK-UHFFFAOYSA-N 1 1 414.941 3.783 50 0 HHAAMO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1C ZINC000021795200 558449643 /nfs/dbraw/zinc/44/96/43/558449643.db2.gz DNWDKFDBOQJLHD-UHFFFAOYSA-N 1 1 408.550 3.746 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(OC)c(O)c(OC)c3)C2)c(OC)c1 ZINC000012708112 558450799 /nfs/dbraw/zinc/45/07/99/558450799.db2.gz JCOITLYCNKLQLU-MRXNPFEDSA-N 1 1 415.486 3.522 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(OC)c(O)c(OC)c3)C2)c(OC)c1 ZINC000012708112 558450802 /nfs/dbraw/zinc/45/08/02/558450802.db2.gz JCOITLYCNKLQLU-MRXNPFEDSA-N 1 1 415.486 3.522 50 0 HHAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000022025282 558458753 /nfs/dbraw/zinc/45/87/53/558458753.db2.gz ITSCPJOCGIPERZ-IBGZPJMESA-N 1 1 422.529 3.811 50 0 HHAAMO COc1cccc2c1Sc1ccc(Cl)cc1C[C@@H]2N1CC[NH+](CCO)CC1 ZINC000022865525 558517772 /nfs/dbraw/zinc/51/77/72/558517772.db2.gz XUWMGDJVYVJBHG-SFHVURJKSA-N 1 1 404.963 3.707 50 0 HHAAMO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1Cc1cccs1 ZINC000022913620 558520573 /nfs/dbraw/zinc/52/05/73/558520573.db2.gz MADWWQPWNAMDTR-LJQANCHMSA-N 1 1 404.963 3.746 50 0 HHAAMO CSc1ccc(Cl)c(C(=O)NCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000023194285 558541905 /nfs/dbraw/zinc/54/19/05/558541905.db2.gz XRZGAFIDWNMTOZ-UHFFFAOYSA-N 1 1 403.979 3.922 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000023360408 558551674 /nfs/dbraw/zinc/55/16/74/558551674.db2.gz ABXUNKFPSUJBEL-HSZRJFAPSA-N 1 1 422.960 3.866 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360953 558552173 /nfs/dbraw/zinc/55/21/73/558552173.db2.gz CCRXXXKIODCOHH-DEOSSOPVSA-N 1 1 423.601 3.673 50 0 HHAAMO CCOc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360953 558552176 /nfs/dbraw/zinc/55/21/76/558552176.db2.gz CCRXXXKIODCOHH-DEOSSOPVSA-N 1 1 423.601 3.673 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)CC1 ZINC000023374865 558554584 /nfs/dbraw/zinc/55/45/84/558554584.db2.gz JDAMHLWBJLUCAM-JOCHJYFZSA-N 1 1 418.585 3.974 50 0 HHAAMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000069923627 558612057 /nfs/dbraw/zinc/61/20/57/558612057.db2.gz GCSBKAZYPXNGCN-UHFFFAOYSA-N 1 1 405.558 3.981 50 0 HHAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3Br)CC2)cc1 ZINC000025081841 558630953 /nfs/dbraw/zinc/63/09/53/558630953.db2.gz NWARUHXHUSKZSU-UHFFFAOYSA-N 1 1 421.310 3.945 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3Br)CC2)cc1 ZINC000025081841 558630956 /nfs/dbraw/zinc/63/09/56/558630956.db2.gz NWARUHXHUSKZSU-UHFFFAOYSA-N 1 1 421.310 3.945 50 0 HHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014530867 558655863 /nfs/dbraw/zinc/65/58/63/558655863.db2.gz KWTOHMQYEZBIFT-RTWAWAEBSA-N 1 1 423.532 3.567 50 0 HHAAMO O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014745328 558668783 /nfs/dbraw/zinc/66/87/83/558668783.db2.gz WYKRONCHOQKCFV-RCZVLFRGSA-N 1 1 405.586 3.996 50 0 HHAAMO O=C([C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc3ccccc3c2)C1)N1CCCC1 ZINC000014745328 558668787 /nfs/dbraw/zinc/66/87/87/558668787.db2.gz WYKRONCHOQKCFV-RCZVLFRGSA-N 1 1 405.586 3.996 50 0 HHAAMO COc1ccccc1Nc1nc(N)nc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000027782773 558682339 /nfs/dbraw/zinc/68/23/39/558682339.db2.gz YFESYLCGDKOKDH-UHFFFAOYSA-N 1 1 408.550 3.854 50 0 HHAAMO COc1ccccc1Nc1nc(N)nc(C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)n1 ZINC000027782773 558682341 /nfs/dbraw/zinc/68/23/41/558682341.db2.gz YFESYLCGDKOKDH-UHFFFAOYSA-N 1 1 408.550 3.854 50 0 HHAAMO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000015065855 558708649 /nfs/dbraw/zinc/70/86/49/558708649.db2.gz XLLBKSDTHAAJPN-QFIPXVFZSA-N 1 1 408.542 3.872 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000015069819 558711905 /nfs/dbraw/zinc/71/19/05/558711905.db2.gz HDEYJYJSCSCIAP-UHFFFAOYSA-N 1 1 422.504 3.741 50 0 HHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015078070 558717727 /nfs/dbraw/zinc/71/77/27/558717727.db2.gz GGRPZBIYIVCRSG-QFIPXVFZSA-N 1 1 417.575 3.824 50 0 HHAAMO O=C(c1ccccc1OC[C@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000030897814 558744237 /nfs/dbraw/zinc/74/42/37/558744237.db2.gz OGONTRXTHLAEJU-OAQYLSRUSA-N 1 1 412.505 3.732 50 0 HHAAMO O=C(c1ccccc1OC[C@H]1CCCO1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000030897814 558744242 /nfs/dbraw/zinc/74/42/42/558744242.db2.gz OGONTRXTHLAEJU-OAQYLSRUSA-N 1 1 412.505 3.732 50 0 HHAAMO Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc(=O)c2cc1Cl ZINC000015859937 558757643 /nfs/dbraw/zinc/75/76/43/558757643.db2.gz HXXOBENCGFUKDA-INIZCTEOSA-N 1 1 400.862 3.915 50 0 HHAAMO CC(=O)N[C@@H](CC(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1)c1cccs1 ZINC000034873469 558786381 /nfs/dbraw/zinc/78/63/81/558786381.db2.gz AYJZHFHGXPLLDY-VBQJREDUSA-N 1 1 420.604 3.889 50 0 HHAAMO CC(=O)N[C@@H](CC(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1)c1cccs1 ZINC000034873469 558786383 /nfs/dbraw/zinc/78/63/83/558786383.db2.gz AYJZHFHGXPLLDY-VBQJREDUSA-N 1 1 420.604 3.889 50 0 HHAAMO CC(C)Cc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000039442938 558821283 /nfs/dbraw/zinc/82/12/83/558821283.db2.gz ZJXWRTFABUGCHU-RUZDIDTESA-N 1 1 401.639 3.627 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000019221087 558851837 /nfs/dbraw/zinc/85/18/37/558851837.db2.gz FONMVGHTTJLKOH-HXUWFJFHSA-N 1 1 406.505 3.967 50 0 HHAAMO O=C(c1cc(F)c(F)cc1F)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055042668 558870544 /nfs/dbraw/zinc/87/05/44/558870544.db2.gz JVECWNBAQKCKTG-QGZVFWFLSA-N 1 1 421.438 3.670 50 0 HHAAMO Cc1cccc2sc(NC(=O)c3nc4ccccc4nc3N3CC[NH+](C)CC3)nc21 ZINC000033086089 558870832 /nfs/dbraw/zinc/87/08/32/558870832.db2.gz OTNWTYVPDBHUNX-UHFFFAOYSA-N 1 1 418.526 3.552 50 0 HHAAMO C[C@H]1CN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC[N@@H+]1C ZINC000055415031 558881242 /nfs/dbraw/zinc/88/12/42/558881242.db2.gz WVNCOZODQNVPJF-LBPRGKRZSA-N 1 1 408.449 3.858 50 0 HHAAMO C[C@H]1CN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC[N@H+]1C ZINC000055415031 558881243 /nfs/dbraw/zinc/88/12/43/558881243.db2.gz WVNCOZODQNVPJF-LBPRGKRZSA-N 1 1 408.449 3.858 50 0 HHAAMO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004676263 558888641 /nfs/dbraw/zinc/88/86/41/558888641.db2.gz LNEDVKXDMWELJG-GBXCKJPGSA-N 1 1 419.569 3.930 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cc(OC)c(OC)cc2C)c1C ZINC000058169289 558907736 /nfs/dbraw/zinc/90/77/36/558907736.db2.gz YYQGLUBMSYACKZ-MRXNPFEDSA-N 1 1 416.518 3.837 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(OC)c(OC)cc2C)c1C ZINC000058169289 558907738 /nfs/dbraw/zinc/90/77/38/558907738.db2.gz YYQGLUBMSYACKZ-MRXNPFEDSA-N 1 1 416.518 3.837 50 0 HHAAMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000097032693 558988260 /nfs/dbraw/zinc/98/82/60/558988260.db2.gz JPENHXMKGKNZNF-IBGZPJMESA-N 1 1 414.513 3.801 50 0 HHAAMO COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)c(C)o2)cc1C ZINC000067755358 558992316 /nfs/dbraw/zinc/99/23/16/558992316.db2.gz FAXBDCSMOVGXQQ-FQEVSTJZSA-N 1 1 413.562 3.820 50 0 HHAAMO COc1cc(C)c(-c2nc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)c(C)o2)cc1C ZINC000067755358 558992319 /nfs/dbraw/zinc/99/23/19/558992319.db2.gz FAXBDCSMOVGXQQ-FQEVSTJZSA-N 1 1 413.562 3.820 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@H](C)O1 ZINC000023182007 559031700 /nfs/dbraw/zinc/03/17/00/559031700.db2.gz GGNCAZNPJDDHNB-IRXDYDNUSA-N 1 1 423.557 3.806 50 0 HHAAMO O=C(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000095347284 559079727 /nfs/dbraw/zinc/07/97/27/559079727.db2.gz GJTHOXFOOJTJGT-OAQYLSRUSA-N 1 1 401.510 3.807 50 0 HHAAMO Cc1ocnc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095499739 559082121 /nfs/dbraw/zinc/08/21/21/559082121.db2.gz RNQDULZYYJXOJV-HXUWFJFHSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1ocnc1C(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095499739 559082122 /nfs/dbraw/zinc/08/21/22/559082122.db2.gz RNQDULZYYJXOJV-HXUWFJFHSA-N 1 1 402.583 3.566 50 0 HHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1 ZINC000095511574 559084107 /nfs/dbraw/zinc/08/41/07/559084107.db2.gz LTEVRZHMUVDODN-QGZVFWFLSA-N 1 1 403.486 3.590 50 0 HHAAMO CCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022897 559187795 /nfs/dbraw/zinc/18/77/95/559187795.db2.gz MUGRBEWUFIKFLA-DEOSSOPVSA-N 1 1 421.516 3.933 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936630 559211894 /nfs/dbraw/zinc/21/18/94/559211894.db2.gz BMNVEUGRYZLPHA-SFHVURJKSA-N 1 1 415.603 3.884 50 0 HHAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000006554682 560206128 /nfs/dbraw/zinc/20/61/28/560206128.db2.gz ZDNXZGYMXMNADE-QDSKXPNFSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000006554682 560206130 /nfs/dbraw/zinc/20/61/30/560206130.db2.gz ZDNXZGYMXMNADE-QDSKXPNFSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000005489950 560598006 /nfs/dbraw/zinc/59/80/06/560598006.db2.gz NBGLNGIBYWBIPG-GOTSBHOMSA-N 1 1 409.449 3.894 50 0 HHAAMO C[NH+](C)[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000062587274 560632269 /nfs/dbraw/zinc/63/22/69/560632269.db2.gz DKYCQFYOLZZACR-HNNXBMFYSA-N 1 1 400.832 3.585 50 0 HHAAMO S=C(NCCC[NH+]1CCOCC1)N[C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000017457992 560716905 /nfs/dbraw/zinc/71/69/05/560716905.db2.gz LDJKEOYLXNGMOC-NRFANRHFSA-N 1 1 415.628 3.513 50 0 HHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000018163308 560780650 /nfs/dbraw/zinc/78/06/50/560780650.db2.gz PECWLVBNTYMCNI-CALCHBBNSA-N 1 1 423.513 3.946 50 0 HHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)cc1 ZINC000018163308 560780652 /nfs/dbraw/zinc/78/06/52/560780652.db2.gz PECWLVBNTYMCNI-CALCHBBNSA-N 1 1 423.513 3.946 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982502 560858676 /nfs/dbraw/zinc/85/86/76/560858676.db2.gz FCTWSSQCXSTXJF-LEWJYISDSA-N 1 1 402.922 3.733 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983613 560859205 /nfs/dbraw/zinc/85/92/05/560859205.db2.gz QTKJEPAJRPVJCC-NHCUHLMSSA-N 1 1 402.922 3.733 50 0 HHAAMO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000048374002 568442330 /nfs/dbraw/zinc/44/23/30/568442330.db2.gz CKZGEUCGLQACRO-ZRCGQRJVSA-N 1 1 413.606 3.675 50 0 HHAAMO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000390827947 568491536 /nfs/dbraw/zinc/49/15/36/568491536.db2.gz MIOSFPFSZMLAKQ-SGKWCMOWSA-N 1 1 409.574 3.842 50 0 HHAAMO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023115048 568506314 /nfs/dbraw/zinc/50/63/14/568506314.db2.gz LUVXCOYRHPQROI-PQCJFMQRSA-N 1 1 402.554 3.542 50 0 HHAAMO C[C@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000033312351 568513704 /nfs/dbraw/zinc/51/37/04/568513704.db2.gz ILWGKUCXWGLHAB-HNNXBMFYSA-N 1 1 402.963 3.753 50 0 HHAAMO COc1c2c(cc3c1[C@@H](CC(=O)Cc1ccc(OC(C)C)cc1)[N@H+](C)CC3)OCO2 ZINC000020111925 568588698 /nfs/dbraw/zinc/58/86/98/568588698.db2.gz AZRATZTYMNCJJX-HXUWFJFHSA-N 1 1 411.498 3.942 50 0 biogenic HHAAMO COc1c2c(cc3c1[C@@H](CC(=O)Cc1ccc(OC(C)C)cc1)[N@@H+](C)CC3)OCO2 ZINC000020111925 568588699 /nfs/dbraw/zinc/58/86/99/568588699.db2.gz AZRATZTYMNCJJX-HXUWFJFHSA-N 1 1 411.498 3.942 50 0 biogenic HHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1csc2c1CCCCC2 ZINC000020379944 568602464 /nfs/dbraw/zinc/60/24/64/568602464.db2.gz ITOSMRHQVXSDLX-UHFFFAOYSA-N 1 1 411.615 3.955 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728725 568640653 /nfs/dbraw/zinc/64/06/53/568640653.db2.gz SLSNKLFXMZPEMH-ALDSOSFCSA-N 1 1 407.539 3.986 50 0 HHAAMO C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020857489 568645643 /nfs/dbraw/zinc/64/56/43/568645643.db2.gz ODVTUYLPEXYOHS-JTSKRJEESA-N 1 1 424.545 3.964 50 0 HHAAMO CCCC[N@@H+](CC)CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000021163757 568674721 /nfs/dbraw/zinc/67/47/21/568674721.db2.gz ADYQXHCATCCDLG-UHFFFAOYSA-N 1 1 403.596 3.536 50 0 HHAAMO O=C(O[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000096026672 568686771 /nfs/dbraw/zinc/68/67/71/568686771.db2.gz GPQNKPHQEHQXEP-DEOSSOPVSA-N 1 1 401.506 3.783 50 0 HHAAMO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000229764607 568715154 /nfs/dbraw/zinc/71/51/54/568715154.db2.gz CKZGEUCGLQACRO-MZKRTTBSSA-N 1 1 413.606 3.675 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039144 568747909 /nfs/dbraw/zinc/74/79/09/568747909.db2.gz LUVQQXIOUOEDLW-OAHLLOKOSA-N 1 1 405.901 3.775 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039144 568747912 /nfs/dbraw/zinc/74/79/12/568747912.db2.gz LUVQQXIOUOEDLW-OAHLLOKOSA-N 1 1 405.901 3.775 50 0 HHAAMO CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000012458541 568756377 /nfs/dbraw/zinc/75/63/77/568756377.db2.gz PLTDOLMVSPSFJU-APTRMMRNSA-N 1 1 408.546 3.548 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)cc2)C1 ZINC000052678881 568775607 /nfs/dbraw/zinc/77/56/07/568775607.db2.gz TVXHKZLKOJHSJY-HDICACEKSA-N 1 1 411.521 3.583 50 0 HHAAMO COc1cccc(NC(=O)[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)c1 ZINC000057024586 568823519 /nfs/dbraw/zinc/82/35/19/568823519.db2.gz LUSWSHSOKBVMNX-NFBKMPQASA-N 1 1 404.466 3.805 50 0 HHAAMO COc1cccc(NC(=O)[C@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)c1 ZINC000057024588 568823531 /nfs/dbraw/zinc/82/35/31/568823531.db2.gz LUSWSHSOKBVMNX-NZQKXSOJSA-N 1 1 404.466 3.805 50 0 HHAAMO Cc1nn(C)c2nc(C)c(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc12 ZINC000029749787 568828972 /nfs/dbraw/zinc/82/89/72/568828972.db2.gz FHZDIFUBYVKLED-FQEVSTJZSA-N 1 1 411.937 3.805 50 0 HHAAMO CCN1CCC([NH2+]Cc2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)CC1 ZINC000012525034 568842697 /nfs/dbraw/zinc/84/26/97/568842697.db2.gz FTNKBNWTKGXAQC-UHFFFAOYSA-N 1 1 419.573 3.802 50 0 HHAAMO NC(=O)C1CC[NH+]([C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000057607731 568855082 /nfs/dbraw/zinc/85/50/82/568855082.db2.gz NVZIBXRRXRBQRP-SFHVURJKSA-N 1 1 405.420 3.583 50 0 HHAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012579156 568863499 /nfs/dbraw/zinc/86/34/99/568863499.db2.gz RSCUOCGZUGTDQZ-HZPDHXFCSA-N 1 1 420.538 3.850 50 0 HHAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012579156 568863501 /nfs/dbraw/zinc/86/35/01/568863501.db2.gz RSCUOCGZUGTDQZ-HZPDHXFCSA-N 1 1 420.538 3.850 50 0 HHAAMO Cc1nnc(SCCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)s1 ZINC000299786723 568875545 /nfs/dbraw/zinc/87/55/45/568875545.db2.gz PSVPPNPRENZEJN-KSZLIROESA-N 1 1 402.589 3.671 50 0 HHAAMO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000015524146 568945179 /nfs/dbraw/zinc/94/51/79/568945179.db2.gz JTOAFOKCRDBOHH-OAHLLOKOSA-N 1 1 424.442 3.629 50 0 HHAAMO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000015524146 568945180 /nfs/dbraw/zinc/94/51/80/568945180.db2.gz JTOAFOKCRDBOHH-OAHLLOKOSA-N 1 1 424.442 3.629 50 0 HHAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000012765490 568948052 /nfs/dbraw/zinc/94/80/52/568948052.db2.gz APKFEBJYYSNGKU-OAQYLSRUSA-N 1 1 421.928 3.554 50 0 HHAAMO COc1ccc(Br)cc1C[N@@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000012775709 568954487 /nfs/dbraw/zinc/95/44/87/568954487.db2.gz SYRFQOOOCXHFQR-UHFFFAOYSA-N 1 1 403.320 3.869 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681523 568968093 /nfs/dbraw/zinc/96/80/93/568968093.db2.gz NTIYNTFPUYGURP-GOSISDBHSA-N 1 1 409.509 3.796 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCO2 ZINC000008262208 568985744 /nfs/dbraw/zinc/98/57/44/568985744.db2.gz XFABYQNSCWXFNJ-HNNXBMFYSA-N 1 1 409.511 3.886 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCO2 ZINC000008262208 568985746 /nfs/dbraw/zinc/98/57/46/568985746.db2.gz XFABYQNSCWXFNJ-HNNXBMFYSA-N 1 1 409.511 3.886 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1C ZINC000008324095 568990762 /nfs/dbraw/zinc/99/07/62/568990762.db2.gz MRYBUACIYCVBKM-ZFWWWQNUSA-N 1 1 400.475 3.501 50 0 HHAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc2)cc1 ZINC000012820268 568991888 /nfs/dbraw/zinc/99/18/88/568991888.db2.gz DJRQEMOUCJZIGE-XMMPIXPASA-N 1 1 403.482 3.971 50 0 HHAAMO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107829 568991954 /nfs/dbraw/zinc/99/19/54/568991954.db2.gz MWHAEIYCMQZNGZ-GHTZIAJQSA-N 1 1 424.593 3.646 50 0 biogenic HHAAMO O=C(COc1ccccc1)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000085878210 569009693 /nfs/dbraw/zinc/00/96/93/569009693.db2.gz SLBMVUAAXXRAMN-NZQKXSOJSA-N 1 1 421.541 3.698 50 0 biogenic HHAAMO COc1cc(NC(=O)C2=CC[N@H+](Cc3ccccc3F)CC2)cc(OC)c1OC ZINC000015861023 569015452 /nfs/dbraw/zinc/01/54/52/569015452.db2.gz MITHLLKWPRYBOP-UHFFFAOYSA-N 1 1 400.450 3.622 50 0 HHAAMO COc1cc(NC(=O)C2=CC[N@@H+](Cc3ccccc3F)CC2)cc(OC)c1OC ZINC000015861023 569015453 /nfs/dbraw/zinc/01/54/53/569015453.db2.gz MITHLLKWPRYBOP-UHFFFAOYSA-N 1 1 400.450 3.622 50 0 HHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 ZINC000012916056 569022556 /nfs/dbraw/zinc/02/25/56/569022556.db2.gz KIORWCJXOFOOLA-UHFFFAOYSA-N 1 1 420.509 3.523 50 0 HHAAMO COc1cccc(-c2nc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c1OC ZINC000012937568 569027926 /nfs/dbraw/zinc/02/79/26/569027926.db2.gz PBVVBRICUPGODO-KRWDZBQOSA-N 1 1 423.538 3.832 50 0 HHAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1C ZINC000012944680 569028927 /nfs/dbraw/zinc/02/89/27/569028927.db2.gz DUCBWGWALMASDY-HUUCEWRRSA-N 1 1 414.575 3.606 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000035399190 569035285 /nfs/dbraw/zinc/03/52/85/569035285.db2.gz ZCVFIAICCPPNNS-LJQANCHMSA-N 1 1 406.615 3.512 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1F ZINC000575620800 569038892 /nfs/dbraw/zinc/03/88/92/569038892.db2.gz MEIMIZBFPKTVSK-KRWDZBQOSA-N 1 1 408.520 3.630 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1F ZINC000575620802 569038924 /nfs/dbraw/zinc/03/89/24/569038924.db2.gz MEIMIZBFPKTVSK-QGZVFWFLSA-N 1 1 408.520 3.630 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821184 569040722 /nfs/dbraw/zinc/04/07/22/569040722.db2.gz JHUJEIXNUPPYLQ-UONOGXRCSA-N 1 1 406.939 3.783 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821184 569040723 /nfs/dbraw/zinc/04/07/23/569040723.db2.gz JHUJEIXNUPPYLQ-UONOGXRCSA-N 1 1 406.939 3.783 50 0 HHAAMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016396107 569040963 /nfs/dbraw/zinc/04/09/63/569040963.db2.gz QAZIQKBECHYOKX-QGZVFWFLSA-N 1 1 411.571 3.764 50 0 HHAAMO CCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)CC1 ZINC000035536907 569043599 /nfs/dbraw/zinc/04/35/99/569043599.db2.gz SRMLNBJNUAKNKZ-GOSISDBHSA-N 1 1 404.514 3.618 50 0 HHAAMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003071 569049303 /nfs/dbraw/zinc/04/93/03/569049303.db2.gz XJKXRBNCCGBHKU-LJQANCHMSA-N 1 1 417.431 3.957 50 0 HHAAMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000013003071 569049304 /nfs/dbraw/zinc/04/93/04/569049304.db2.gz XJKXRBNCCGBHKU-LJQANCHMSA-N 1 1 417.431 3.957 50 0 HHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000239672631 569054478 /nfs/dbraw/zinc/05/44/78/569054478.db2.gz BUIGRYTWMJQJQY-TXPKVOOTSA-N 1 1 418.559 3.531 50 0 HHAAMO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000241930298 569054997 /nfs/dbraw/zinc/05/49/97/569054997.db2.gz UHKWHLBHIMFQGW-AUSIDOKSSA-N 1 1 423.557 3.563 50 0 HHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096036 569090037 /nfs/dbraw/zinc/09/00/37/569090037.db2.gz LZJPQKCSYHUARK-HXUWFJFHSA-N 1 1 419.493 3.549 50 0 HHAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095723 569090084 /nfs/dbraw/zinc/09/00/84/569090084.db2.gz CPLRAQOVQBHKFC-NRFANRHFSA-N 1 1 411.498 3.877 50 0 HHAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095723 569090085 /nfs/dbraw/zinc/09/00/85/569090085.db2.gz CPLRAQOVQBHKFC-NRFANRHFSA-N 1 1 411.498 3.877 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145873 569098397 /nfs/dbraw/zinc/09/83/97/569098397.db2.gz DSMSFORBEPAZLK-SFTDATJTSA-N 1 1 400.494 3.607 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145873 569098399 /nfs/dbraw/zinc/09/83/99/569098399.db2.gz DSMSFORBEPAZLK-SFTDATJTSA-N 1 1 400.494 3.607 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146329 569098580 /nfs/dbraw/zinc/09/85/80/569098580.db2.gz LPXHQSOXPKUHHD-SFTDATJTSA-N 1 1 420.912 3.872 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145909 569098682 /nfs/dbraw/zinc/09/86/82/569098682.db2.gz WYVCMRDEPCENNA-VXKWHMMOSA-N 1 1 414.521 3.997 50 0 HHAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036250158 569119168 /nfs/dbraw/zinc/11/91/68/569119168.db2.gz FJLODXVDAAVREA-FQEVSTJZSA-N 1 1 405.970 3.525 50 0 HHAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036310753 569131918 /nfs/dbraw/zinc/13/19/18/569131918.db2.gz DAVUDBRXXRLBFJ-QFIPXVFZSA-N 1 1 412.578 3.716 50 0 HHAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310772 569131923 /nfs/dbraw/zinc/13/19/23/569131923.db2.gz GUUCNHQPHJNADZ-HXUWFJFHSA-N 1 1 420.985 3.917 50 0 HHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036345999 569143570 /nfs/dbraw/zinc/14/35/70/569143570.db2.gz BUPLRABWPCNHJM-QGZVFWFLSA-N 1 1 413.493 3.941 50 0 HHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036345999 569143572 /nfs/dbraw/zinc/14/35/72/569143572.db2.gz BUPLRABWPCNHJM-QGZVFWFLSA-N 1 1 413.493 3.941 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000036390407 569165596 /nfs/dbraw/zinc/16/55/96/569165596.db2.gz CIUAZHNDAIVYBK-HNAYVOBHSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000036390407 569165597 /nfs/dbraw/zinc/16/55/97/569165597.db2.gz CIUAZHNDAIVYBK-HNAYVOBHSA-N 1 1 421.522 3.816 50 0 HHAAMO O=C(Cc1cn2ccsc2n1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000036390779 569166091 /nfs/dbraw/zinc/16/60/91/569166091.db2.gz TWUPKFQEWUXEFE-LJQANCHMSA-N 1 1 422.579 3.916 50 0 HHAAMO O=C(Cc1cn2ccsc2n1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000036390779 569166092 /nfs/dbraw/zinc/16/60/92/569166092.db2.gz TWUPKFQEWUXEFE-LJQANCHMSA-N 1 1 422.579 3.916 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)CSc4ccccc43)cc2)C1 ZINC000036390940 569166650 /nfs/dbraw/zinc/16/66/50/569166650.db2.gz KKKUBGVROLMNTJ-GOSISDBHSA-N 1 1 423.582 3.674 50 0 HHAAMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Nc2cccc3ccccc32)CC1 ZINC000036395868 569168848 /nfs/dbraw/zinc/16/88/48/569168848.db2.gz YAMAKYBFPJGMTL-UHFFFAOYSA-N 1 1 412.534 3.904 50 0 HHAAMO Cc1ccccc1Oc1nccnc1SCC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000065111224 569178801 /nfs/dbraw/zinc/17/88/01/569178801.db2.gz WGQGNQYBEYPAHJ-MRXNPFEDSA-N 1 1 400.548 3.518 50 0 HHAAMO O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000065200047 569193607 /nfs/dbraw/zinc/19/36/07/569193607.db2.gz NDJQASGYWVCEIN-UHFFFAOYSA-N 1 1 424.492 3.720 50 0 HHAAMO CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)CC1 ZINC000065238952 569203121 /nfs/dbraw/zinc/20/31/21/569203121.db2.gz ZDXJMJXOZGJBHI-UHFFFAOYSA-N 1 1 405.564 3.699 50 0 HHAAMO COc1ccc(OC)c(NC(=O)N2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 ZINC000065330050 569224957 /nfs/dbraw/zinc/22/49/57/569224957.db2.gz QMKULTKXDFEXNA-UHFFFAOYSA-N 1 1 408.502 3.545 50 0 HHAAMO COc1cc(NC(=O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc(OC)c1 ZINC000065567100 569236121 /nfs/dbraw/zinc/23/61/21/569236121.db2.gz XQTWIMLVBHWNJK-UHFFFAOYSA-N 1 1 423.488 3.921 50 0 HHAAMO COc1cc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc(OC)c1 ZINC000065567100 569236122 /nfs/dbraw/zinc/23/61/22/569236122.db2.gz XQTWIMLVBHWNJK-UHFFFAOYSA-N 1 1 423.488 3.921 50 0 HHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(Br)cc1 ZINC000007443844 569239232 /nfs/dbraw/zinc/23/92/32/569239232.db2.gz GXQJGQZKSBIEIF-UHFFFAOYSA-N 1 1 416.319 3.646 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(Br)cc1 ZINC000007443844 569239233 /nfs/dbraw/zinc/23/92/33/569239233.db2.gz GXQJGQZKSBIEIF-UHFFFAOYSA-N 1 1 416.319 3.646 50 0 HHAAMO Cc1cc(C[N@H+](C)Cc2cc(=O)n3ccsc3n2)cc(C)c1OCC(F)(F)F ZINC000054394290 569277637 /nfs/dbraw/zinc/27/76/37/569277637.db2.gz SBPBGLVHBONCAB-UHFFFAOYSA-N 1 1 411.449 3.946 50 0 HHAAMO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000252443954 569285818 /nfs/dbraw/zinc/28/58/18/569285818.db2.gz DIONLWNYBVIUDQ-URXFXBBRSA-N 1 1 422.525 3.585 50 0 HHAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000252443954 569285819 /nfs/dbraw/zinc/28/58/19/569285819.db2.gz DIONLWNYBVIUDQ-URXFXBBRSA-N 1 1 422.525 3.585 50 0 HHAAMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000252444215 569286005 /nfs/dbraw/zinc/28/60/05/569286005.db2.gz SOSJSQXPSSZICL-GQWLDOHISA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2)CCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000252444215 569286007 /nfs/dbraw/zinc/28/60/07/569286007.db2.gz SOSJSQXPSSZICL-GQWLDOHISA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2)CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000252444215 569286009 /nfs/dbraw/zinc/28/60/09/569286009.db2.gz SOSJSQXPSSZICL-GQWLDOHISA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@H](O)c2ccc(Cl)cc2)CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000252444215 569286011 /nfs/dbraw/zinc/28/60/11/569286011.db2.gz SOSJSQXPSSZICL-GQWLDOHISA-N 1 1 409.357 3.767 50 0 HHAAMO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000252474621 569288024 /nfs/dbraw/zinc/28/80/24/569288024.db2.gz IJVQQXZDUWCJLA-GOTSBHOMSA-N 1 1 416.512 3.602 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000002294139 569369362 /nfs/dbraw/zinc/36/93/62/569369362.db2.gz ARGLLOMHEHTLDT-LLVKDONJSA-N 1 1 408.296 3.530 50 0 HHAAMO COc1c(Br)cc(Br)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000055043146 569376282 /nfs/dbraw/zinc/37/62/82/569376282.db2.gz OUQVALYTFYNQJC-UHFFFAOYSA-N 1 1 418.173 3.937 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000002349080 569380584 /nfs/dbraw/zinc/38/05/84/569380584.db2.gz PLFMRJWYEHIVPE-UHFFFAOYSA-N 1 1 409.461 3.871 50 0 HHAAMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000078969699 569422496 /nfs/dbraw/zinc/42/24/96/569422496.db2.gz JXZWVEUXGSBXNL-QUCCMNQESA-N 1 1 411.594 3.770 50 0 HHAAMO CCOc1cc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)nc2nc(C(F)(F)F)nn21 ZINC000078995897 569423158 /nfs/dbraw/zinc/42/31/58/569423158.db2.gz SPHFOUHVWRLHTD-INIZCTEOSA-N 1 1 421.423 3.888 50 0 HHAAMO CCOc1cc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)nc2nc(C(F)(F)F)nn21 ZINC000078995897 569423160 /nfs/dbraw/zinc/42/31/60/569423160.db2.gz SPHFOUHVWRLHTD-INIZCTEOSA-N 1 1 421.423 3.888 50 0 HHAAMO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040103431 571163847 /nfs/dbraw/zinc/16/38/47/571163847.db2.gz XJLLNKMIHPANSR-LJQANCHMSA-N 1 1 414.937 3.573 50 0 HHAAMO C[C@H](CNC(=O)c1csc(-c2ccsc2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000040106627 571167065 /nfs/dbraw/zinc/16/70/65/571167065.db2.gz JGGKSFBZSDDZRJ-MRXNPFEDSA-N 1 1 412.584 3.812 50 0 HHAAMO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000040120638 571176630 /nfs/dbraw/zinc/17/66/30/571176630.db2.gz DUVYHBWVHWOOHP-UHFFFAOYSA-N 1 1 414.506 3.508 50 0 HHAAMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000245229158 571218107 /nfs/dbraw/zinc/21/81/07/571218107.db2.gz PAWORNMZZRBLRK-DENIHFKCSA-N 1 1 405.922 3.770 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328864 571225563 /nfs/dbraw/zinc/22/55/63/571225563.db2.gz QHTQETRUAUTZJL-KNQAVFIVSA-N 1 1 401.526 3.500 50 0 HHAAMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)c(C)nc2c1 ZINC000071847528 571303433 /nfs/dbraw/zinc/30/34/33/571303433.db2.gz WTHABIVQLNZDLS-QFIPXVFZSA-N 1 1 402.498 3.554 50 0 HHAAMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@H+]3CCC[C@H]3C(N)=O)c(C)nc2c1 ZINC000071847528 571303434 /nfs/dbraw/zinc/30/34/34/571303434.db2.gz WTHABIVQLNZDLS-QFIPXVFZSA-N 1 1 402.498 3.554 50 0 HHAAMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@H+]3CCC[C@@H](C(N)=O)C3)c(C)nc2c1 ZINC000071862938 571303767 /nfs/dbraw/zinc/30/37/67/571303767.db2.gz HDLQMSQXOINFDY-HXUWFJFHSA-N 1 1 416.525 3.801 50 0 HHAAMO CCc1ccc2c(C[NH+]3CCC(n4c5ccccc5[nH]c4=O)CC3)cc(=O)oc2c1 ZINC000008775717 961597238 /nfs/dbraw/zinc/59/72/38/961597238.db2.gz XMJIZSHBQBVXMW-UHFFFAOYSA-N 1 1 403.482 3.836 50 0 HHAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4cc(OC)cc(OC)c4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000011843554 962202148 /nfs/dbraw/zinc/20/21/48/962202148.db2.gz XFEZRRZMDPHHNK-OWSXEPHWSA-N 1 1 408.498 3.655 50 0 HHAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCc1cccc(Cl)c1 ZINC000011933226 962210716 /nfs/dbraw/zinc/21/07/16/962210716.db2.gz GMOVCRIBYMJYAD-QFIPXVFZSA-N 1 1 421.928 3.500 50 0 HHAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCc1cccc(Cl)c1 ZINC000011933226 962210734 /nfs/dbraw/zinc/21/07/34/962210734.db2.gz GMOVCRIBYMJYAD-QFIPXVFZSA-N 1 1 421.928 3.500 50 0 HHAAMO C[C@]1(C2CC[NH+](Cc3ccc(F)cc3F)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012034874 962225325 /nfs/dbraw/zinc/22/53/25/962225325.db2.gz CAARTPJLZAEQLS-OAQYLSRUSA-N 1 1 419.497 3.749 50 0 HHAAMO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)sc2ncnc(NCc3ccco3)c12 ZINC000012097217 962238592 /nfs/dbraw/zinc/23/85/92/962238592.db2.gz AUDCXPPTAAWESO-HNNXBMFYSA-N 1 1 413.547 3.619 50 0 HHAAMO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(C(C)C)cc2)CC3)c(C)o1 ZINC000012183390 962250104 /nfs/dbraw/zinc/25/01/04/962250104.db2.gz PSIJCWKREJNALJ-UHFFFAOYSA-N 1 1 421.545 3.600 50 0 HHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000012434488 962279576 /nfs/dbraw/zinc/27/95/76/962279576.db2.gz VQZVDDPZASIRKT-NRFANRHFSA-N 1 1 409.530 3.566 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(C)c(O)c(C)c4)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012594052 962299647 /nfs/dbraw/zinc/29/96/47/962299647.db2.gz PCKFUEHLWXJVHM-XTJBDQBJSA-N 1 1 406.526 3.956 50 0 HHAAMO CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1C[N@H+](CCc1ccccc1)CC2 ZINC000014539400 962525025 /nfs/dbraw/zinc/52/50/25/962525025.db2.gz QLAFULWYGKCFID-UHFFFAOYSA-N 1 1 419.525 3.718 50 0 HHAAMO CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000014539400 962525035 /nfs/dbraw/zinc/52/50/35/962525035.db2.gz QLAFULWYGKCFID-UHFFFAOYSA-N 1 1 419.525 3.718 50 0 HHAAMO C[C@]1(C2CC[NH+](Cc3cccc(F)c3F)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000014881216 962597260 /nfs/dbraw/zinc/59/72/60/962597260.db2.gz QQRSKISYDKPERH-OAQYLSRUSA-N 1 1 419.497 3.749 50 0 HHAAMO COc1ccc(NC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)cc1Cl ZINC000015078233 962651612 /nfs/dbraw/zinc/65/16/12/962651612.db2.gz WRUKRBKAGSRKIM-SFHVURJKSA-N 1 1 402.926 3.914 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794472 963374971 /nfs/dbraw/zinc/37/49/71/963374971.db2.gz PCMMFBHSYMOATD-QFIPXVFZSA-N 1 1 404.558 3.963 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794472 963374988 /nfs/dbraw/zinc/37/49/88/963374988.db2.gz PCMMFBHSYMOATD-QFIPXVFZSA-N 1 1 404.558 3.963 50 0 HHAAMO Cn1cc(CN2CCC[N@@H+](Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019836699 963375118 /nfs/dbraw/zinc/37/51/18/963375118.db2.gz BCYPYDFMIXCZKL-UHFFFAOYSA-N 1 1 424.570 3.628 50 0 HHAAMO Cn1cc(C[N@@H+]2CCCN(Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019836699 963375124 /nfs/dbraw/zinc/37/51/24/963375124.db2.gz BCYPYDFMIXCZKL-UHFFFAOYSA-N 1 1 424.570 3.628 50 0 HHAAMO Cn1cc(C[N@H+]2CCCN(Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019836699 963375134 /nfs/dbraw/zinc/37/51/34/963375134.db2.gz BCYPYDFMIXCZKL-UHFFFAOYSA-N 1 1 424.570 3.628 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1cccn1-c1nccs1)CC2)[C@@H]1CCCO1 ZINC000020234853 963385994 /nfs/dbraw/zinc/38/59/94/963385994.db2.gz OLERHWFTEIIYLU-FQEVSTJZSA-N 1 1 408.527 3.610 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1cccn1-c1nccs1)CC2)[C@@H]1CCCO1 ZINC000020234853 963386005 /nfs/dbraw/zinc/38/60/05/963386005.db2.gz OLERHWFTEIIYLU-FQEVSTJZSA-N 1 1 408.527 3.610 50 0 HHAAMO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](N3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780722 963395364 /nfs/dbraw/zinc/39/53/64/963395364.db2.gz ULGWQMOIDSHDAS-DEOSSOPVSA-N 1 1 419.569 3.758 50 0 HHAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](N3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780722 963395372 /nfs/dbraw/zinc/39/53/72/963395372.db2.gz ULGWQMOIDSHDAS-DEOSSOPVSA-N 1 1 419.569 3.758 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1OC ZINC000020999161 963410873 /nfs/dbraw/zinc/41/08/73/963410873.db2.gz ISELDSYKXJQDAY-GOSISDBHSA-N 1 1 420.985 3.538 50 0 HHAAMO C/C=C/c1cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(OC)c1OC ZINC000022462650 963655933 /nfs/dbraw/zinc/65/59/33/963655933.db2.gz RZDTVYQVWCICQT-XBXARRHUSA-N 1 1 402.535 3.502 50 0 HHAAMO C[N@H+](Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O)C[C@H](O)c1ccccc1 ZINC000023129128 963772242 /nfs/dbraw/zinc/77/22/42/963772242.db2.gz TWPQOYFHDOVDEM-DEOSSOPVSA-N 1 1 417.484 3.749 50 0 HHAAMO Cn1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023145154 963774868 /nfs/dbraw/zinc/77/48/68/963774868.db2.gz UQECSUXYMZJBMK-VWLOTQADSA-N 1 1 418.585 3.589 50 0 HHAAMO Cc1cccc(Cc2nnc(CCC(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000023153542 963775837 /nfs/dbraw/zinc/77/58/37/963775837.db2.gz XWECUWZDZLZHKH-QFIPXVFZSA-N 1 1 418.541 3.682 50 0 HHAAMO COCCN(Cc1ccc2c(c1)CCO2)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055270775 965800661 /nfs/dbraw/zinc/80/06/61/965800661.db2.gz WYGWRAMQGJSZSE-JOCHJYFZSA-N 1 1 420.597 3.949 50 0 HHAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000039399477 966491977 /nfs/dbraw/zinc/49/19/77/966491977.db2.gz AHEOTJSPZQIZCU-UGKGYDQZSA-N 1 1 406.526 3.781 50 0 HHAAMO Cn1cc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c(-c2ccccc2)n1 ZINC000039532076 966497554 /nfs/dbraw/zinc/49/75/54/966497554.db2.gz ILHKSUJDCQOOLT-OAQYLSRUSA-N 1 1 404.514 3.935 50 0 HHAAMO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000096996509 969076340 /nfs/dbraw/zinc/07/63/40/969076340.db2.gz FHUKMQRWXQGCLQ-CPFIRTDXSA-N 1 1 412.559 3.676 50 0 HHAAMO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000243932324 970467577 /nfs/dbraw/zinc/46/75/77/970467577.db2.gz BUYCTCTVLCYXEL-UTKZUKDTSA-N 1 1 403.526 3.987 50 0 HHAAMO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000243932324 970467583 /nfs/dbraw/zinc/46/75/83/970467583.db2.gz BUYCTCTVLCYXEL-UTKZUKDTSA-N 1 1 403.526 3.987 50 0 HHAAMO O=C(NCc1ccco1)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777161 970479620 /nfs/dbraw/zinc/47/96/20/970479620.db2.gz XNMVLJAJZXOCCK-UHFFFAOYSA-N 1 1 417.509 3.942 50 0 HHAAMO CCCN1CCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 ZINC000299771797 970722471 /nfs/dbraw/zinc/72/24/71/970722471.db2.gz UXGBKBVMEGVKNJ-DEOSSOPVSA-N 1 1 407.558 3.567 50 0 HHAAMO CCCN1CCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 ZINC000299771797 970722477 /nfs/dbraw/zinc/72/24/77/970722477.db2.gz UXGBKBVMEGVKNJ-DEOSSOPVSA-N 1 1 407.558 3.567 50 0 HHAAMO O[C@@H](c1ccncc1)c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000299764473 970722491 /nfs/dbraw/zinc/72/24/91/970722491.db2.gz HGAUHIPMYKCUOA-VWLOTQADSA-N 1 1 412.493 3.948 50 0 HHAAMO O[C@@H](c1ccncc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000299764473 970722498 /nfs/dbraw/zinc/72/24/98/970722498.db2.gz HGAUHIPMYKCUOA-VWLOTQADSA-N 1 1 412.493 3.948 50 0 HHAAMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)Cc2cc(OC)ccc2O1 ZINC000299791944 970723667 /nfs/dbraw/zinc/72/36/67/970723667.db2.gz DLLCDWVOLMDSMP-GOSISDBHSA-N 1 1 400.544 3.705 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]ccc3C(=O)N(C)C)C2)c(Cl)c1OC ZINC000409420172 972890668 /nfs/dbraw/zinc/89/06/68/972890668.db2.gz ZFADLKWWECXNSW-OAHLLOKOSA-N 1 1 405.926 3.767 50 0 HHAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000002974868 132261134 /nfs/dbraw/zinc/26/11/34/132261134.db2.gz IJYWLCQRNPVWIF-UHFFFAOYSA-N 1 1 415.472 3.928 50 0 HHAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000006910632 132320335 /nfs/dbraw/zinc/32/03/35/132320335.db2.gz ZDLXRMBCZOEWBU-UHFFFAOYSA-N 1 1 419.566 3.524 50 0 HHAAMO CC(C)[C@@H](CNC(=O)CCCSc1nc2ccccc2s1)[NH+]1CCOCC1 ZINC000032901139 519794426 /nfs/dbraw/zinc/79/44/26/519794426.db2.gz YPTQXHVWRKJNEH-QGZVFWFLSA-N 1 1 407.605 3.642 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246110 520095179 /nfs/dbraw/zinc/09/51/79/520095179.db2.gz WBHSRYLGPIHPBB-FQEVSTJZSA-N 1 1 401.551 3.797 50 0 HHAAMO COc1cc(-c2n[nH]cc2CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000020598700 521901359 /nfs/dbraw/zinc/90/13/59/521901359.db2.gz SDXNCQDFXXVQOQ-HXUWFJFHSA-N 1 1 422.529 3.591 50 0 HHAAMO C[N@@H+](Cc1ccccc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CCCCC1 ZINC000042012208 523376190 /nfs/dbraw/zinc/37/61/90/523376190.db2.gz SJRHIVHTQOPFKV-UHFFFAOYSA-N 1 1 414.550 3.500 50 0 HHAAMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032777582 526052739 /nfs/dbraw/zinc/05/27/39/526052739.db2.gz RFMNTIGAZSXKKY-GFCCVEGCSA-N 1 1 403.331 3.713 50 0 HHAAMO Cc1noc(C)c1C[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000032911796 526503563 /nfs/dbraw/zinc/50/35/63/526503563.db2.gz VNXQYBLXJOYQSD-UHFFFAOYSA-N 1 1 400.486 3.619 50 0 HHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cccc(Cl)c1Cl ZINC000044892309 527002636 /nfs/dbraw/zinc/00/26/36/527002636.db2.gz JBGLBJMGGZXCSK-UHFFFAOYSA-N 1 1 411.285 3.950 50 0 HHAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000019897320 527409046 /nfs/dbraw/zinc/40/90/46/527409046.db2.gz JRLFXLMLPNRAGR-UHFFFAOYSA-N 1 1 417.509 3.544 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000032870908 527544083 /nfs/dbraw/zinc/54/40/83/527544083.db2.gz AYSPJWPMIRPUEC-UHFFFAOYSA-N 1 1 410.493 3.968 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000020540726 527673295 /nfs/dbraw/zinc/67/32/95/527673295.db2.gz DIUMFEAQSBQYFS-UHFFFAOYSA-N 1 1 413.905 3.524 50 0 HHAAMO Cc1cc([C@@H]2C[C@H](C(=O)N3CCOCC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716776 557430153 /nfs/dbraw/zinc/43/01/53/557430153.db2.gz GZYJQPIIMAMLAA-RTWAWAEBSA-N 1 1 414.496 3.738 50 0 HHAAMO CCCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855779 557477276 /nfs/dbraw/zinc/47/72/76/557477276.db2.gz IFKXPWWPXNSGDD-HXOBKFHXSA-N 1 1 411.546 3.901 50 0 HHAAMO CCCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855779 557477277 /nfs/dbraw/zinc/47/72/77/557477277.db2.gz IFKXPWWPXNSGDD-HXOBKFHXSA-N 1 1 411.546 3.901 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2C)n1 ZINC000034911944 557478401 /nfs/dbraw/zinc/47/84/01/557478401.db2.gz VFTUZIQWQZCSJC-NRFANRHFSA-N 1 1 417.557 3.575 50 0 HHAAMO Cc1nc(CSc2ccc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2)cs1 ZINC000022694141 557782734 /nfs/dbraw/zinc/78/27/34/557782734.db2.gz SZHKYRHOWDBNMO-LJQANCHMSA-N 1 1 419.616 3.830 50 0 HHAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022696836 557783822 /nfs/dbraw/zinc/78/38/22/557783822.db2.gz QCGBQQKQOAESKF-XMMPIXPASA-N 1 1 421.516 3.933 50 0 HHAAMO COc1cc(Br)c([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000019731576 558259565 /nfs/dbraw/zinc/25/95/65/558259565.db2.gz UPDZXQZVUVQEOV-IBGZPJMESA-N 1 1 408.292 3.719 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc(-n3cccn3)cc2C)C[C@@H]1CCO ZINC000019731373 558259585 /nfs/dbraw/zinc/25/95/85/558259585.db2.gz DYMOQTRCRHWMGE-VWLOTQADSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccccc1CN1CC[N@H+](Cc2ccc(-n3cccn3)cc2C)C[C@@H]1CCO ZINC000019731373 558259587 /nfs/dbraw/zinc/25/95/87/558259587.db2.gz DYMOQTRCRHWMGE-VWLOTQADSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccc(-n3cccn3)cc2C)C[C@@H]1CCO ZINC000019731373 558259589 /nfs/dbraw/zinc/25/95/89/558259589.db2.gz DYMOQTRCRHWMGE-VWLOTQADSA-N 1 1 404.558 3.558 50 0 HHAAMO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000011789701 558277183 /nfs/dbraw/zinc/27/71/83/558277183.db2.gz IGQVLXGDVLGBOG-KRWDZBQOSA-N 1 1 412.921 3.896 50 0 HHAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000011813463 558278229 /nfs/dbraw/zinc/27/82/29/558278229.db2.gz YLNJHQHDZKABAK-LJQANCHMSA-N 1 1 420.981 3.786 50 0 HHAAMO COc1cc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cc(OC)c1OC ZINC000019781848 558281360 /nfs/dbraw/zinc/28/13/60/558281360.db2.gz KNHLPUQBSHHWFM-UHFFFAOYSA-N 1 1 402.560 3.752 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011821351 558284608 /nfs/dbraw/zinc/28/46/08/558284608.db2.gz HUBODLGTDVJOBO-AREMUKBSSA-N 1 1 421.585 3.934 50 0 HHAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000011844655 558289319 /nfs/dbraw/zinc/28/93/19/558289319.db2.gz MULCUDBIOJSHQU-CYBMUJFWSA-N 1 1 405.882 3.521 50 0 HHAAMO CCCCNC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823512 558291011 /nfs/dbraw/zinc/29/10/11/558291011.db2.gz GSEBVDSGDTUSRN-UHFFFAOYSA-N 1 1 407.558 3.617 50 0 HHAAMO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1F ZINC000011879612 558294115 /nfs/dbraw/zinc/29/41/15/558294115.db2.gz MDQHNCAPICFHBF-GOSISDBHSA-N 1 1 414.521 3.870 50 0 HHAAMO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2ccccc2F)cc1 ZINC000012058651 558317034 /nfs/dbraw/zinc/31/70/34/558317034.db2.gz UISZCTSTBQCREM-QHCPKHFHSA-N 1 1 408.517 3.987 50 0 HHAAMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2ccccc2F)cc1 ZINC000012058651 558317035 /nfs/dbraw/zinc/31/70/35/558317035.db2.gz UISZCTSTBQCREM-QHCPKHFHSA-N 1 1 408.517 3.987 50 0 HHAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CC[NH+](C)CC2)c1C ZINC000020192360 558344804 /nfs/dbraw/zinc/34/48/04/558344804.db2.gz AFPNZEVXFINEEQ-HXUWFJFHSA-N 1 1 410.543 3.942 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000020421684 558362112 /nfs/dbraw/zinc/36/21/12/558362112.db2.gz DTWZTIPYWXUTIX-UHFFFAOYSA-N 1 1 417.435 3.821 50 0 HHAAMO Cc1cc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000012314479 558378025 /nfs/dbraw/zinc/37/80/25/558378025.db2.gz KITZLUXXKRQRIF-FQEVSTJZSA-N 1 1 415.553 3.952 50 0 HHAAMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000012315355 558378880 /nfs/dbraw/zinc/37/88/80/558378880.db2.gz PGUJTFXPDKANJZ-GOSISDBHSA-N 1 1 422.495 3.774 50 0 HHAAMO CC(C)Cc1nc2oc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCCC2 ZINC000020519320 558383365 /nfs/dbraw/zinc/38/33/65/558383365.db2.gz ASQYWOSSQFNGNK-UHFFFAOYSA-N 1 1 423.561 3.983 50 0 HHAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000012438348 558409792 /nfs/dbraw/zinc/40/97/92/558409792.db2.gz XOIJRANIXLJEPX-FQEVSTJZSA-N 1 1 421.545 3.860 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4csc(C(C)=O)c4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012440449 558411716 /nfs/dbraw/zinc/41/17/16/558411716.db2.gz KHBHPGOUJGUXHM-LEDOBFOHSA-N 1 1 410.539 3.897 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4csc(C(C)=O)c4)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012440449 558411719 /nfs/dbraw/zinc/41/17/19/558411719.db2.gz KHBHPGOUJGUXHM-LEDOBFOHSA-N 1 1 410.539 3.897 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc1 ZINC000020869660 558418367 /nfs/dbraw/zinc/41/83/67/558418367.db2.gz IDHJARVLFPJUGW-QFIPXVFZSA-N 1 1 407.558 3.646 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc1 ZINC000020869660 558418369 /nfs/dbraw/zinc/41/83/69/558418369.db2.gz IDHJARVLFPJUGW-QFIPXVFZSA-N 1 1 407.558 3.646 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc1 ZINC000020869660 558418370 /nfs/dbraw/zinc/41/83/70/558418370.db2.gz IDHJARVLFPJUGW-QFIPXVFZSA-N 1 1 407.558 3.646 50 0 HHAAMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464730 558420246 /nfs/dbraw/zinc/42/02/46/558420246.db2.gz OHZFOUOTKYWFIV-GOSISDBHSA-N 1 1 414.521 3.950 50 0 HHAAMO COc1cc(C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464730 558420248 /nfs/dbraw/zinc/42/02/48/558420248.db2.gz OHZFOUOTKYWFIV-GOSISDBHSA-N 1 1 414.521 3.950 50 0 HHAAMO COc1cc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464730 558420250 /nfs/dbraw/zinc/42/02/50/558420250.db2.gz OHZFOUOTKYWFIV-GOSISDBHSA-N 1 1 414.521 3.950 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000072015846 558429161 /nfs/dbraw/zinc/42/91/61/558429161.db2.gz PKYQEWRLPTUHMQ-OXHGWOFKSA-N 1 1 410.514 3.574 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](C)O1 ZINC000021064375 558430646 /nfs/dbraw/zinc/43/06/46/558430646.db2.gz YZJQRDPILKRYRZ-GASCZTMLSA-N 1 1 421.488 3.556 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)C[C@H](C)O1 ZINC000021064375 558430648 /nfs/dbraw/zinc/43/06/48/558430648.db2.gz YZJQRDPILKRYRZ-GASCZTMLSA-N 1 1 421.488 3.556 50 0 HHAAMO COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012578045 558431543 /nfs/dbraw/zinc/43/15/43/558431543.db2.gz GAZUVUQKVUUQRW-LJQANCHMSA-N 1 1 412.505 3.639 50 0 HHAAMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000012582391 558432856 /nfs/dbraw/zinc/43/28/56/558432856.db2.gz XDACXLVVHRHSPQ-QHCPKHFHSA-N 1 1 417.513 3.824 50 0 HHAAMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000012582391 558432858 /nfs/dbraw/zinc/43/28/58/558432858.db2.gz XDACXLVVHRHSPQ-QHCPKHFHSA-N 1 1 417.513 3.824 50 0 HHAAMO COc1ccc(CC(=O)N(C)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1OC ZINC000012702166 558448062 /nfs/dbraw/zinc/44/80/62/558448062.db2.gz JHUQQNTWLZEQLJ-JOCHJYFZSA-N 1 1 410.558 3.802 50 0 HHAAMO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022087514 558463006 /nfs/dbraw/zinc/46/30/06/558463006.db2.gz VQFOFOPMABKTIQ-QHCPKHFHSA-N 1 1 419.525 3.532 50 0 HHAAMO Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C(C)C)cc1 ZINC000012798746 558470647 /nfs/dbraw/zinc/47/06/47/558470647.db2.gz RQOINYMQXDIQJV-NHCUHLMSSA-N 1 1 415.965 3.822 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012971973 558489223 /nfs/dbraw/zinc/48/92/23/558489223.db2.gz PUIVUMYMCKMFDC-AWEZNQCLSA-N 1 1 419.407 3.797 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012971973 558489225 /nfs/dbraw/zinc/48/92/25/558489225.db2.gz PUIVUMYMCKMFDC-AWEZNQCLSA-N 1 1 419.407 3.797 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1Cl ZINC000022620031 558503153 /nfs/dbraw/zinc/50/31/53/558503153.db2.gz MHWPGYNADDIEFV-GHTZIAJQSA-N 1 1 402.922 3.931 50 0 HHAAMO COc1ccccc1N1CCC([N@H+]2CCN(Cc3ccccc3C)[C@@H](CCO)C2)CC1 ZINC000022918741 558522258 /nfs/dbraw/zinc/52/22/58/558522258.db2.gz UWPBSMRLJVODTO-DEOSSOPVSA-N 1 1 423.601 3.541 50 0 HHAAMO COc1ccccc1N1CCC(N2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)CC1 ZINC000022918741 558522260 /nfs/dbraw/zinc/52/22/60/558522260.db2.gz UWPBSMRLJVODTO-DEOSSOPVSA-N 1 1 423.601 3.541 50 0 HHAAMO COc1ccccc1N1CCC(N2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)CC1 ZINC000022918741 558522263 /nfs/dbraw/zinc/52/22/63/558522263.db2.gz UWPBSMRLJVODTO-DEOSSOPVSA-N 1 1 423.601 3.541 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc1 ZINC000022932767 558524876 /nfs/dbraw/zinc/52/48/76/558524876.db2.gz FYLLKYZNUBYPTL-NRFANRHFSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc1 ZINC000022932767 558524878 /nfs/dbraw/zinc/52/48/78/558524878.db2.gz FYLLKYZNUBYPTL-NRFANRHFSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccc(CN2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc1 ZINC000022932767 558524880 /nfs/dbraw/zinc/52/48/80/558524880.db2.gz FYLLKYZNUBYPTL-NRFANRHFSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc1 ZINC000022932767 558524882 /nfs/dbraw/zinc/52/48/82/558524882.db2.gz FYLLKYZNUBYPTL-NRFANRHFSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000023359400 558551456 /nfs/dbraw/zinc/55/14/56/558551456.db2.gz OSZYZHZVTDETFN-LJQANCHMSA-N 1 1 414.575 3.549 50 0 HHAAMO Cc1ccccc1CN1CC[N@H+](C2CCN(c3ccccc3C)CC2)C[C@@H]1CCO ZINC000023361150 558552246 /nfs/dbraw/zinc/55/22/46/558552246.db2.gz XKBMIVOEZHVQQV-VWLOTQADSA-N 1 1 407.602 3.841 50 0 HHAAMO Cc1ccccc1C[N@@H+]1CCN(C2CCN(c3ccccc3C)CC2)C[C@@H]1CCO ZINC000023361150 558552248 /nfs/dbraw/zinc/55/22/48/558552248.db2.gz XKBMIVOEZHVQQV-VWLOTQADSA-N 1 1 407.602 3.841 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCN(C2CCN(c3ccccc3C)CC2)C[C@@H]1CCO ZINC000023361150 558552252 /nfs/dbraw/zinc/55/22/52/558552252.db2.gz XKBMIVOEZHVQQV-VWLOTQADSA-N 1 1 407.602 3.841 50 0 HHAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000023389295 558556455 /nfs/dbraw/zinc/55/64/55/558556455.db2.gz ZEXDNUBORNYOOO-WZONZLPQSA-N 1 1 416.949 3.803 50 0 HHAAMO Cn1ccnc1C[NH+]1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000023580969 558562823 /nfs/dbraw/zinc/56/28/23/558562823.db2.gz OKCHCABRTYTROG-UHFFFAOYSA-N 1 1 408.468 3.748 50 0 HHAAMO CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000023908215 558581140 /nfs/dbraw/zinc/58/11/40/558581140.db2.gz CRRUKOOHCCHEID-UHFFFAOYSA-N 1 1 418.541 3.884 50 0 HHAAMO CC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000023908215 558581141 /nfs/dbraw/zinc/58/11/41/558581141.db2.gz CRRUKOOHCCHEID-UHFFFAOYSA-N 1 1 418.541 3.884 50 0 HHAAMO Clc1cccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c21 ZINC000013811266 558595750 /nfs/dbraw/zinc/59/57/50/558595750.db2.gz FHKBMNIGOQPYES-UHFFFAOYSA-N 1 1 421.888 3.815 50 0 HHAAMO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000025054001 558629020 /nfs/dbraw/zinc/62/90/20/558629020.db2.gz BJENUGGOEAJBNG-GFCCVEGCSA-N 1 1 409.467 3.867 50 0 HHAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000014187302 558631483 /nfs/dbraw/zinc/63/14/83/558631483.db2.gz UFVOYJCGNSYLHV-HDICACEKSA-N 1 1 424.570 3.830 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000026299707 558658618 /nfs/dbraw/zinc/65/86/18/558658618.db2.gz ZIXHHZJJVCNDCX-WZONZLPQSA-N 1 1 403.530 3.796 50 0 HHAAMO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014732457 558665976 /nfs/dbraw/zinc/66/59/76/558665976.db2.gz CJJBQFDHXUOOSJ-UHFFFAOYSA-N 1 1 420.538 3.725 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000014964127 558685232 /nfs/dbraw/zinc/68/52/32/558685232.db2.gz ZOVDFIXHXVANIA-GOSISDBHSA-N 1 1 422.504 3.693 50 0 HHAAMO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 ZINC000014966570 558685951 /nfs/dbraw/zinc/68/59/51/558685951.db2.gz NYZRZCHSOKSAFF-KRWDZBQOSA-N 1 1 400.954 3.616 50 0 HHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000014993157 558695048 /nfs/dbraw/zinc/69/50/48/558695048.db2.gz ONJCJYDEILLOKG-RTWAWAEBSA-N 1 1 414.571 3.836 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)cc1 ZINC000028622109 558702578 /nfs/dbraw/zinc/70/25/78/558702578.db2.gz PJIAXZUNIMPEAZ-REWPJTCUSA-N 1 1 404.466 3.805 50 0 HHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000070039892 558704488 /nfs/dbraw/zinc/70/44/88/558704488.db2.gz RDWLWYOLVMITEH-FRRDWIJNSA-N 1 1 407.399 3.537 50 0 HHAAMO COc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000015066056 558709032 /nfs/dbraw/zinc/70/90/32/558709032.db2.gz QSXOOASHOFOBKO-FQEVSTJZSA-N 1 1 422.504 3.757 50 0 HHAAMO COc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000015066056 558709035 /nfs/dbraw/zinc/70/90/35/558709035.db2.gz QSXOOASHOFOBKO-FQEVSTJZSA-N 1 1 422.504 3.757 50 0 HHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000015068833 558711257 /nfs/dbraw/zinc/71/12/57/558711257.db2.gz VXVMWRDRPMYTAV-JOCHJYFZSA-N 1 1 415.559 3.813 50 0 HHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000015068833 558711261 /nfs/dbraw/zinc/71/12/61/558711261.db2.gz VXVMWRDRPMYTAV-JOCHJYFZSA-N 1 1 415.559 3.813 50 0 HHAAMO OCCOc1cccc(C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000015069497 558711673 /nfs/dbraw/zinc/71/16/73/558711673.db2.gz OZXNCTDOAOQTCP-RUZDIDTESA-N 1 1 419.521 3.728 50 0 HHAAMO OCCOc1cccc(C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000015069497 558711677 /nfs/dbraw/zinc/71/16/77/558711677.db2.gz OZXNCTDOAOQTCP-RUZDIDTESA-N 1 1 419.521 3.728 50 0 HHAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)c(OC)c1 ZINC000015778826 558753084 /nfs/dbraw/zinc/75/30/84/558753084.db2.gz IHBIKPUQUDBQLC-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)c(OC)c1 ZINC000015778826 558753086 /nfs/dbraw/zinc/75/30/86/558753086.db2.gz IHBIKPUQUDBQLC-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310099 558779748 /nfs/dbraw/zinc/77/97/48/558779748.db2.gz UFYLFYGFUABBDG-JOCHJYFZSA-N 1 1 414.496 3.794 50 0 HHAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310099 558779750 /nfs/dbraw/zinc/77/97/50/558779750.db2.gz UFYLFYGFUABBDG-JOCHJYFZSA-N 1 1 414.496 3.794 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(Nc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018271589 558835200 /nfs/dbraw/zinc/83/52/00/558835200.db2.gz VHAPVSCJNRSHHY-LJQANCHMSA-N 1 1 401.869 3.688 50 0 HHAAMO OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019228902 558853165 /nfs/dbraw/zinc/85/31/65/558853165.db2.gz RGCVKNLCSQQDEP-UHFFFAOYSA-N 1 1 403.979 3.943 50 0 fda HHAAMO Clc1ccc(-n2cccc2C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)nc1 ZINC000019229550 558853619 /nfs/dbraw/zinc/85/36/19/558853619.db2.gz YGQPYJXENQNZDR-UHFFFAOYSA-N 1 1 404.905 3.843 50 0 HHAAMO Clc1ccc(-n2cccc2C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)nc1 ZINC000019229550 558853621 /nfs/dbraw/zinc/85/36/21/558853621.db2.gz YGQPYJXENQNZDR-UHFFFAOYSA-N 1 1 404.905 3.843 50 0 HHAAMO Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036819 558860658 /nfs/dbraw/zinc/86/06/58/558860658.db2.gz RZFJLBHHSHDXSM-UHFFFAOYSA-N 1 1 420.532 3.717 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300340 558866116 /nfs/dbraw/zinc/86/61/16/558866116.db2.gz BVCODQJLYMAJBK-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300340 558866118 /nfs/dbraw/zinc/86/61/18/558866118.db2.gz BVCODQJLYMAJBK-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183311 558875248 /nfs/dbraw/zinc/87/52/48/558875248.db2.gz QISPJOWAWNJVIT-HSZRJFAPSA-N 1 1 420.601 3.911 50 0 HHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000055183311 558875249 /nfs/dbraw/zinc/87/52/49/558875249.db2.gz QISPJOWAWNJVIT-HSZRJFAPSA-N 1 1 420.601 3.911 50 0 HHAAMO O=C(c1ccccc1Cl)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055199249 558875731 /nfs/dbraw/zinc/87/57/31/558875731.db2.gz NOGCVBNSUSSHJF-KRWDZBQOSA-N 1 1 401.913 3.906 50 0 HHAAMO CC[N@H+](Cc1cccc(OCCO)c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000055244914 558877301 /nfs/dbraw/zinc/87/73/01/558877301.db2.gz LCPNDANJCQSZLQ-HSZRJFAPSA-N 1 1 414.565 3.973 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055576124 558883222 /nfs/dbraw/zinc/88/32/22/558883222.db2.gz BOIDZSPBIWRGQC-JOCHJYFZSA-N 1 1 415.559 3.595 50 0 HHAAMO CCOc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1OCC ZINC000004625986 558890165 /nfs/dbraw/zinc/89/01/65/558890165.db2.gz YQYJXBNOQHNTFQ-UHFFFAOYSA-N 1 1 424.545 3.778 50 0 HHAAMO O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058137996 558901243 /nfs/dbraw/zinc/90/12/43/558901243.db2.gz WEWNGWVUORVGAA-OAQYLSRUSA-N 1 1 422.504 3.979 50 0 HHAAMO Cc1ccc(CNC(=O)N[C@@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)c(C)c1 ZINC000058159191 558904375 /nfs/dbraw/zinc/90/43/75/558904375.db2.gz QZJSPFUSUSJKDE-DEOSSOPVSA-N 1 1 408.590 3.870 50 0 HHAAMO Cc1ccc(CNC(=O)N[C@@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)c(C)c1 ZINC000058159191 558904377 /nfs/dbraw/zinc/90/43/77/558904377.db2.gz QZJSPFUSUSJKDE-DEOSSOPVSA-N 1 1 408.590 3.870 50 0 HHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000058179822 558910098 /nfs/dbraw/zinc/91/00/98/558910098.db2.gz UMQFLSQQZSKJEN-LJQANCHMSA-N 1 1 413.949 3.834 50 0 HHAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000058315618 558919199 /nfs/dbraw/zinc/91/91/99/558919199.db2.gz SQKGSRLMKITFFQ-AWEZNQCLSA-N 1 1 406.313 3.943 50 0 HHAAMO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000058439130 558927381 /nfs/dbraw/zinc/92/73/81/558927381.db2.gz COROKTPUFIYLCT-QGZVFWFLSA-N 1 1 416.319 3.947 50 0 HHAAMO CCOC(=O)N1CCC(NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000059260268 558933094 /nfs/dbraw/zinc/93/30/94/558933094.db2.gz GRZOEIBKDZJVLN-UHFFFAOYSA-N 1 1 413.522 3.797 50 0 HHAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)N(C)CC(=O)NC(C)(C)C)C1CC1 ZINC000059985150 558940304 /nfs/dbraw/zinc/94/03/04/558940304.db2.gz YOQSAJXNBUIWCM-CQSZACIVSA-N 1 1 413.484 3.604 50 0 HHAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)N(C)CC(=O)NC(C)(C)C)C1CC1 ZINC000059985150 558940306 /nfs/dbraw/zinc/94/03/06/558940306.db2.gz YOQSAJXNBUIWCM-CQSZACIVSA-N 1 1 413.484 3.604 50 0 HHAAMO OCC[C@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000019595592 558946141 /nfs/dbraw/zinc/94/61/41/558946141.db2.gz HALIIDAOGDHSLF-QHCPKHFHSA-N 1 1 410.949 3.595 50 0 HHAAMO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011209672 558948919 /nfs/dbraw/zinc/94/89/19/558948919.db2.gz STSFYGMCYJGMIW-INIZCTEOSA-N 1 1 421.463 3.931 50 0 HHAAMO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011209672 558948921 /nfs/dbraw/zinc/94/89/21/558948921.db2.gz STSFYGMCYJGMIW-INIZCTEOSA-N 1 1 421.463 3.931 50 0 HHAAMO COCCn1c[nH+]cc1Cn1cnc(-c2ccccc2)c1-c1cccc2nonc21 ZINC000065425634 558977642 /nfs/dbraw/zinc/97/76/42/558977642.db2.gz MIQCUNPZARRRHY-UHFFFAOYSA-N 1 1 400.442 3.645 50 0 HHAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673275 558991066 /nfs/dbraw/zinc/99/10/66/558991066.db2.gz KEMOEUZWPIVOPM-IBGZPJMESA-N 1 1 400.906 3.918 50 0 HHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000067856486 558994000 /nfs/dbraw/zinc/99/40/00/558994000.db2.gz DBCNTGHMNPOGHK-SFHVURJKSA-N 1 1 409.452 3.965 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)c(C)c1C ZINC000076915992 558998053 /nfs/dbraw/zinc/99/80/53/558998053.db2.gz JWIVIFIBHNJUJD-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)c(C)c1C ZINC000076915992 558998055 /nfs/dbraw/zinc/99/80/55/558998055.db2.gz JWIVIFIBHNJUJD-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)c(C)c1C ZINC000076915992 558998057 /nfs/dbraw/zinc/99/80/57/558998057.db2.gz JWIVIFIBHNJUJD-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082086568 559036781 /nfs/dbraw/zinc/03/67/81/559036781.db2.gz BSHDCGMGLPAUMN-QFIPXVFZSA-N 1 1 409.574 3.623 50 0 HHAAMO CN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCCC1 ZINC000082092938 559037387 /nfs/dbraw/zinc/03/73/87/559037387.db2.gz ROHNCMGJKZNKHB-JOCHJYFZSA-N 1 1 412.622 3.939 50 0 HHAAMO CCC1(CC)CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000082106572 559038059 /nfs/dbraw/zinc/03/80/59/559038059.db2.gz LOHCNZQMOTXGAU-JOCHJYFZSA-N 1 1 412.622 3.797 50 0 HHAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000033318451 559055898 /nfs/dbraw/zinc/05/58/98/559055898.db2.gz QZAAQSBLTSADCR-UHFFFAOYSA-N 1 1 401.467 3.535 50 0 HHAAMO Cc1ccc(-c2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C(=O)c3ccccn3)C4)on2)cc1 ZINC000095361617 559080036 /nfs/dbraw/zinc/08/00/36/559080036.db2.gz XKJOQYYMJPNTOF-UYAOXDASSA-N 1 1 402.498 3.782 50 0 HHAAMO Cc1ccc(-c2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(C(=O)c3ccccn3)C4)on2)cc1 ZINC000095361617 559080038 /nfs/dbraw/zinc/08/00/38/559080038.db2.gz XKJOQYYMJPNTOF-UYAOXDASSA-N 1 1 402.498 3.782 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000095483173 559081353 /nfs/dbraw/zinc/08/13/53/559081353.db2.gz AWFJIZUVENTZOL-SFHVURJKSA-N 1 1 409.486 3.947 50 0 HHAAMO COc1cc(Cl)cc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1OC ZINC000097463733 559118787 /nfs/dbraw/zinc/11/87/87/559118787.db2.gz GLMPSZZIRBGOBQ-NRFANRHFSA-N 1 1 418.965 3.734 50 0 HHAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000100509724 559135992 /nfs/dbraw/zinc/13/59/92/559135992.db2.gz FNTHCIWHIAELJF-HXUWFJFHSA-N 1 1 424.497 3.796 50 0 HHAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014184889 559155133 /nfs/dbraw/zinc/15/51/33/559155133.db2.gz JQGUKSXXILITPF-GOSISDBHSA-N 1 1 409.530 3.561 50 0 HHAAMO COc1ccc(-c2cnc3ncnn3c2N2CCC([N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000023328341 559166804 /nfs/dbraw/zinc/16/68/04/559166804.db2.gz IZBAJOBXNXAQFL-QGZVFWFLSA-N 1 1 406.534 3.501 50 0 HHAAMO CCn1c(=O)cc(SCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004936634 559211902 /nfs/dbraw/zinc/21/19/02/559211902.db2.gz KDYBMDISUGSWQD-HDICACEKSA-N 1 1 415.603 3.598 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000005008512 559226961 /nfs/dbraw/zinc/22/69/61/559226961.db2.gz RGDYGGWHKGLMEX-UHFFFAOYSA-N 1 1 409.983 3.522 50 0 HHAAMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 ZINC000005007293 559227592 /nfs/dbraw/zinc/22/75/92/559227592.db2.gz MBSXRUSJFAEHRG-UHFFFAOYSA-N 1 1 400.548 3.772 50 0 HHAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000005190911 559291454 /nfs/dbraw/zinc/29/14/54/559291454.db2.gz MZZLRDPDGQKZTR-UHFFFAOYSA-N 1 1 403.573 3.654 50 0 HHAAMO CCC[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000005190911 559291455 /nfs/dbraw/zinc/29/14/55/559291455.db2.gz MZZLRDPDGQKZTR-UHFFFAOYSA-N 1 1 403.573 3.654 50 0 HHAAMO Cc1oc2cc(OC(=O)[C@@H]3CCC[NH2+]3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000061991177 560564686 /nfs/dbraw/zinc/56/46/86/560564686.db2.gz IIWUQMDYQWUJCW-SFHVURJKSA-N 1 1 421.449 3.587 50 0 biogenic HHAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@H+]1CCCC[C@H]1CC ZINC000005478285 560595141 /nfs/dbraw/zinc/59/51/41/560595141.db2.gz QRVLGIRAXSUGRT-OAHLLOKOSA-N 1 1 401.507 3.946 50 0 HHAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CC)c2cc(OC)ccc2n1C ZINC000005490237 560598077 /nfs/dbraw/zinc/59/80/77/560598077.db2.gz NEMWHDCVHYOYMG-OAHLLOKOSA-N 1 1 401.507 3.567 50 0 HHAAMO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000062580218 560631366 /nfs/dbraw/zinc/63/13/66/560631366.db2.gz LXKCQKVOSDGJJO-OAQYLSRUSA-N 1 1 420.431 3.828 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000047186835 560884215 /nfs/dbraw/zinc/88/42/15/560884215.db2.gz VXJFYRAGMPXLEE-SFHVURJKSA-N 1 1 418.541 3.547 50 0 HHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000106922255 560894392 /nfs/dbraw/zinc/89/43/92/560894392.db2.gz OXMJVAXFVCTJCV-RPRJQXISSA-N 1 1 409.618 3.914 50 0 HHAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022908145 568416294 /nfs/dbraw/zinc/41/62/94/568416294.db2.gz ZEOLNLUWEIZPFI-OAQYLSRUSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022908145 568416296 /nfs/dbraw/zinc/41/62/96/568416296.db2.gz ZEOLNLUWEIZPFI-OAQYLSRUSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000048237265 568433064 /nfs/dbraw/zinc/43/30/64/568433064.db2.gz KUOCNCOUOVNCKA-MRXNPFEDSA-N 1 1 402.564 3.912 50 0 HHAAMO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)no1 ZINC000048237263 568433088 /nfs/dbraw/zinc/43/30/88/568433088.db2.gz KUOCNCOUOVNCKA-INIZCTEOSA-N 1 1 402.564 3.912 50 0 HHAAMO O=C(Nc1ccc(F)cc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000048452842 568442832 /nfs/dbraw/zinc/44/28/32/568442832.db2.gz ZZYUJUWNZUMRGF-UHFFFAOYSA-N 1 1 406.299 3.980 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2cccs2)C1 ZINC000048886576 568443505 /nfs/dbraw/zinc/44/35/05/568443505.db2.gz ZKOHPONMMDNOKS-HDICACEKSA-N 1 1 413.587 3.614 50 0 HHAAMO CCCOc1c(Cl)cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000021052230 568461098 /nfs/dbraw/zinc/46/10/98/568461098.db2.gz CLQSXGGILKTWBE-HUUCEWRRSA-N 1 1 412.958 3.755 50 0 HHAAMO CCc1nn2c(nc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)cc2=O)s1 ZINC000006978728 568465816 /nfs/dbraw/zinc/46/58/16/568465816.db2.gz IPGOMJYZMMYEEP-UHFFFAOYSA-N 1 1 411.556 3.703 50 0 HHAAMO C[C@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288507 568597884 /nfs/dbraw/zinc/59/78/84/568597884.db2.gz VAOBONOYLFKBSP-PGRDOPGGSA-N 1 1 406.555 3.825 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000020609995 568636874 /nfs/dbraw/zinc/63/68/74/568636874.db2.gz MMZHVMRZTVKFPH-UHFFFAOYSA-N 1 1 414.509 3.835 50 0 biogenic HHAAMO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762950 568642640 /nfs/dbraw/zinc/64/26/40/568642640.db2.gz AHIUEMBECMBWDH-XLIONFOSSA-N 1 1 411.550 3.685 50 0 biogenic HHAAMO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762596 568642762 /nfs/dbraw/zinc/64/27/62/568642762.db2.gz RTSCTICDMHXMOB-NQIIRXRSSA-N 1 1 409.578 3.711 50 0 biogenic HHAAMO COC(=O)c1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020927323 568651551 /nfs/dbraw/zinc/65/15/51/568651551.db2.gz KXTRJKDRMBFKGO-UHFFFAOYSA-N 1 1 424.526 3.635 50 0 HHAAMO COc1ccc(-c2noc(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000021158350 568674025 /nfs/dbraw/zinc/67/40/25/568674025.db2.gz YKTVFCQLHXMICV-UHFFFAOYSA-N 1 1 413.909 3.633 50 0 HHAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1)NCc1ccccc1Cl ZINC000096024438 568685942 /nfs/dbraw/zinc/68/59/42/568685942.db2.gz BDSUHVJUNGGEEN-UHFFFAOYSA-N 1 1 416.934 3.947 50 0 HHAAMO O=C(Cn1ccc2cc(Br)ccc21)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000226834481 568697994 /nfs/dbraw/zinc/69/79/94/568697994.db2.gz SQCUUNGZPMCNPU-AEFFLSMTSA-N 1 1 404.352 3.785 50 0 HHAAMO Cc1cc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)nn1C ZINC000096183705 568703092 /nfs/dbraw/zinc/70/30/92/568703092.db2.gz IWELUDVCTFXHBD-DEOSSOPVSA-N 1 1 402.542 3.893 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000014185077 568719722 /nfs/dbraw/zinc/71/97/22/568719722.db2.gz CIUAZHNDAIVYBK-DNVCBOLYSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000014185077 568719726 /nfs/dbraw/zinc/71/97/26/568719726.db2.gz CIUAZHNDAIVYBK-DNVCBOLYSA-N 1 1 421.522 3.816 50 0 HHAAMO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000012421907 568720986 /nfs/dbraw/zinc/72/09/86/568720986.db2.gz LQRPGLJCRGJRBQ-OAQYLSRUSA-N 1 1 406.526 3.970 50 0 HHAAMO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000012421907 568720988 /nfs/dbraw/zinc/72/09/88/568720988.db2.gz LQRPGLJCRGJRBQ-OAQYLSRUSA-N 1 1 406.526 3.970 50 0 HHAAMO CCC[NH+]1CCN(C(=O)CSCc2nc3cccnc3n2C2CCCCC2)CC1 ZINC000021650938 568729053 /nfs/dbraw/zinc/72/90/53/568729053.db2.gz UTOKVPGCZWLGHB-UHFFFAOYSA-N 1 1 415.607 3.724 50 0 HHAAMO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000241961296 568732077 /nfs/dbraw/zinc/73/20/77/568732077.db2.gz URFDUVCMOHCUIW-UHFFFAOYSA-N 1 1 401.938 3.519 50 0 HHAAMO COc1ccccc1CN(C)C(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000241961296 568732080 /nfs/dbraw/zinc/73/20/80/568732080.db2.gz URFDUVCMOHCUIW-UHFFFAOYSA-N 1 1 401.938 3.519 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039139 568748057 /nfs/dbraw/zinc/74/80/57/568748057.db2.gz REOVTUUOYPDTGE-QGZVFWFLSA-N 1 1 401.938 3.944 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039139 568748058 /nfs/dbraw/zinc/74/80/58/568748058.db2.gz REOVTUUOYPDTGE-QGZVFWFLSA-N 1 1 401.938 3.944 50 0 HHAAMO COc1ccccc1C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000021793919 568753198 /nfs/dbraw/zinc/75/31/98/568753198.db2.gz FSJNAUONVILEBQ-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000000974464 568759297 /nfs/dbraw/zinc/75/92/97/568759297.db2.gz MNQFQRLZGRUFDG-JOCHJYFZSA-N 1 1 417.513 3.735 50 0 HHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000096562186 568760237 /nfs/dbraw/zinc/76/02/37/568760237.db2.gz LSKQHNKOLJTEPH-MGPUTAFESA-N 1 1 402.336 3.627 50 0 HHAAMO COc1cccc(NC(=O)[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)c1 ZINC000057024589 568823500 /nfs/dbraw/zinc/82/35/00/568823500.db2.gz LUSWSHSOKBVMNX-REWPJTCUSA-N 1 1 404.466 3.805 50 0 HHAAMO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)c2C)no1 ZINC000057358798 568827542 /nfs/dbraw/zinc/82/75/42/568827542.db2.gz XMYNKFXMRFRSHE-UHFFFAOYSA-N 1 1 420.513 3.924 50 0 HHAAMO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccc(Cl)c2)C1C(=O)OC ZINC000057415033 568833810 /nfs/dbraw/zinc/83/38/10/568833810.db2.gz HMPAZDFROMUKQO-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccc(Cl)c2)C1C(=O)OC ZINC000057415033 568833811 /nfs/dbraw/zinc/83/38/11/568833811.db2.gz HMPAZDFROMUKQO-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000057415033 568833813 /nfs/dbraw/zinc/83/38/13/568833813.db2.gz HMPAZDFROMUKQO-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2)NC(=O)N1 ZINC000057415033 568833816 /nfs/dbraw/zinc/83/38/16/568833816.db2.gz HMPAZDFROMUKQO-FQEVSTJZSA-N 1 1 413.905 3.643 50 0 HHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310324 568871860 /nfs/dbraw/zinc/87/18/60/568871860.db2.gz ZZSQMFHFTVIADH-YLJYHZDGSA-N 1 1 410.514 3.871 50 0 HHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310324 568871862 /nfs/dbraw/zinc/87/18/62/568871862.db2.gz ZZSQMFHFTVIADH-YLJYHZDGSA-N 1 1 410.514 3.871 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052985 568872290 /nfs/dbraw/zinc/87/22/90/568872290.db2.gz ZQODDIMANSGQIW-SCRDCRAPSA-N 1 1 421.173 3.929 50 0 HHAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052994 568872293 /nfs/dbraw/zinc/87/22/93/568872293.db2.gz MHLQXVOWVVZPPS-AAEUAGOBSA-N 1 1 407.146 3.826 50 0 HHAAMO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000015671325 568961848 /nfs/dbraw/zinc/96/18/48/568961848.db2.gz LQSWOBXNLRRMDE-UHFFFAOYSA-N 1 1 411.531 3.958 50 0 HHAAMO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)O2 ZINC000005069951 568976259 /nfs/dbraw/zinc/97/62/59/568976259.db2.gz GHYLIXUYOIGJSH-JOCHJYFZSA-N 1 1 409.530 3.502 50 0 HHAAMO COc1ccc(CC[N@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000008212752 568982736 /nfs/dbraw/zinc/98/27/36/568982736.db2.gz OSPADHSJDPBQEO-UHFFFAOYSA-N 1 1 409.486 3.780 50 0 HHAAMO COc1ccc(CC[N@@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000008212752 568982738 /nfs/dbraw/zinc/98/27/38/568982738.db2.gz OSPADHSJDPBQEO-UHFFFAOYSA-N 1 1 409.486 3.780 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1C ZINC000008324097 568990771 /nfs/dbraw/zinc/99/07/71/568990771.db2.gz MRYBUACIYCVBKM-HIFRSBDPSA-N 1 1 400.475 3.501 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000015779681 569002002 /nfs/dbraw/zinc/00/20/02/569002002.db2.gz WKINFSAZZPJLIJ-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000015779681 569002004 /nfs/dbraw/zinc/00/20/04/569002004.db2.gz WKINFSAZZPJLIJ-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO CC(C)Sc1ccc(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000038589134 569002189 /nfs/dbraw/zinc/00/21/89/569002189.db2.gz RYSYVZJKAXDOQZ-UHFFFAOYSA-N 1 1 415.578 3.807 50 0 HHAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)c1 ZINC000104379502 569008486 /nfs/dbraw/zinc/00/84/86/569008486.db2.gz XOEVNSNSUCFBOV-HXUWFJFHSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)c1 ZINC000104379502 569008487 /nfs/dbraw/zinc/00/84/87/569008487.db2.gz XOEVNSNSUCFBOV-HXUWFJFHSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)c1 ZINC000104379502 569008488 /nfs/dbraw/zinc/00/84/88/569008488.db2.gz XOEVNSNSUCFBOV-HXUWFJFHSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)c1 ZINC000104379502 569008489 /nfs/dbraw/zinc/00/84/89/569008489.db2.gz XOEVNSNSUCFBOV-HXUWFJFHSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1C ZINC000104459126 569008596 /nfs/dbraw/zinc/00/85/96/569008596.db2.gz IDSPXTPRHQLSJC-OAQYLSRUSA-N 1 1 400.588 3.794 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1 ZINC000104469133 569008849 /nfs/dbraw/zinc/00/88/49/569008849.db2.gz PZCSKNDBULZYLA-HSZRJFAPSA-N 1 1 408.521 3.593 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000015971542 569025243 /nfs/dbraw/zinc/02/52/43/569025243.db2.gz ZAWMPHYQFCUMKA-ICSGCJEQSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000015971542 569025244 /nfs/dbraw/zinc/02/52/44/569025244.db2.gz ZAWMPHYQFCUMKA-ICSGCJEQSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000016027007 569026634 /nfs/dbraw/zinc/02/66/34/569026634.db2.gz XELZJZRNKWSHBN-WEBUEUPWSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(OCC[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016046978 569028272 /nfs/dbraw/zinc/02/82/72/569028272.db2.gz OGVLTDIUNIYKSJ-UHFFFAOYSA-N 1 1 404.510 3.912 50 0 HHAAMO COc1ccc(OCC[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016046978 569028273 /nfs/dbraw/zinc/02/82/73/569028273.db2.gz OGVLTDIUNIYKSJ-UHFFFAOYSA-N 1 1 404.510 3.912 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000035399191 569035274 /nfs/dbraw/zinc/03/52/74/569035274.db2.gz ZCVFIAICCPPNNS-IBGZPJMESA-N 1 1 406.615 3.512 50 0 HHAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1 ZINC000035528934 569044119 /nfs/dbraw/zinc/04/41/19/569044119.db2.gz ZNABAHLASUKEKO-UHFFFAOYSA-N 1 1 422.573 3.959 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385583 569052250 /nfs/dbraw/zinc/05/22/50/569052250.db2.gz MEZUOHRSBTYQEF-HSZRJFAPSA-N 1 1 418.541 3.646 50 0 HHAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000089478756 569061066 /nfs/dbraw/zinc/06/10/66/569061066.db2.gz PVYNDJLJJZVXHU-QGZVFWFLSA-N 1 1 419.525 3.979 50 0 HHAAMO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000089478756 569061067 /nfs/dbraw/zinc/06/10/67/569061067.db2.gz PVYNDJLJJZVXHU-QGZVFWFLSA-N 1 1 419.525 3.979 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cnc(-c3cccc(C)c3)nc2N(C)c2ccccc2)CC1 ZINC000035988756 569074341 /nfs/dbraw/zinc/07/43/41/569074341.db2.gz YTTOKFXIIMHRPY-UHFFFAOYSA-N 1 1 415.541 3.998 50 0 HHAAMO C[N@@H+]1C[C@H](c2cccs2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036038354 569080344 /nfs/dbraw/zinc/08/03/44/569080344.db2.gz KREXOOXCKFMSFM-CQLNOVPUSA-N 1 1 416.502 3.886 50 0 HHAAMO C[N@H+]1C[C@H](c2cccs2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000036038354 569080345 /nfs/dbraw/zinc/08/03/45/569080345.db2.gz KREXOOXCKFMSFM-CQLNOVPUSA-N 1 1 416.502 3.886 50 0 HHAAMO COCCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097206 569090274 /nfs/dbraw/zinc/09/02/74/569090274.db2.gz HZSIGRCNSKUDIZ-LJQANCHMSA-N 1 1 423.937 3.636 50 0 HHAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102559 569092055 /nfs/dbraw/zinc/09/20/55/569092055.db2.gz QSXKVNGHHPSOIW-NRFANRHFSA-N 1 1 409.457 3.997 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145908 569098628 /nfs/dbraw/zinc/09/86/28/569098628.db2.gz WYVCMRDEPCENNA-YADHBBJMSA-N 1 1 414.521 3.997 50 0 HHAAMO CC[C@@H](C)[N@@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724928 569100759 /nfs/dbraw/zinc/10/07/59/569100759.db2.gz OHHRDNBXMRTJGU-QGZVFWFLSA-N 1 1 410.518 3.944 50 0 HHAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)Cc1ccccc1 ZINC000036158653 569102463 /nfs/dbraw/zinc/10/24/63/569102463.db2.gz ISIPHFQHICBCHV-KRWDZBQOSA-N 1 1 411.571 3.679 50 0 HHAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)Cc1ccccc1 ZINC000036158653 569102464 /nfs/dbraw/zinc/10/24/64/569102464.db2.gz ISIPHFQHICBCHV-KRWDZBQOSA-N 1 1 411.571 3.679 50 0 HHAAMO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)c1 ZINC000036250317 569119369 /nfs/dbraw/zinc/11/93/69/569119369.db2.gz UTMOWPKNDITXLA-NZQKXSOJSA-N 1 1 411.590 3.713 50 0 HHAAMO O=C(Nc1ccc(F)cc1)N1CC[NH+]([C@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036310762 569131969 /nfs/dbraw/zinc/13/19/69/569131969.db2.gz SCAVFGYJKNBBHE-NRFANRHFSA-N 1 1 416.541 3.547 50 0 HHAAMO CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000036313481 569133554 /nfs/dbraw/zinc/13/35/54/569133554.db2.gz SSNOHEVKWGRLIQ-UHFFFAOYSA-N 1 1 410.562 3.878 50 0 HHAAMO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036340909 569141616 /nfs/dbraw/zinc/14/16/16/569141616.db2.gz FPQVHYBKIGPQLL-JOCHJYFZSA-N 1 1 410.949 3.574 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989578 569145976 /nfs/dbraw/zinc/14/59/76/569145976.db2.gz YIJAFKWUBGUOBK-LJQANCHMSA-N 1 1 407.562 3.738 50 0 HHAAMO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000036390353 569165404 /nfs/dbraw/zinc/16/54/04/569165404.db2.gz OQBALKUILJPXBY-ZACQAIPSSA-N 1 1 400.494 3.935 50 0 HHAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)CC1 ZINC000065200581 569193807 /nfs/dbraw/zinc/19/38/07/569193807.db2.gz VNIBEABKLMLFGH-UHFFFAOYSA-N 1 1 418.994 3.991 50 0 HHAAMO CC(=O)Nc1ccc(NC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000065210804 569196266 /nfs/dbraw/zinc/19/62/66/569196266.db2.gz HDVYIRMMJYMOSR-UHFFFAOYSA-N 1 1 402.498 3.794 50 0 HHAAMO CC(=O)Nc1ccc(NC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000065210804 569196268 /nfs/dbraw/zinc/19/62/68/569196268.db2.gz HDVYIRMMJYMOSR-UHFFFAOYSA-N 1 1 402.498 3.794 50 0 HHAAMO CS(=O)(=O)c1ccc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065562898 569234233 /nfs/dbraw/zinc/23/42/33/569234233.db2.gz YAINFAPMICSATK-HXUWFJFHSA-N 1 1 414.552 3.787 50 0 HHAAMO CS(=O)(=O)c1ccc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065562898 569234234 /nfs/dbraw/zinc/23/42/34/569234234.db2.gz YAINFAPMICSATK-HXUWFJFHSA-N 1 1 414.552 3.787 50 0 HHAAMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000170597467 569242137 /nfs/dbraw/zinc/24/21/37/569242137.db2.gz FLBPPPZJVZBPKC-GOTSBHOMSA-N 1 1 423.557 3.691 50 0 HHAAMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000170601578 569243180 /nfs/dbraw/zinc/24/31/80/569243180.db2.gz CIJWEBHZLAOZOK-UHFFFAOYSA-N 1 1 415.456 3.621 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007587830 569283542 /nfs/dbraw/zinc/28/35/42/569283542.db2.gz RUOAGGNHMSYGST-PBHICJAKSA-N 1 1 407.440 3.879 50 0 HHAAMO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@H]3CCCN3C(C)=O)o2)cc1 ZINC000252477544 569288527 /nfs/dbraw/zinc/28/85/27/569288527.db2.gz QLZSJWNOJVEJFI-LEWJYISDSA-N 1 1 412.534 3.891 50 0 HHAAMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(Cc4cccs4)CC3)CC2)n1 ZINC000252501909 569291222 /nfs/dbraw/zinc/29/12/22/569291222.db2.gz ULHLRDJNOBCHHS-UHFFFAOYSA-N 1 1 410.509 3.949 50 0 HHAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000253486857 569381826 /nfs/dbraw/zinc/38/18/26/569381826.db2.gz AGLNKEZIHIEECV-IMRHEYAYSA-N 1 1 407.558 3.994 50 0 HHAAMO COC(=O)c1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000055182723 569392587 /nfs/dbraw/zinc/39/25/87/569392587.db2.gz XFTGIUVHKCGTJK-JOCHJYFZSA-N 1 1 410.558 3.868 50 0 HHAAMO O=S(=O)(c1ccc(Cl)nc1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078967328 569422222 /nfs/dbraw/zinc/42/22/22/569422222.db2.gz CSUIXBQUEBJIKX-UHFFFAOYSA-N 1 1 419.978 3.944 50 0 HHAAMO O=S(=O)(c1ccc(Cl)nc1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078967328 569422224 /nfs/dbraw/zinc/42/22/24/569422224.db2.gz CSUIXBQUEBJIKX-UHFFFAOYSA-N 1 1 419.978 3.944 50 0 HHAAMO COc1cc2[nH]c(CCCNC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc2c(OC)c1 ZINC000079057534 569426088 /nfs/dbraw/zinc/42/60/88/569426088.db2.gz WWVQECINBNKJTD-QGZVFWFLSA-N 1 1 421.541 3.681 50 0 HHAAMO COc1cc2[nH]c(CCCNC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)cc2c(OC)c1 ZINC000079057534 569426089 /nfs/dbraw/zinc/42/60/89/569426089.db2.gz WWVQECINBNKJTD-QGZVFWFLSA-N 1 1 421.541 3.681 50 0 HHAAMO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c12 ZINC000079190497 569429211 /nfs/dbraw/zinc/42/92/11/569429211.db2.gz FKPCXJVUIYQVBY-SIKLNZKXSA-N 1 1 417.557 3.938 50 0 biogenic HHAAMO C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533059 571075194 /nfs/dbraw/zinc/07/51/94/571075194.db2.gz JMJZSTXSMXIDKQ-MRXNPFEDSA-N 1 1 422.554 3.890 50 0 HHAAMO CC[C@@](C)(CNC(=O)Nc1ccccc1SCC(F)(F)F)[NH+]1CCOCC1 ZINC000040104418 571165289 /nfs/dbraw/zinc/16/52/89/571165289.db2.gz SRUUOFSFDXSMRS-KRWDZBQOSA-N 1 1 405.486 3.963 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)Nc1cccc(Cl)c1 ZINC000040135414 571188427 /nfs/dbraw/zinc/18/84/27/571188427.db2.gz HGJBAUMJQDIIIP-UHFFFAOYSA-N 1 1 422.312 3.988 50 0 HHAAMO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)SCCO1 ZINC000009115278 571224215 /nfs/dbraw/zinc/22/42/15/571224215.db2.gz MDIABGCDXNQEAE-INIZCTEOSA-N 1 1 417.575 3.614 50 0 HHAAMO COc1ccc(-n2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000009433773 571258631 /nfs/dbraw/zinc/25/86/31/571258631.db2.gz MYHKXXARHDPVAU-SFHVURJKSA-N 1 1 419.525 3.604 50 0 HHAAMO Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000011821113 962199376 /nfs/dbraw/zinc/19/93/76/962199376.db2.gz NSEWHNYXGGHLRF-FGZHOGPDSA-N 1 1 412.965 3.634 50 0 HHAAMO C[C@@]1(C2CC[NH+](Cc3ccc(F)cc3F)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012034872 962224833 /nfs/dbraw/zinc/22/48/33/962224833.db2.gz CAARTPJLZAEQLS-NRFANRHFSA-N 1 1 419.497 3.749 50 0 HHAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012056109 962231217 /nfs/dbraw/zinc/23/12/17/962231217.db2.gz MKRVPXIFQNTXNH-HXUWFJFHSA-N 1 1 417.509 3.953 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000012112097 962242470 /nfs/dbraw/zinc/24/24/70/962242470.db2.gz VAQFHYQQIMVYPT-OAQYLSRUSA-N 1 1 419.997 3.502 50 0 HHAAMO COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012297987 962266388 /nfs/dbraw/zinc/26/63/88/962266388.db2.gz HCGCPEARIYQGAH-INIZCTEOSA-N 1 1 410.967 3.535 50 0 HHAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(O)c(Cl)c3)[N@H+]3CCC[C@@]23C1=O ZINC000012299151 962267374 /nfs/dbraw/zinc/26/73/74/962267374.db2.gz FPVFUTWVQPGHPI-LTMIRXACSA-N 1 1 412.917 3.992 50 0 HHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000012306329 962268469 /nfs/dbraw/zinc/26/84/69/962268469.db2.gz ZCUMKJZEGNTIHV-KRWDZBQOSA-N 1 1 411.930 3.549 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)c1[nH]nc2ccccc21 ZINC000012317232 962270175 /nfs/dbraw/zinc/27/01/75/962270175.db2.gz KXDGRJDPJUCYBU-HNNXBMFYSA-N 1 1 405.527 3.815 50 0 HHAAMO Cc1cc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)c(C)cc1Cl ZINC000012434546 962278523 /nfs/dbraw/zinc/27/85/23/962278523.db2.gz LAPZPUGWSBIQQC-LJQANCHMSA-N 1 1 421.994 3.679 50 0 HHAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463583 962283705 /nfs/dbraw/zinc/28/37/05/962283705.db2.gz QFZXDRNGHJGDHT-DEOSSOPVSA-N 1 1 405.521 3.895 50 0 HHAAMO Fc1ccc(CN2CCC[C@]3(CC[N@H+](Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463583 962283720 /nfs/dbraw/zinc/28/37/20/962283720.db2.gz QFZXDRNGHJGDHT-DEOSSOPVSA-N 1 1 405.521 3.895 50 0 HHAAMO Fc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463583 962283736 /nfs/dbraw/zinc/28/37/36/962283736.db2.gz QFZXDRNGHJGDHT-DEOSSOPVSA-N 1 1 405.521 3.895 50 0 HHAAMO O=C(c1ncoc1C1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012458014 962284501 /nfs/dbraw/zinc/28/45/01/962284501.db2.gz ILPIETSFYISEFB-JOCHJYFZSA-N 1 1 401.457 3.959 50 0 HHAAMO O=C(c1ncoc1C1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012458014 962284513 /nfs/dbraw/zinc/28/45/13/962284513.db2.gz ILPIETSFYISEFB-JOCHJYFZSA-N 1 1 401.457 3.959 50 0 HHAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 ZINC000012470205 962285968 /nfs/dbraw/zinc/28/59/68/962285968.db2.gz BUOAUVZTDOBLNV-IHHMQQGQSA-N 1 1 412.555 3.828 50 0 HHAAMO COc1ncc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000012596614 962298913 /nfs/dbraw/zinc/29/89/13/962298913.db2.gz OBSPHOBRTDVXET-XMMPIXPASA-N 1 1 408.546 3.737 50 0 HHAAMO COc1cccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)c1 ZINC000012592873 962299597 /nfs/dbraw/zinc/29/95/97/962299597.db2.gz IYWBMJILHBWYLK-UHFFFAOYSA-N 1 1 400.526 3.963 50 0 HHAAMO CCn1cc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c(C)n1 ZINC000012708724 962315868 /nfs/dbraw/zinc/31/58/68/962315868.db2.gz BWGASRSRGOFNDJ-NRFANRHFSA-N 1 1 410.606 3.539 50 0 HHAAMO O[C@@H](COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2)CN1CCSCC1 ZINC000012705397 962316240 /nfs/dbraw/zinc/31/62/40/962316240.db2.gz CCUVHGMOYRDOLW-GPUVRGFBSA-N 1 1 416.631 3.534 50 0 HHAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCC1=CCCCC1 ZINC000012749283 962324664 /nfs/dbraw/zinc/32/46/64/962324664.db2.gz UMEZBMHFCGDTSN-HSZRJFAPSA-N 1 1 405.542 3.537 50 0 HHAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCC1=CCCCC1 ZINC000012749283 962324676 /nfs/dbraw/zinc/32/46/76/962324676.db2.gz UMEZBMHFCGDTSN-HSZRJFAPSA-N 1 1 405.542 3.537 50 0 HHAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 ZINC000014748277 962567911 /nfs/dbraw/zinc/56/79/11/962567911.db2.gz PUNKYBXDPMHCBG-KRWDZBQOSA-N 1 1 406.530 3.803 50 0 HHAAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000014956173 962613209 /nfs/dbraw/zinc/61/32/09/962613209.db2.gz JUQFRAIWUIMGAX-INIZCTEOSA-N 1 1 405.951 3.728 50 0 HHAAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000014956173 962613215 /nfs/dbraw/zinc/61/32/15/962613215.db2.gz JUQFRAIWUIMGAX-INIZCTEOSA-N 1 1 405.951 3.728 50 0 HHAAMO Cc1cc(C(=O)NC[C@H](C)Oc2cccc(C[N@@H+](C)Cc3ccsc3)c2)n(C)n1 ZINC000014959019 962614748 /nfs/dbraw/zinc/61/47/48/962614748.db2.gz KTLAPJWRTHQCGA-KRWDZBQOSA-N 1 1 412.559 3.619 50 0 HHAAMO Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3ccsc3)c2)n(C)n1 ZINC000014959023 962615033 /nfs/dbraw/zinc/61/50/33/962615033.db2.gz KTLAPJWRTHQCGA-QGZVFWFLSA-N 1 1 412.559 3.619 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4nccn4C)C3)cc2)c1 ZINC000015065537 962644642 /nfs/dbraw/zinc/64/46/42/962644642.db2.gz MZZVNPBWTWSPEF-HXUWFJFHSA-N 1 1 404.514 3.946 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4nccn4C)C3)cc2)c1 ZINC000015065537 962644651 /nfs/dbraw/zinc/64/46/51/962644651.db2.gz MZZVNPBWTWSPEF-HXUWFJFHSA-N 1 1 404.514 3.946 50 0 HHAAMO Cc1ccccc1CNC(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000019113973 963349355 /nfs/dbraw/zinc/34/93/55/963349355.db2.gz XHVFYUKHKRSOFA-UHFFFAOYSA-N 1 1 421.585 3.862 50 0 HHAAMO O=C(NC1CCCC1)c1cn([C@@H]2CCC[N@@H+](C/C(Cl)=C/c3ccccc3)C2)nn1 ZINC000020351402 963387059 /nfs/dbraw/zinc/38/70/59/963387059.db2.gz DWXILIHFNWOJQA-MTGKDYNDSA-N 1 1 413.953 3.867 50 0 HHAAMO O=C(NC1CCCC1)c1cn([C@@H]2CCC[N@H+](C/C(Cl)=C/c3ccccc3)C2)nn1 ZINC000020351402 963387070 /nfs/dbraw/zinc/38/70/70/963387070.db2.gz DWXILIHFNWOJQA-MTGKDYNDSA-N 1 1 413.953 3.867 50 0 HHAAMO COc1ccc(-c2noc(C[N@H+]3CC[C@@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC ZINC000020994948 963410889 /nfs/dbraw/zinc/41/08/89/963410889.db2.gz CBIPHGRENOYLIG-OAHLLOKOSA-N 1 1 413.449 3.891 50 0 HHAAMO Cn1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000022852998 963729286 /nfs/dbraw/zinc/72/92/86/963729286.db2.gz UQECSUXYMZJBMK-RUZDIDTESA-N 1 1 418.585 3.589 50 0 HHAAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000055325164 965818144 /nfs/dbraw/zinc/81/81/44/965818144.db2.gz HFHVUMHYWXULLZ-KRWDZBQOSA-N 1 1 402.564 3.837 50 0 HHAAMO O=C(c1ccoc1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055370886 965833412 /nfs/dbraw/zinc/83/34/12/965833412.db2.gz SROPDRULSDXHKJ-IBGZPJMESA-N 1 1 407.436 3.725 50 0 HHAAMO COc1cccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1OC(F)F ZINC000098001763 969183646 /nfs/dbraw/zinc/18/36/46/969183646.db2.gz BSUVPYGAVYPETB-JYBLJSLWSA-N 1 1 402.441 3.825 50 0 HHAAMO COc1cccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1OC(F)F ZINC000098001763 969183651 /nfs/dbraw/zinc/18/36/51/969183651.db2.gz BSUVPYGAVYPETB-JYBLJSLWSA-N 1 1 402.441 3.825 50 0 HHAAMO Cc1ccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2cccs2)cc1 ZINC000101215046 969195580 /nfs/dbraw/zinc/19/55/80/969195580.db2.gz YKIABGDNPRUMTP-UHFFFAOYSA-N 1 1 402.633 3.893 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)NC3CC3)C2)c(OC)c1 ZINC000169775434 970478298 /nfs/dbraw/zinc/47/82/98/970478298.db2.gz LNNCLLMEPFWAEH-SFHVURJKSA-N 1 1 424.541 3.887 50 0 HHAAMO O=C(c1ccncc1)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779208 970479507 /nfs/dbraw/zinc/47/95/07/970479507.db2.gz ZNVXZGACTCXWII-HSZRJFAPSA-N 1 1 405.542 3.900 50 0 HHAAMO Cc1noc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)CCCc2c[nH]c4ccccc24)CC3)n1 ZINC000169787174 970482053 /nfs/dbraw/zinc/48/20/53/970482053.db2.gz JWDOELRSIYBCSH-OAQYLSRUSA-N 1 1 421.545 3.868 50 0 HHAAMO Cc1noc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)CCCc2c[nH]c4ccccc24)CC3)n1 ZINC000169787174 970482054 /nfs/dbraw/zinc/48/20/54/970482054.db2.gz JWDOELRSIYBCSH-OAQYLSRUSA-N 1 1 421.545 3.868 50 0 HHAAMO CC[N@@H+](CCNC(=O)[C@@]12CCC=C1N(C1CCCC1)C(=O)CC2)Cc1ccccc1 ZINC000169788444 970483183 /nfs/dbraw/zinc/48/31/83/970483183.db2.gz AEWQJEBDDJWDGF-RUZDIDTESA-N 1 1 409.574 3.854 50 0 HHAAMO CN1CCCCC[C@@H](O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000257180503 970618966 /nfs/dbraw/zinc/61/89/66/970618966.db2.gz DQDXZLKMLCYMOH-XMMPIXPASA-N 1 1 407.558 3.688 50 0 HHAAMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C)C31CCN(C(=O)c2ccccc2F)CC1 ZINC000257195985 970626040 /nfs/dbraw/zinc/62/60/40/970626040.db2.gz XHOMZLQRPMLIDY-UHFFFAOYSA-N 1 1 407.489 3.935 50 0 HHAAMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C)C31CCN(C(=O)c2ccccc2F)CC1 ZINC000257195985 970626075 /nfs/dbraw/zinc/62/60/75/970626075.db2.gz XHOMZLQRPMLIDY-UHFFFAOYSA-N 1 1 407.489 3.935 50 0 HHAAMO O=S(=O)(c1ccc(F)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000001426335 132245965 /nfs/dbraw/zinc/24/59/65/132245965.db2.gz IPNRSHGALMZCND-UHFFFAOYSA-N 1 1 405.882 3.538 50 0 HHAAMO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004917841 132294262 /nfs/dbraw/zinc/29/42/62/132294262.db2.gz GDYYOZDPDCUPME-CALCHBBNSA-N 1 1 412.530 3.839 50 0 HHAAMO O[C@@H](COc1ccc2oc3ccccc3c2c1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006455280 132311170 /nfs/dbraw/zinc/31/11/70/132311170.db2.gz BPHRRBAOCLNPQP-GOSISDBHSA-N 1 1 403.482 3.543 50 0 HHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000006857500 132319190 /nfs/dbraw/zinc/31/91/90/132319190.db2.gz VEXQAPPQCYVQTI-HDICACEKSA-N 1 1 403.592 3.675 50 0 HHAAMO Cc1ccc(NC(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1 ZINC000011694509 132349257 /nfs/dbraw/zinc/34/92/57/132349257.db2.gz RTLBEYDMFFHWNS-UHFFFAOYSA-N 1 1 402.502 3.848 50 0 HHAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000033086055 132503209 /nfs/dbraw/zinc/50/32/09/132503209.db2.gz HUTRWAWOUKHASB-UHFFFAOYSA-N 1 1 415.419 3.653 50 0 HHAAMO CC(=O)N[C@H](CC(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1)c1cccs1 ZINC000032885691 519697127 /nfs/dbraw/zinc/69/71/27/519697127.db2.gz AYJZHFHGXPLLDY-GRDNDAEWSA-N 1 1 420.604 3.889 50 0 HHAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(COc5ccccc5OC)nc4c23)C1 ZINC000020566338 519863606 /nfs/dbraw/zinc/86/36/06/519863606.db2.gz XFKLYBYZFGZUDE-UHFFFAOYSA-N 1 1 409.515 3.695 50 0 HHAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(COc5ccccc5OC)nc4c23)C1 ZINC000020566338 519863607 /nfs/dbraw/zinc/86/36/07/519863607.db2.gz XFKLYBYZFGZUDE-UHFFFAOYSA-N 1 1 409.515 3.695 50 0 HHAAMO CCC(=O)Nc1nc2ccc(CCC(=O)NCC[N@@H+](C)Cc3ccccc3)cc2s1 ZINC000032959480 521230869 /nfs/dbraw/zinc/23/08/69/521230869.db2.gz HXZCFKOTRVRRTL-UHFFFAOYSA-N 1 1 424.570 3.826 50 0 HHAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCc2ccccc21 ZINC000029485918 522497516 /nfs/dbraw/zinc/49/75/16/522497516.db2.gz XEIPDXWWCNSVLR-GOSISDBHSA-N 1 1 415.419 3.844 50 0 HHAAMO C[N@@H+](CC(=O)Nc1cccc(I)c1)[C@H]1CCc2ccccc21 ZINC000029483706 522512075 /nfs/dbraw/zinc/51/20/75/522512075.db2.gz RYADEAPQVOSKCF-KRWDZBQOSA-N 1 1 406.267 3.849 50 0 HHAAMO O=C(NCCc1ccc2c(c1)OCO2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043889154 526413906 /nfs/dbraw/zinc/41/39/06/526413906.db2.gz HKNQOOXBJWESBH-UHFFFAOYSA-N 1 1 415.921 3.529 50 0 HHAAMO O=C(NCCc1ccc2c(c1)OCO2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043889154 526413910 /nfs/dbraw/zinc/41/39/10/526413910.db2.gz HKNQOOXBJWESBH-UHFFFAOYSA-N 1 1 415.921 3.529 50 0 HHAAMO O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020415940 526888548 /nfs/dbraw/zinc/88/85/48/526888548.db2.gz RURWMFHAPHSIFC-UHFFFAOYSA-N 1 1 411.509 3.621 50 0 HHAAMO O=C(Cn1ccc2cc(Br)ccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000043746882 527380078 /nfs/dbraw/zinc/38/00/78/527380078.db2.gz SQCUUNGZPMCNPU-WMZOPIPTSA-N 1 1 404.352 3.785 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2sccc2n1Cc1ccccc1Cl ZINC000040287220 527672064 /nfs/dbraw/zinc/67/20/64/527672064.db2.gz GIYXGAYUQICCPA-UHFFFAOYSA-N 1 1 417.962 3.857 50 0 HHAAMO CCCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000034855778 557477246 /nfs/dbraw/zinc/47/72/46/557477246.db2.gz IFKXPWWPXNSGDD-SBUREZEXSA-N 1 1 411.546 3.901 50 0 HHAAMO CCCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000034855778 557477249 /nfs/dbraw/zinc/47/72/49/557477249.db2.gz IFKXPWWPXNSGDD-SBUREZEXSA-N 1 1 411.546 3.901 50 0 HHAAMO C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000022917800 558260681 /nfs/dbraw/zinc/26/06/81/558260681.db2.gz QSAJEMLLOOBWQD-INIZCTEOSA-N 1 1 406.357 3.988 50 0 HHAAMO Cc1cc(C)cc(N2CCC([N@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)CC2)c1 ZINC000019743121 558263522 /nfs/dbraw/zinc/26/35/22/558263522.db2.gz RBMFTKGRPXPNFH-VWLOTQADSA-N 1 1 422.617 3.544 50 0 HHAAMO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)n[nH]1 ZINC000011664158 558267632 /nfs/dbraw/zinc/26/76/32/558267632.db2.gz XACQKGMPYLGMDL-UHFFFAOYSA-N 1 1 417.557 3.976 50 0 HHAAMO CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCC[NH+]1CCOCC1 ZINC000019792122 558283053 /nfs/dbraw/zinc/28/30/53/558283053.db2.gz HQIJGXCNMPJBDQ-UHFFFAOYSA-N 1 1 412.317 3.853 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1F ZINC000019792526 558283391 /nfs/dbraw/zinc/28/33/91/558283391.db2.gz AJKCEZWBQMAQNA-UHFFFAOYSA-N 1 1 401.873 3.595 50 0 HHAAMO CC(C)(C)NC(=O)CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823745 558291047 /nfs/dbraw/zinc/29/10/47/558291047.db2.gz JCSLWSSTOYKGKF-UHFFFAOYSA-N 1 1 407.558 3.615 50 0 HHAAMO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019835766 558292695 /nfs/dbraw/zinc/29/26/95/558292695.db2.gz LCQQIZPXRGPSEH-IBGZPJMESA-N 1 1 414.575 3.549 50 0 HHAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000019835766 558292697 /nfs/dbraw/zinc/29/26/97/558292697.db2.gz LCQQIZPXRGPSEH-IBGZPJMESA-N 1 1 414.575 3.549 50 0 HHAAMO c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850332 558295398 /nfs/dbraw/zinc/29/53/98/558295398.db2.gz MEVNRZDQSGVIQU-DEOSSOPVSA-N 1 1 401.558 3.659 50 0 HHAAMO c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850332 558295401 /nfs/dbraw/zinc/29/54/01/558295401.db2.gz MEVNRZDQSGVIQU-DEOSSOPVSA-N 1 1 401.558 3.659 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000019881356 558301047 /nfs/dbraw/zinc/30/10/47/558301047.db2.gz FTUCIZNIMGFHOE-LKZQPVPRSA-N 1 1 403.526 3.905 50 0 HHAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000011938556 558301900 /nfs/dbraw/zinc/30/19/00/558301900.db2.gz CFQDNYJQZZAFRZ-FQEVSTJZSA-N 1 1 405.542 3.758 50 0 HHAAMO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)cc1 ZINC000019890169 558303034 /nfs/dbraw/zinc/30/30/34/558303034.db2.gz KMZSTRXUGYKRTG-JOCHJYFZSA-N 1 1 410.489 3.811 50 0 HHAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011972320 558304984 /nfs/dbraw/zinc/30/49/84/558304984.db2.gz FSRFRQJDNLZVKY-KRWDZBQOSA-N 1 1 415.497 3.574 50 0 HHAAMO COc1ccccc1-n1cc(C[N@H+]2CCC(=O)N(Cc3ccccc3Cl)CC2)cn1 ZINC000011974185 558305542 /nfs/dbraw/zinc/30/55/42/558305542.db2.gz DTDKYRSGUPTYOQ-UHFFFAOYSA-N 1 1 424.932 3.769 50 0 HHAAMO COc1ccccc1-n1cc(C[N@@H+]2CCC(=O)N(Cc3ccccc3Cl)CC2)cn1 ZINC000011974185 558305545 /nfs/dbraw/zinc/30/55/45/558305545.db2.gz DTDKYRSGUPTYOQ-UHFFFAOYSA-N 1 1 424.932 3.769 50 0 HHAAMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109980 558335280 /nfs/dbraw/zinc/33/52/80/558335280.db2.gz KYLZADTZPJMZPS-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(OC)c(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109980 558335282 /nfs/dbraw/zinc/33/52/82/558335282.db2.gz KYLZADTZPJMZPS-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000012149737 558338564 /nfs/dbraw/zinc/33/85/64/558338564.db2.gz IITVUIVLCALWMX-PXNSSMCTSA-N 1 1 412.534 3.962 50 0 HHAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(F)cc1 ZINC000012149737 558338567 /nfs/dbraw/zinc/33/85/67/558338567.db2.gz IITVUIVLCALWMX-PXNSSMCTSA-N 1 1 412.534 3.962 50 0 HHAAMO CCC(CC)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012165490 558342603 /nfs/dbraw/zinc/34/26/03/558342603.db2.gz QTUIYUGOEDPHQE-SFHVURJKSA-N 1 1 401.555 3.683 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020166562 558342978 /nfs/dbraw/zinc/34/29/78/558342978.db2.gz IGLVHPCDDMUATD-FQEVSTJZSA-N 1 1 410.587 3.824 50 0 HHAAMO CCN1CCC([N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212345 558347776 /nfs/dbraw/zinc/34/77/76/558347776.db2.gz RUGMAWYFZRANSR-QFIPXVFZSA-N 1 1 424.555 3.776 50 0 HHAAMO CCN1CCC([N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020212345 558347779 /nfs/dbraw/zinc/34/77/79/558347779.db2.gz RUGMAWYFZRANSR-QFIPXVFZSA-N 1 1 424.555 3.776 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 ZINC000012192659 558348138 /nfs/dbraw/zinc/34/81/38/558348138.db2.gz HSVDMBYPYUTLGV-SFHVURJKSA-N 1 1 406.505 3.796 50 0 HHAAMO Cc1nnsc1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012197410 558350336 /nfs/dbraw/zinc/35/03/36/558350336.db2.gz RYZJNUUULPNGPW-IBGZPJMESA-N 1 1 413.591 3.929 50 0 HHAAMO O=C(CC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020255364 558351902 /nfs/dbraw/zinc/35/19/02/558351902.db2.gz CDVMGQXEKSYBNR-QHCPKHFHSA-N 1 1 423.601 3.850 50 0 HHAAMO COC[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000012204293 558352346 /nfs/dbraw/zinc/35/23/46/558352346.db2.gz RRRHKABADCYNNH-QGZVFWFLSA-N 1 1 404.580 3.661 50 0 HHAAMO COC[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000012204293 558352347 /nfs/dbraw/zinc/35/23/47/558352347.db2.gz RRRHKABADCYNNH-QGZVFWFLSA-N 1 1 404.580 3.661 50 0 HHAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3cc(Cl)ccc3n2)o1 ZINC000020407467 558360378 /nfs/dbraw/zinc/36/03/78/558360378.db2.gz DTRURXDCNSCOJV-UHFFFAOYSA-N 1 1 413.905 3.909 50 0 HHAAMO CCOc1cccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 ZINC000012302444 558372072 /nfs/dbraw/zinc/37/20/72/558372072.db2.gz WXJZEYLYZUGOCA-LJQANCHMSA-N 1 1 412.530 3.745 50 0 HHAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000012306711 558375641 /nfs/dbraw/zinc/37/56/41/558375641.db2.gz VRAVVGZHBQCPOZ-UHFFFAOYSA-N 1 1 404.514 3.946 50 0 HHAAMO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c(Cl)cc1O ZINC000012314554 558377979 /nfs/dbraw/zinc/37/79/79/558377979.db2.gz CUBVILDEQDDLDY-MRXNPFEDSA-N 1 1 404.894 3.902 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c(Cl)cc1O ZINC000012314554 558377981 /nfs/dbraw/zinc/37/79/81/558377981.db2.gz CUBVILDEQDDLDY-MRXNPFEDSA-N 1 1 404.894 3.902 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1C ZINC000012315945 558379329 /nfs/dbraw/zinc/37/93/29/558379329.db2.gz JKUZNKPZYCBMNR-HXUWFJFHSA-N 1 1 411.546 3.587 50 0 HHAAMO O=C(CCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012315937 558379364 /nfs/dbraw/zinc/37/93/64/558379364.db2.gz OAVFQBUNNXJICK-HSZRJFAPSA-N 1 1 402.542 3.833 50 0 HHAAMO CC(C)S(=O)(=O)c1ncc(C[N@H+](C)C(C2CC2)C2CC2)n1CCc1ccccc1 ZINC000012317176 558380334 /nfs/dbraw/zinc/38/03/34/558380334.db2.gz SWXQGCPPPLHGJU-UHFFFAOYSA-N 1 1 415.603 3.928 50 0 HHAAMO CC(C)S(=O)(=O)c1ncc(C[N@@H+](C)C(C2CC2)C2CC2)n1CCc1ccccc1 ZINC000012317176 558380335 /nfs/dbraw/zinc/38/03/35/558380335.db2.gz SWXQGCPPPLHGJU-UHFFFAOYSA-N 1 1 415.603 3.928 50 0 HHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](CC3=Cc4cc(OC)ccc4OC3)C2)c1 ZINC000012386294 558394968 /nfs/dbraw/zinc/39/49/68/558394968.db2.gz NWQCCLJPCLAEDN-VWLOTQADSA-N 1 1 409.526 3.797 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000020650038 558397396 /nfs/dbraw/zinc/39/73/96/558397396.db2.gz UIROEZIWIVGQKZ-UHFFFAOYSA-N 1 1 417.509 3.544 50 0 HHAAMO Cc1cccn2c(C[N@H+]3CC[C@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012434052 558407864 /nfs/dbraw/zinc/40/78/64/558407864.db2.gz SPNPRRBGAOQNNS-FQEVSTJZSA-N 1 1 410.562 3.517 50 0 HHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 ZINC000012458001 558417956 /nfs/dbraw/zinc/41/79/56/558417956.db2.gz UZCVJDZDRUYTBU-FQEVSTJZSA-N 1 1 414.546 3.851 50 0 HHAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000012463871 558419970 /nfs/dbraw/zinc/41/99/70/558419970.db2.gz OOKIZARCQIWRJY-GOSISDBHSA-N 1 1 412.530 3.718 50 0 HHAAMO Cc1cc(C)n(-c2cccc(CN3CC[N@@H+](Cc4ccccc4C)[C@@H](CCO)C3)c2)n1 ZINC000020906721 558421092 /nfs/dbraw/zinc/42/10/92/558421092.db2.gz BTYXTQTXDHONPF-SANMLTNESA-N 1 1 418.585 3.866 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCN(Cc4ccccc4C)[C@@H](CCO)C3)c2)n1 ZINC000020906721 558421096 /nfs/dbraw/zinc/42/10/96/558421096.db2.gz BTYXTQTXDHONPF-SANMLTNESA-N 1 1 418.585 3.866 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCN(Cc4ccccc4C)[C@@H](CCO)C3)c2)n1 ZINC000020906721 558421099 /nfs/dbraw/zinc/42/10/99/558421099.db2.gz BTYXTQTXDHONPF-SANMLTNESA-N 1 1 418.585 3.866 50 0 HHAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cs1 ZINC000020908870 558421682 /nfs/dbraw/zinc/42/16/82/558421682.db2.gz DIPQKJXMDUDKHY-UHFFFAOYSA-N 1 1 409.515 3.632 50 0 HHAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000012573361 558429944 /nfs/dbraw/zinc/42/99/44/558429944.db2.gz AYPSIECBRDGFMD-OAHLLOKOSA-N 1 1 420.529 3.785 50 0 HHAAMO CSc1ncc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000012573361 558429947 /nfs/dbraw/zinc/42/99/47/558429947.db2.gz AYPSIECBRDGFMD-OAHLLOKOSA-N 1 1 420.529 3.785 50 0 HHAAMO CCn1nc(C)c(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1C ZINC000012594109 558436942 /nfs/dbraw/zinc/43/69/42/558436942.db2.gz WGYHTASHUZSTRV-QFIPXVFZSA-N 1 1 424.633 3.848 50 0 HHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012595119 558437467 /nfs/dbraw/zinc/43/74/67/558437467.db2.gz AVIXWNUGZDCXHI-MRXNPFEDSA-N 1 1 410.468 3.823 50 0 HHAAMO CCCn1ncc(C[N@H+]2CCC[C@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C ZINC000012707341 558450212 /nfs/dbraw/zinc/45/02/12/558450212.db2.gz UXNPYKVMKYXZSP-XMMPIXPASA-N 1 1 413.562 3.998 50 0 HHAAMO COCc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000012717759 558455769 /nfs/dbraw/zinc/45/57/69/558455769.db2.gz ASKWYPXFBXZFND-LJQANCHMSA-N 1 1 413.514 3.954 50 0 HHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012747276 558458458 /nfs/dbraw/zinc/45/84/58/558458458.db2.gz IGQDNUOGOTZWET-LJQANCHMSA-N 1 1 408.477 3.589 50 0 HHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012747276 558458461 /nfs/dbraw/zinc/45/84/61/558458461.db2.gz IGQDNUOGOTZWET-LJQANCHMSA-N 1 1 408.477 3.589 50 0 HHAAMO Cc1ccc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)o1 ZINC000012754127 558459558 /nfs/dbraw/zinc/45/95/58/558459558.db2.gz YCTQFMUEJRNUJU-UHFFFAOYSA-N 1 1 419.953 3.576 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012795515 558468416 /nfs/dbraw/zinc/46/84/16/558468416.db2.gz RCVBHTHJTHRWRG-ZDUSSCGKSA-N 1 1 419.884 3.862 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022772771 558509126 /nfs/dbraw/zinc/50/91/26/558509126.db2.gz XBVDBSZCNWDHSM-INIZCTEOSA-N 1 1 405.901 3.503 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(C)c1C ZINC000022853399 558517260 /nfs/dbraw/zinc/51/72/60/558517260.db2.gz IAUOFQLPOPMPBS-HXUWFJFHSA-N 1 1 404.501 3.659 50 0 HHAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1CC1CCCCC1 ZINC000022914172 558520889 /nfs/dbraw/zinc/52/08/89/558520889.db2.gz JDPCVOADEQOCBH-QFIPXVFZSA-N 1 1 400.542 3.665 50 0 HHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC000023055395 558532611 /nfs/dbraw/zinc/53/26/11/558532611.db2.gz OPZCBQKWJRTBMJ-CQSZACIVSA-N 1 1 419.319 3.988 50 0 HHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC000023055395 558532615 /nfs/dbraw/zinc/53/26/15/558532615.db2.gz OPZCBQKWJRTBMJ-CQSZACIVSA-N 1 1 419.319 3.988 50 0 HHAAMO Cc1cc(C)c(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023129635 558536852 /nfs/dbraw/zinc/53/68/52/558536852.db2.gz LTVYVQZJRFFSKI-NRFANRHFSA-N 1 1 410.587 3.619 50 0 HHAAMO CC(C)CC(=O)Nc1ccnn1C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000023360024 558551702 /nfs/dbraw/zinc/55/17/02/558551702.db2.gz RDAVNICYOINASS-JOCHJYFZSA-N 1 1 409.578 3.779 50 0 HHAAMO CC(C)CC(=O)Nc1ccnn1C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000023360024 558551706 /nfs/dbraw/zinc/55/17/06/558551706.db2.gz RDAVNICYOINASS-JOCHJYFZSA-N 1 1 409.578 3.779 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360950 558552030 /nfs/dbraw/zinc/55/20/30/558552030.db2.gz CCRXXXKIODCOHH-XMMPIXPASA-N 1 1 423.601 3.673 50 0 HHAAMO CCOc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360950 558552033 /nfs/dbraw/zinc/55/20/33/558552033.db2.gz CCRXXXKIODCOHH-XMMPIXPASA-N 1 1 423.601 3.673 50 0 HHAAMO CCOc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000023373071 558553290 /nfs/dbraw/zinc/55/32/90/558553290.db2.gz ADXLVOTUAZNDBQ-QHCPKHFHSA-N 1 1 412.574 3.595 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@H+]1CCCc1ccccc1 ZINC000023373892 558553778 /nfs/dbraw/zinc/55/37/78/558553778.db2.gz AXEXRAZVQLVEKS-HSZRJFAPSA-N 1 1 422.548 3.513 50 0 HHAAMO Cc1nc2ccc(Cl)cc2cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023396624 558556701 /nfs/dbraw/zinc/55/67/01/558556701.db2.gz CIHOSONVDOQAMI-UHFFFAOYSA-N 1 1 401.938 3.962 50 0 HHAAMO O=C(COc1ccccc1-c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023761499 558574482 /nfs/dbraw/zinc/57/44/82/558574482.db2.gz VAKASKASDIZAIX-UHFFFAOYSA-N 1 1 408.542 3.884 50 0 HHAAMO CC[NH+]1CCN(C(=S)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)CC1 ZINC000013829853 558596575 /nfs/dbraw/zinc/59/65/75/558596575.db2.gz RNHSKTNMDYTUKH-UHFFFAOYSA-N 1 1 403.573 3.844 50 0 HHAAMO C[N@H+](Cc1ccccc1N1CCOCC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014083112 558618247 /nfs/dbraw/zinc/61/82/47/558618247.db2.gz FAKIDXVVHIIVFK-DEOSSOPVSA-N 1 1 407.558 3.709 50 0 HHAAMO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014083112 558618252 /nfs/dbraw/zinc/61/82/52/558618252.db2.gz FAKIDXVVHIIVFK-DEOSSOPVSA-N 1 1 407.558 3.709 50 0 HHAAMO CC(C)C[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000026064940 558654686 /nfs/dbraw/zinc/65/46/86/558654686.db2.gz HGUOUNHSSJYHDO-IBGZPJMESA-N 1 1 405.539 3.510 50 0 HHAAMO CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535088 558657786 /nfs/dbraw/zinc/65/77/86/558657786.db2.gz VGYLLINGWFFFBR-RCZVLFRGSA-N 1 1 423.601 3.526 50 0 HHAAMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027744274 558681015 /nfs/dbraw/zinc/68/10/15/558681015.db2.gz DSRIORSLQVDQPD-HXUWFJFHSA-N 1 1 415.622 3.818 50 0 HHAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000014953527 558681536 /nfs/dbraw/zinc/68/15/36/558681536.db2.gz YRHMMHDZALZIJI-VQFGERMISA-N 1 1 424.541 3.868 50 0 HHAAMO c1ccc2oc(C3CC[NH+](Cc4nc(-c5ccc6c(c5)OCO6)no4)CC3)nc2c1 ZINC000014961723 558684375 /nfs/dbraw/zinc/68/43/75/558684375.db2.gz GEIALKJWQQWXOI-UHFFFAOYSA-N 1 1 404.426 3.986 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028289533 558696282 /nfs/dbraw/zinc/69/62/82/558696282.db2.gz LCZHKCMMTWVVRX-NRFANRHFSA-N 1 1 420.509 3.985 50 0 HHAAMO Cc1ccsc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014998163 558696802 /nfs/dbraw/zinc/69/68/02/558696802.db2.gz MKKXQXYHBZGIAG-SFHVURJKSA-N 1 1 423.586 3.516 50 0 HHAAMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000029926743 558723997 /nfs/dbraw/zinc/72/39/97/558723997.db2.gz YULUYYXDEAJYNR-CYBMUJFWSA-N 1 1 400.350 3.949 50 0 HHAAMO C[N@@H+]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)[C@@H](c2ccccc2)C1 ZINC000030030464 558726745 /nfs/dbraw/zinc/72/67/45/558726745.db2.gz LWDBXEUBFOXWDG-JOCHJYFZSA-N 1 1 421.928 3.679 50 0 HHAAMO C[N@H+]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)[C@@H](c2ccccc2)C1 ZINC000030030464 558726747 /nfs/dbraw/zinc/72/67/47/558726747.db2.gz LWDBXEUBFOXWDG-JOCHJYFZSA-N 1 1 421.928 3.679 50 0 HHAAMO CNC(=O)c1ccc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000030533810 558732049 /nfs/dbraw/zinc/73/20/49/558732049.db2.gz RJOWXLVZXLTTLB-FQEVSTJZSA-N 1 1 401.510 3.647 50 0 HHAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015543694 558743125 /nfs/dbraw/zinc/74/31/25/558743125.db2.gz ZDYPNKNMCXMCHL-UHFFFAOYSA-N 1 1 410.905 3.918 50 0 HHAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1OC ZINC000030955162 558746989 /nfs/dbraw/zinc/74/69/89/558746989.db2.gz HZDCORCICPWPRS-UHFFFAOYSA-N 1 1 422.485 3.605 50 0 HHAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)[nH+]1 ZINC000033326781 558766872 /nfs/dbraw/zinc/76/68/72/558766872.db2.gz XAIKFDLTEJWVIG-UHFFFAOYSA-N 1 1 416.529 3.893 50 0 HHAAMO COc1ccccc1NC(=O)Cc1noc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000016474692 558793119 /nfs/dbraw/zinc/79/31/19/558793119.db2.gz SHDFWXYALPRMKY-UHFFFAOYSA-N 1 1 420.513 3.714 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000019223751 558852337 /nfs/dbraw/zinc/85/23/37/558852337.db2.gz CIAVUDHLEUWCPN-DEOSSOPVSA-N 1 1 418.585 3.805 50 0 HHAAMO O=c1c(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)coc2ccc(Cl)cc12 ZINC000019225495 558852586 /nfs/dbraw/zinc/85/25/86/558852586.db2.gz YEXOWZSOQNYHEK-IBGZPJMESA-N 1 1 404.938 3.648 50 0 HHAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1 ZINC000019300375 558866340 /nfs/dbraw/zinc/86/63/40/558866340.db2.gz NVXKYLORNKHLOC-VWLOTQADSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1 ZINC000019300375 558866343 /nfs/dbraw/zinc/86/63/43/558866343.db2.gz NVXKYLORNKHLOC-VWLOTQADSA-N 1 1 404.558 3.558 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1 ZINC000019300375 558866346 /nfs/dbraw/zinc/86/63/46/558866346.db2.gz NVXKYLORNKHLOC-VWLOTQADSA-N 1 1 404.558 3.558 50 0 HHAAMO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc1C ZINC000055054534 558870848 /nfs/dbraw/zinc/87/08/48/558870848.db2.gz NWXPHGIVOQGAHE-HXUWFJFHSA-N 1 1 411.521 3.570 50 0 HHAAMO CO[C@@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055244903 558877242 /nfs/dbraw/zinc/87/72/42/558877242.db2.gz GKFDKSXLDNKBGZ-OAQYLSRUSA-N 1 1 420.557 3.568 50 0 HHAAMO CO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000055244903 558877243 /nfs/dbraw/zinc/87/72/43/558877243.db2.gz GKFDKSXLDNKBGZ-OAQYLSRUSA-N 1 1 420.557 3.568 50 0 HHAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000058109194 558899376 /nfs/dbraw/zinc/89/93/76/558899376.db2.gz TULPFUOXNIAKGC-IRXDYDNUSA-N 1 1 420.517 3.511 50 0 HHAAMO NC(=O)Nc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000058139645 558901467 /nfs/dbraw/zinc/90/14/67/558901467.db2.gz IEUUIWUJMWGZAG-LJQANCHMSA-N 1 1 406.408 3.570 50 0 HHAAMO Cc1ccc(CNC(=O)N[C@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)c(C)c1 ZINC000058159192 558904355 /nfs/dbraw/zinc/90/43/55/558904355.db2.gz QZJSPFUSUSJKDE-XMMPIXPASA-N 1 1 408.590 3.870 50 0 HHAAMO Cc1ccc(CNC(=O)N[C@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)c(C)c1 ZINC000058159192 558904358 /nfs/dbraw/zinc/90/43/58/558904358.db2.gz QZJSPFUSUSJKDE-XMMPIXPASA-N 1 1 408.590 3.870 50 0 HHAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000058179823 558910133 /nfs/dbraw/zinc/91/01/33/558910133.db2.gz UMQFLSQQZSKJEN-IBGZPJMESA-N 1 1 413.949 3.834 50 0 HHAAMO COc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CCCOCC2)OCO4)c1OC ZINC000072448152 558982616 /nfs/dbraw/zinc/98/26/16/558982616.db2.gz GNEDFDPUEREYCZ-UHFFFAOYSA-N 1 1 422.481 3.870 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCCNC(=O)c3ccccc3)n2)C1 ZINC000022294535 558987413 /nfs/dbraw/zinc/98/74/13/558987413.db2.gz QQCZIMIYFIBLDC-CALCHBBNSA-N 1 1 414.575 3.770 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCCNC(=O)c3ccccc3)n2)C1 ZINC000022294535 558987414 /nfs/dbraw/zinc/98/74/14/558987414.db2.gz QQCZIMIYFIBLDC-CALCHBBNSA-N 1 1 414.575 3.770 50 0 HHAAMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097212896 559012397 /nfs/dbraw/zinc/01/23/97/559012397.db2.gz DXUWABFAHZMUTR-CVEARBPZSA-N 1 1 400.548 3.718 50 0 HHAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3s2)CC1 ZINC000023135833 559018738 /nfs/dbraw/zinc/01/87/38/559018738.db2.gz HVWJTAAUNGXEJC-UHFFFAOYSA-N 1 1 416.934 3.719 50 0 HHAAMO Cc1ccc(C)c(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082107347 559038473 /nfs/dbraw/zinc/03/84/73/559038473.db2.gz KTRGUMHAZGAPGZ-QFIPXVFZSA-N 1 1 420.601 3.691 50 0 HHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1 ZINC000082138567 559040688 /nfs/dbraw/zinc/04/06/88/559040688.db2.gz KZRXBMFCSZOXLL-QHCPKHFHSA-N 1 1 412.622 3.941 50 0 HHAAMO CC[NH+]1CCN(C(=O)Cn2ccc3c2ccnc3SCc2ccc(C)cc2)CC1 ZINC000033298597 559047902 /nfs/dbraw/zinc/04/79/02/559047902.db2.gz PIIBWMGTNZXURP-UHFFFAOYSA-N 1 1 408.571 3.801 50 0 HHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 ZINC000095501133 559082281 /nfs/dbraw/zinc/08/22/81/559082281.db2.gz GOZTYOLDBPZTKM-MRXNPFEDSA-N 1 1 402.489 3.805 50 0 HHAAMO Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000095530307 559086742 /nfs/dbraw/zinc/08/67/42/559086742.db2.gz VUCRVSURLPIADY-GOSISDBHSA-N 1 1 402.922 3.628 50 0 HHAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000072303670 559124302 /nfs/dbraw/zinc/12/43/02/559124302.db2.gz JWPAGRZVYIALCU-QPPBQGQZSA-N 1 1 408.542 3.839 50 0 HHAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH2+]Cc1ccccn1 ZINC000033379533 559147377 /nfs/dbraw/zinc/14/73/77/559147377.db2.gz DQBVEJYDENNHIJ-UHFFFAOYSA-N 1 1 413.474 3.854 50 0 HHAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)N1CC[NH+](C)CC1)c1ccccc1CC2 ZINC000004826058 559154617 /nfs/dbraw/zinc/15/46/17/559154617.db2.gz DPIDBARGKFDBDV-UHFFFAOYSA-N 1 1 408.502 3.859 50 0 HHAAMO Cc1cccc(-c2ncc(CN3CC[N@@H+](Cc4ccccc4C)[C@@H](CCO)C3)cn2)c1 ZINC000023358043 559173141 /nfs/dbraw/zinc/17/31/41/559173141.db2.gz PHGLOOLLTQJPKE-VWLOTQADSA-N 1 1 416.569 3.829 50 0 HHAAMO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(C)CC2)cc1 ZINC000023477131 559176228 /nfs/dbraw/zinc/17/62/28/559176228.db2.gz DAPDQEPBCKGHCC-RUZDIDTESA-N 1 1 417.553 3.556 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000004879676 559196196 /nfs/dbraw/zinc/19/61/96/559196196.db2.gz CFLHPIIEIIYTCB-QGZVFWFLSA-N 1 1 402.535 3.580 50 0 HHAAMO COCC(=O)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1OC)C(C)C ZINC000247985903 559258607 /nfs/dbraw/zinc/25/86/07/559258607.db2.gz IQMZANICZKCOLZ-WIYYLYMNSA-N 1 1 416.587 3.856 50 0 HHAAMO CC(C)(C)C[N@@H+]1CCOc2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2C1 ZINC000011913027 559267038 /nfs/dbraw/zinc/26/70/38/559267038.db2.gz VSIOTROGKIMTDH-UHFFFAOYSA-N 1 1 409.574 3.806 50 0 HHAAMO CC(C)(C)C[N@H+]1CCOc2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2C1 ZINC000011913027 559267039 /nfs/dbraw/zinc/26/70/39/559267039.db2.gz VSIOTROGKIMTDH-UHFFFAOYSA-N 1 1 409.574 3.806 50 0 HHAAMO COc1ccc(NC(=O)[C@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)cc1Cl ZINC000005229214 560546486 /nfs/dbraw/zinc/54/64/86/560546486.db2.gz DUMFYVVEGDNIRT-QGZVFWFLSA-N 1 1 415.906 3.775 50 0 HHAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000169302668 560762980 /nfs/dbraw/zinc/76/29/80/560762980.db2.gz QHOFUTURFHYTTR-LZYPDUGYSA-N 1 1 410.473 3.825 50 0 HHAAMO C[N@H+]1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000169302668 560762982 /nfs/dbraw/zinc/76/29/82/560762982.db2.gz QHOFUTURFHYTTR-LZYPDUGYSA-N 1 1 410.473 3.825 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000102685759 560821238 /nfs/dbraw/zinc/82/12/38/560821238.db2.gz GWSSOODOEXHBJQ-NWDGAFQWSA-N 1 1 422.323 3.776 50 0 HHAAMO COC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983844 560858898 /nfs/dbraw/zinc/85/88/98/560858898.db2.gz SWEBFGJOZJHYJF-WOJBJXKFSA-N 1 1 423.340 3.996 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984313 560858904 /nfs/dbraw/zinc/85/89/04/560858904.db2.gz WYVCMRDEPCENNA-FCHUYYIVSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984273 560858925 /nfs/dbraw/zinc/85/89/25/560858925.db2.gz AIYOBMFCLXFDOX-NHCUHLMSSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984273 560858926 /nfs/dbraw/zinc/85/89/26/560858926.db2.gz AIYOBMFCLXFDOX-NHCUHLMSSA-N 1 1 414.521 3.997 50 0 HHAAMO CCOC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983621 560859252 /nfs/dbraw/zinc/85/92/52/560859252.db2.gz BWSRPTIUOMMWHH-WOJBJXKFSA-N 1 1 420.912 3.872 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983621 560859254 /nfs/dbraw/zinc/85/92/54/560859254.db2.gz BWSRPTIUOMMWHH-WOJBJXKFSA-N 1 1 420.912 3.872 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000108150422 560898134 /nfs/dbraw/zinc/89/81/34/560898134.db2.gz GCCSGAHCZZOYRH-SBHAEUEKSA-N 1 1 409.530 3.981 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2OC(F)F)C[C@H](C)O1 ZINC000048358422 568441288 /nfs/dbraw/zinc/44/12/88/568441288.db2.gz CVFGOPDTZIPTTI-HOTGVXAUSA-N 1 1 404.457 3.827 50 0 HHAAMO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000390827948 568491506 /nfs/dbraw/zinc/49/15/06/568491506.db2.gz MIOSFPFSZMLAKQ-XWVZOOPGSA-N 1 1 409.574 3.842 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095397901 568604616 /nfs/dbraw/zinc/60/46/16/568604616.db2.gz MJJZVCSKBBVBJO-LJQANCHMSA-N 1 1 411.502 3.682 50 0 HHAAMO CCCC[N@@H+](CCCNC(=O)C[C@@H]1Nc2ccccc2NC1=O)Cc1ccccc1 ZINC000020732804 568640883 /nfs/dbraw/zinc/64/08/83/568640883.db2.gz NUKDPCUIHBILFU-QFIPXVFZSA-N 1 1 408.546 3.618 50 0 HHAAMO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762163 568642793 /nfs/dbraw/zinc/64/27/93/568642793.db2.gz MWHAEIYCMQZNGZ-NQIIRXRSSA-N 1 1 424.593 3.646 50 0 biogenic HHAAMO COc1ccccc1N1CC[C@@H](C)[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000225613935 568656963 /nfs/dbraw/zinc/65/69/63/568656963.db2.gz VERCQZZRVMPICU-MRXNPFEDSA-N 1 1 422.485 3.575 50 0 HHAAMO COc1ccccc1N1CC[C@@H](C)[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000225613935 568656965 /nfs/dbraw/zinc/65/69/65/568656965.db2.gz VERCQZZRVMPICU-MRXNPFEDSA-N 1 1 422.485 3.575 50 0 HHAAMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1NC(=O)C1=CSCCO1 ZINC000021019774 568658160 /nfs/dbraw/zinc/65/81/60/568658160.db2.gz NZNPYBIXDOHCND-QGZVFWFLSA-N 1 1 417.575 3.533 50 0 HHAAMO C[C@@H](CNC(=O)c1csc(Cc2ccccc2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000095949296 568665917 /nfs/dbraw/zinc/66/59/17/568665917.db2.gz SUULNBWPSKEXMB-IBGZPJMESA-N 1 1 420.582 3.674 50 0 HHAAMO COc1ccc(CCC(=O)N2CC[NH+]([C@@H](C)Cc3ccc4ccccc4n3)CC2)cc1 ZINC000095963784 568670500 /nfs/dbraw/zinc/67/05/00/568670500.db2.gz GWUVGSWKCPJZHP-FQEVSTJZSA-N 1 1 417.553 3.951 50 0 HHAAMO Cc1ccccc1OCC(=O)NC[C@@H](c1cccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000021151905 568672489 /nfs/dbraw/zinc/67/24/89/568672489.db2.gz QXXQARZVXWGNAB-QHCPKHFHSA-N 1 1 403.526 3.628 50 0 HHAAMO Cc1ccccc1OCC(=O)NC[C@@H](c1cccn1C)[N@H+]1CCc2ccccc2C1 ZINC000021151905 568672492 /nfs/dbraw/zinc/67/24/92/568672492.db2.gz QXXQARZVXWGNAB-QHCPKHFHSA-N 1 1 403.526 3.628 50 0 HHAAMO COc1ccc(CN(CC(O)C[N@@H+](Cc2ccc(OC)cc2)C2CC2)C2CC2)cc1 ZINC000095996044 568678800 /nfs/dbraw/zinc/67/88/00/568678800.db2.gz ZUCSFSQMPWKYLF-UHFFFAOYSA-N 1 1 410.558 3.694 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114037 568693582 /nfs/dbraw/zinc/69/35/82/568693582.db2.gz BMNPEPNKPALZFA-KRWDZBQOSA-N 1 1 410.514 3.998 50 0 biogenic HHAAMO CC[N@@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000021528146 568709830 /nfs/dbraw/zinc/70/98/30/568709830.db2.gz YCDGYJLUYGDCTG-UHFFFAOYSA-N 1 1 413.543 3.948 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)CC1 ZINC000096277308 568716166 /nfs/dbraw/zinc/71/61/66/568716166.db2.gz DTEMVKDZWAIWIP-UHFFFAOYSA-N 1 1 410.905 3.851 50 0 HHAAMO CCOc1ccccc1CNC(=O)c1cc2sc(C)c(C[NH+]3CCOCC3)c2[nH]1 ZINC000096363771 568739496 /nfs/dbraw/zinc/73/94/96/568739496.db2.gz FSWORCOEFKQXPM-UHFFFAOYSA-N 1 1 413.543 3.699 50 0 HHAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1OC ZINC000021794045 568753542 /nfs/dbraw/zinc/75/35/42/568753542.db2.gz PRWQTNGSVBEJON-UHFFFAOYSA-N 1 1 407.474 3.864 50 0 HHAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1OC ZINC000021794045 568753543 /nfs/dbraw/zinc/75/35/43/568753543.db2.gz PRWQTNGSVBEJON-UHFFFAOYSA-N 1 1 407.474 3.864 50 0 HHAAMO CN(C)CC[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261492478 568820365 /nfs/dbraw/zinc/82/03/65/568820365.db2.gz XYYSLEMPUGCCPQ-UHFFFAOYSA-N 1 1 404.345 3.951 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(Cl)cc2Cl)N1)OCCCO4 ZINC000012507751 568839910 /nfs/dbraw/zinc/83/99/10/568839910.db2.gz ZJDASLCQXQQBBR-MRXNPFEDSA-N 1 1 404.257 3.601 50 0 HHAAMO CC(=O)Nc1ccc2nc(C[N@H+](C)CC3(N4CCOCC4)CCCCC3)ccc2c1 ZINC000670440815 568890878 /nfs/dbraw/zinc/89/08/78/568890878.db2.gz SMNPCMHPFYNVMI-UHFFFAOYSA-N 1 1 410.562 3.660 50 0 HHAAMO CCCCOc1cc(C[NH2+]C[C@@H](CN(C)C)[C@@H](O)c2ccccc2)ccc1OC ZINC000058152310 568892875 /nfs/dbraw/zinc/89/28/75/568892875.db2.gz ONXPXLPXAIUGHR-URXFXBBRSA-N 1 1 400.563 3.875 50 0 HHAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NC(=O)NCc1ccccc1 ZINC000003588424 568917923 /nfs/dbraw/zinc/91/79/23/568917923.db2.gz HLDFWTPSOVSQMK-UHFFFAOYSA-N 1 1 408.527 3.502 50 0 HHAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCc2cccnc2)CC1 ZINC000004035184 568935189 /nfs/dbraw/zinc/93/51/89/568935189.db2.gz SGLRUHMHWIDZSL-UHFFFAOYSA-N 1 1 408.477 3.713 50 0 HHAAMO COCC[N@H+]1CCC[C@H](CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000012762965 568946676 /nfs/dbraw/zinc/94/66/76/568946676.db2.gz LUDWIZQEBBXWGP-QGZVFWFLSA-N 1 1 423.513 3.592 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681524 568968109 /nfs/dbraw/zinc/96/81/09/568968109.db2.gz NTIYNTFPUYGURP-SFHVURJKSA-N 1 1 409.509 3.796 50 0 HHAAMO Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000008133837 568976653 /nfs/dbraw/zinc/97/66/53/568976653.db2.gz OSMLZOTVJGXJJO-OAQYLSRUSA-N 1 1 405.498 3.875 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008275204 568986764 /nfs/dbraw/zinc/98/67/64/568986764.db2.gz ZEXCXKNWMJPBAJ-HXUWFJFHSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008275204 568986766 /nfs/dbraw/zinc/98/67/66/568986766.db2.gz ZEXCXKNWMJPBAJ-HXUWFJFHSA-N 1 1 423.513 3.950 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104320051 569008233 /nfs/dbraw/zinc/00/82/33/569008233.db2.gz DKURQUGGXSRWNA-HSZRJFAPSA-N 1 1 407.558 3.862 50 0 HHAAMO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4ccccc4C)[C@H](CCO)C3)c(C)c2c1 ZINC000104464808 569008657 /nfs/dbraw/zinc/00/86/57/569008657.db2.gz YUMOPPHCFNXVKE-OAQYLSRUSA-N 1 1 407.558 3.862 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc1 ZINC000104557918 569009032 /nfs/dbraw/zinc/00/90/32/569009032.db2.gz IDHJARVLFPJUGW-JOCHJYFZSA-N 1 1 407.558 3.646 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc1 ZINC000104557918 569009033 /nfs/dbraw/zinc/00/90/33/569009033.db2.gz IDHJARVLFPJUGW-JOCHJYFZSA-N 1 1 407.558 3.646 50 0 HHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868919 569012289 /nfs/dbraw/zinc/01/22/89/569012289.db2.gz OPROJYRZEWFZIJ-MRXNPFEDSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868919 569012290 /nfs/dbraw/zinc/01/22/90/569012290.db2.gz OPROJYRZEWFZIJ-MRXNPFEDSA-N 1 1 406.452 3.948 50 0 HHAAMO CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012888517 569019707 /nfs/dbraw/zinc/01/97/07/569019707.db2.gz DVNXQFOFUSZRLE-MRXNPFEDSA-N 1 1 400.489 3.698 50 0 HHAAMO CCCCC[C@@H](C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012888517 569019708 /nfs/dbraw/zinc/01/97/08/569019708.db2.gz DVNXQFOFUSZRLE-MRXNPFEDSA-N 1 1 400.489 3.698 50 0 HHAAMO COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000012912796 569021978 /nfs/dbraw/zinc/02/19/78/569021978.db2.gz UYINXUYDNYPGCP-MOPGFXCFSA-N 1 1 408.542 3.898 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000016027003 569026610 /nfs/dbraw/zinc/02/66/10/569026610.db2.gz XELZJZRNKWSHBN-KHJUTWJGSA-N 1 1 411.889 3.619 50 0 HHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000035399210 569035265 /nfs/dbraw/zinc/03/52/65/569035265.db2.gz FJCUSGSSPMHVLT-IBGZPJMESA-N 1 1 400.567 3.559 50 0 HHAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000035399209 569035288 /nfs/dbraw/zinc/03/52/88/569035288.db2.gz FJCUSGSSPMHVLT-LJQANCHMSA-N 1 1 400.567 3.559 50 0 HHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1Br)c1cc2ccccc2o1 ZINC000575622490 569038960 /nfs/dbraw/zinc/03/89/60/569038960.db2.gz ZGRLEWQTKRBKQT-HNNXBMFYSA-N 1 1 423.332 3.777 50 0 HHAAMO Cc1c2ccccc2oc1-c1nnc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000035503553 569040633 /nfs/dbraw/zinc/04/06/33/569040633.db2.gz MUAARPSCSQRJDW-UHFFFAOYSA-N 1 1 402.454 3.579 50 0 HHAAMO Cc1c2ccccc2oc1-c1nnc(C(=O)NCC[N@H+]2CCc3ccccc3C2)o1 ZINC000035503553 569040634 /nfs/dbraw/zinc/04/06/34/569040634.db2.gz MUAARPSCSQRJDW-UHFFFAOYSA-N 1 1 402.454 3.579 50 0 HHAAMO Cc1nc(Nc2ccccn2)cc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000090607913 569042226 /nfs/dbraw/zinc/04/22/26/569042226.db2.gz VHGMUUUBTUTAJI-UHFFFAOYSA-N 1 1 416.407 3.784 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000244626590 569056077 /nfs/dbraw/zinc/05/60/77/569056077.db2.gz FONMVGHTTJLKOH-FQEVSTJZSA-N 1 1 406.505 3.967 50 0 HHAAMO COc1cc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(OC)cc1Cl ZINC000089420791 569060143 /nfs/dbraw/zinc/06/01/43/569060143.db2.gz YFSZENZHCWRGEG-LJQANCHMSA-N 1 1 418.921 3.569 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(c4noc(C(C)C)n4)C3)C2)c1OC ZINC000426739086 569074096 /nfs/dbraw/zinc/07/40/96/569074096.db2.gz PYNKTPFTVYKWPS-QFIPXVFZSA-N 1 1 400.523 3.703 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cnc(-c3cccc(C)c3)nc2N(C)C2CCCCC2)CC1 ZINC000035988730 569074345 /nfs/dbraw/zinc/07/43/45/569074345.db2.gz KBDLPMWMWAOUDI-UHFFFAOYSA-N 1 1 421.589 3.999 50 0 HHAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(OC)c(OC)c2)CC(C)C)cc1 ZINC000036095639 569089895 /nfs/dbraw/zinc/08/98/95/569089895.db2.gz QNXCNRZKUBRCDJ-LJQANCHMSA-N 1 1 403.519 3.610 50 0 HHAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801053 569096863 /nfs/dbraw/zinc/09/68/63/569096863.db2.gz LPAOEXLCCNOPIP-UHFFFAOYSA-N 1 1 407.449 3.757 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145897 569098387 /nfs/dbraw/zinc/09/83/87/569098387.db2.gz FCTWSSQCXSTXJF-SFTDATJTSA-N 1 1 402.922 3.733 50 0 HHAAMO Cn1cc(NC(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000006724919 569100799 /nfs/dbraw/zinc/10/07/99/569100799.db2.gz GMKHOLXTBYPOQJ-UHFFFAOYSA-N 1 1 408.502 3.698 50 0 HHAAMO Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)on1 ZINC000064845445 569108120 /nfs/dbraw/zinc/10/81/20/569108120.db2.gz IWODJGJEBQAXDK-UHFFFAOYSA-N 1 1 423.604 3.967 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679312 569126830 /nfs/dbraw/zinc/12/68/30/569126830.db2.gz SDYDBWPPZLNUJY-VWNXMTODSA-N 1 1 420.509 3.853 50 0 HHAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](C)O ZINC000036306713 569129398 /nfs/dbraw/zinc/12/93/98/569129398.db2.gz ANHJMLQGYMZRFP-KRWDZBQOSA-N 1 1 413.493 3.848 50 0 HHAAMO O=C(Nc1cccc(F)c1)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036310759 569131940 /nfs/dbraw/zinc/13/19/40/569131940.db2.gz QNKCRMJHOVPTQE-OAQYLSRUSA-N 1 1 416.541 3.547 50 0 HHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341770 569141622 /nfs/dbraw/zinc/14/16/22/569141622.db2.gz SOFMYJFLNHCOHN-HXUWFJFHSA-N 1 1 409.461 3.718 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989580 569145973 /nfs/dbraw/zinc/14/59/73/569145973.db2.gz YIJAFKWUBGUOBK-IBGZPJMESA-N 1 1 407.562 3.738 50 0 HHAAMO Cc1ccc([S@@](=O)Cc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000006895586 569175349 /nfs/dbraw/zinc/17/53/49/569175349.db2.gz BRMXQCNXDSNXBV-GDLZYMKVSA-N 1 1 414.571 3.986 50 0 HHAAMO O=C(C[NH+]1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccccc1 ZINC000065184250 569191365 /nfs/dbraw/zinc/19/13/65/569191365.db2.gz WVBQSSRKXOGJGC-UHFFFAOYSA-N 1 1 410.905 3.886 50 0 HHAAMO CC1CC[NH+](Cc2csc(N3CCN(C(=O)c4cc(F)ccc4F)CC3)n2)CC1 ZINC000065200250 569193653 /nfs/dbraw/zinc/19/36/53/569193653.db2.gz HRLXOYPDEOCPET-UHFFFAOYSA-N 1 1 420.529 3.616 50 0 HHAAMO CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000036613310 569209200 /nfs/dbraw/zinc/20/92/00/569209200.db2.gz BNGCFVOYPKLCMQ-LJQANCHMSA-N 1 1 403.530 3.655 50 0 HHAAMO COc1ccc(C[N@@H+]2CCCn3nc(-c4ccc(OC)c(OC)c4)cc3C2)c(OC)c1 ZINC000065270393 569213974 /nfs/dbraw/zinc/21/39/74/569213974.db2.gz BHYFNLDZFCCFOT-UHFFFAOYSA-N 1 1 423.513 3.990 50 0 HHAAMO COc1ccc(C[N@H+]2CCCn3nc(-c4ccc(OC)c(OC)c4)cc3C2)c(OC)c1 ZINC000065270393 569213976 /nfs/dbraw/zinc/21/39/76/569213976.db2.gz BHYFNLDZFCCFOT-UHFFFAOYSA-N 1 1 423.513 3.990 50 0 HHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000007496610 569242539 /nfs/dbraw/zinc/24/25/39/569242539.db2.gz RJNVSAGDHDFKND-UHFFFAOYSA-N 1 1 405.420 3.903 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000007496610 569242540 /nfs/dbraw/zinc/24/25/40/569242540.db2.gz RJNVSAGDHDFKND-UHFFFAOYSA-N 1 1 405.420 3.903 50 0 HHAAMO COCCn1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2cc(Cl)ccc21 ZINC000170613459 569246903 /nfs/dbraw/zinc/24/69/03/569246903.db2.gz IRHKNBAMMUEENP-APWZRJJASA-N 1 1 403.954 3.935 50 0 HHAAMO Cc1csc(CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC000170617681 569247717 /nfs/dbraw/zinc/24/77/17/569247717.db2.gz KDEJBRWCAPVMCZ-SJORKVTESA-N 1 1 411.493 3.811 50 0 HHAAMO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@@H]3CCCN3C(C)=O)o2)cc1 ZINC000089954826 569269839 /nfs/dbraw/zinc/26/98/39/569269839.db2.gz QLZSJWNOJVEJFI-SFTDATJTSA-N 1 1 412.534 3.891 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)cc1 ZINC000017012153 569271442 /nfs/dbraw/zinc/27/14/42/569271442.db2.gz GQQKUCMTRJZBLZ-UHFFFAOYSA-N 1 1 409.534 3.766 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000252022271 569272917 /nfs/dbraw/zinc/27/29/17/569272917.db2.gz ZIXHHZJJVCNDCX-MBSDFSHPSA-N 1 1 403.530 3.796 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000252457267 569286607 /nfs/dbraw/zinc/28/66/07/569286607.db2.gz RZERJTPZGGSCHA-UGKGYDQZSA-N 1 1 423.513 3.905 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000252457267 569286608 /nfs/dbraw/zinc/28/66/08/569286608.db2.gz RZERJTPZGGSCHA-UGKGYDQZSA-N 1 1 423.513 3.905 50 0 HHAAMO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000195529216 569311970 /nfs/dbraw/zinc/31/19/70/569311970.db2.gz ITMATJVKPFZWAI-MZKRTTBSSA-N 1 1 413.606 3.675 50 0 HHAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819804 569320691 /nfs/dbraw/zinc/32/06/91/569320691.db2.gz MBJGDVRVWZDVGN-HSZRJFAPSA-N 1 1 419.654 3.771 50 0 HHAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000015957661 569357243 /nfs/dbraw/zinc/35/72/43/569357243.db2.gz IAJWLDIXDYBHTM-VEXUSMLFSA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)ccc1O ZINC000015957661 569357245 /nfs/dbraw/zinc/35/72/45/569357245.db2.gz IAJWLDIXDYBHTM-VEXUSMLFSA-N 1 1 410.514 3.708 50 0 biogenic HHAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000026771573 569357676 /nfs/dbraw/zinc/35/76/76/569357676.db2.gz IYKRYPCAWRTXRE-ZKMPZPQNSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253407349 569366126 /nfs/dbraw/zinc/36/61/26/569366126.db2.gz JTLPAQMATCDEIG-FXAWDEMLSA-N 1 1 400.954 3.962 50 0 biogenic HHAAMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000253424515 569368126 /nfs/dbraw/zinc/36/81/26/569368126.db2.gz HIGPLORMAVRGPY-UHFFFAOYSA-N 1 1 411.594 3.670 50 0 HHAAMO CN(CCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1)CC[NH+](C)C ZINC000253424515 569368127 /nfs/dbraw/zinc/36/81/27/569368127.db2.gz HIGPLORMAVRGPY-UHFFFAOYSA-N 1 1 411.594 3.670 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C(CO)CO)C1 ZINC000078995781 569423104 /nfs/dbraw/zinc/42/31/04/569423104.db2.gz PFQYJDOUAYRYKT-YWZLYKJASA-N 1 1 423.340 3.596 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)[N@H+]1CC[C@H](C(CO)CO)C1 ZINC000078995781 569423105 /nfs/dbraw/zinc/42/31/05/569423105.db2.gz PFQYJDOUAYRYKT-YWZLYKJASA-N 1 1 423.340 3.596 50 0 HHAAMO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)nc2nc(C(F)(F)F)nn21 ZINC000078995890 569423207 /nfs/dbraw/zinc/42/32/07/569423207.db2.gz SPHFOUHVWRLHTD-MRXNPFEDSA-N 1 1 421.423 3.888 50 0 HHAAMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)nc2nc(C(F)(F)F)nn21 ZINC000078995890 569423208 /nfs/dbraw/zinc/42/32/08/569423208.db2.gz SPHFOUHVWRLHTD-MRXNPFEDSA-N 1 1 421.423 3.888 50 0 HHAAMO O=C(CCCc1nc(-c2cccs2)no1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040094090 571161829 /nfs/dbraw/zinc/16/18/29/571161829.db2.gz OPKIOPPMAHDRAB-UHFFFAOYSA-N 1 1 416.572 3.917 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000040107140 571167580 /nfs/dbraw/zinc/16/75/80/571167580.db2.gz GHMFPEPEBYQPBT-SFHVURJKSA-N 1 1 414.571 3.536 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(I)cc1 ZINC000040108154 571167815 /nfs/dbraw/zinc/16/78/15/571167815.db2.gz YXRZNWJCVJZMGU-CQSZACIVSA-N 1 1 400.304 3.676 50 0 HHAAMO Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)C ZINC000040157547 571204092 /nfs/dbraw/zinc/20/40/92/571204092.db2.gz LMDCUKVYSGGTTP-HSZRJFAPSA-N 1 1 413.606 3.864 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328865 571225529 /nfs/dbraw/zinc/22/55/29/571225529.db2.gz QHTQETRUAUTZJL-UGKGYDQZSA-N 1 1 401.526 3.500 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000169678070 571315558 /nfs/dbraw/zinc/31/55/58/571315558.db2.gz ZZIPQWFPWLQCEV-CTNGQTDRSA-N 1 1 416.587 3.776 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(OC)ccc4F)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000011816273 962197702 /nfs/dbraw/zinc/19/77/02/962197702.db2.gz GYOCSJYRTQUMFH-OWSXEPHWSA-N 1 1 410.489 3.781 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000011819101 962197761 /nfs/dbraw/zinc/19/77/61/962197761.db2.gz SMQIVJQBFNDWOP-OAQYLSRUSA-N 1 1 418.541 3.864 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)n[nH]2)cc1 ZINC000011819101 962197768 /nfs/dbraw/zinc/19/77/68/962197768.db2.gz SMQIVJQBFNDWOP-OAQYLSRUSA-N 1 1 418.541 3.864 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n[nH]2)cc1 ZINC000011819101 962197774 /nfs/dbraw/zinc/19/77/74/962197774.db2.gz SMQIVJQBFNDWOP-OAQYLSRUSA-N 1 1 418.541 3.864 50 0 HHAAMO COCc1cc(C[N@H+]2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000011821397 962199195 /nfs/dbraw/zinc/19/91/95/962199195.db2.gz UFIZDZNDIBTEHT-HXUWFJFHSA-N 1 1 400.519 3.935 50 0 HHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2cn3ccccc3n2)C1 ZINC000011820348 962199549 /nfs/dbraw/zinc/19/95/49/962199549.db2.gz DMDXXPJDAUNFJS-QFIPXVFZSA-N 1 1 418.585 3.988 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012049268 962228795 /nfs/dbraw/zinc/22/87/95/962228795.db2.gz HPXBJUYQVPSMBS-FQEVSTJZSA-N 1 1 402.535 3.502 50 0 HHAAMO C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012149194 962246296 /nfs/dbraw/zinc/24/62/96/962246296.db2.gz MMUKZBSDIMKJEH-QGZVFWFLSA-N 1 1 422.481 3.838 50 0 HHAAMO CC1=C(CC[N@@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)C(C)(C)CCC1 ZINC000012207546 962253791 /nfs/dbraw/zinc/25/37/91/962253791.db2.gz CJSOHVOLQJZLEQ-UHFFFAOYSA-N 1 1 413.610 3.512 50 0 HHAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000012297955 962266610 /nfs/dbraw/zinc/26/66/10/962266610.db2.gz IDIFAQZMVDDSCP-SFHVURJKSA-N 1 1 407.967 3.719 50 0 HHAAMO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012305674 962268363 /nfs/dbraw/zinc/26/83/63/962268363.db2.gz QQXYHPSUJGFGLE-QGZVFWFLSA-N 1 1 400.885 3.863 50 0 HHAAMO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012305674 962268374 /nfs/dbraw/zinc/26/83/74/962268374.db2.gz QQXYHPSUJGFGLE-QGZVFWFLSA-N 1 1 400.885 3.863 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c(OC)c1 ZINC000012430573 962279075 /nfs/dbraw/zinc/27/90/75/962279075.db2.gz JOHJFVUCKAYXSO-INIZCTEOSA-N 1 1 406.486 3.584 50 0 HHAAMO COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)cn1 ZINC000013595194 962395171 /nfs/dbraw/zinc/39/51/71/962395171.db2.gz GXTDMBWAWOCPGD-JTJYXVOQSA-N 1 1 414.509 3.823 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 ZINC000014954126 962613023 /nfs/dbraw/zinc/61/30/23/962613023.db2.gz ISFFNYAWFDTWES-HSZRJFAPSA-N 1 1 413.493 3.828 50 0 HHAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014950516 962613047 /nfs/dbraw/zinc/61/30/47/962613047.db2.gz SLARTPYQDGFRHH-NRFANRHFSA-N 1 1 421.545 3.820 50 0 HHAAMO COc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CCc4ccccc4)CC[C@@H]32)c(OC)c1 ZINC000014991004 962619554 /nfs/dbraw/zinc/61/95/54/962619554.db2.gz CLBKPPHDNMZZJX-OFNKIYASSA-N 1 1 408.542 3.873 50 0 HHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000015062353 962645639 /nfs/dbraw/zinc/64/56/39/962645639.db2.gz MALQABHXHQJKDJ-LJQANCHMSA-N 1 1 402.432 3.991 50 0 HHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)c1C ZINC000015070664 962647222 /nfs/dbraw/zinc/64/72/22/962647222.db2.gz OHOKUOOBGCXWGS-QHCPKHFHSA-N 1 1 416.516 3.752 50 0 HHAAMO Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)c1C ZINC000015070664 962647228 /nfs/dbraw/zinc/64/72/28/962647228.db2.gz OHOKUOOBGCXWGS-QHCPKHFHSA-N 1 1 416.516 3.752 50 0 HHAAMO Cc1ccnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019890592 963376143 /nfs/dbraw/zinc/37/61/43/963376143.db2.gz XNYXXRJESMAJLQ-UHFFFAOYSA-N 1 1 418.566 3.811 50 0 HHAAMO c1ccc(CCC[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000023359077 963807096 /nfs/dbraw/zinc/80/70/96/963807096.db2.gz GAAXCNYMVQFBCH-DEOSSOPVSA-N 1 1 421.585 3.630 50 0 HHAAMO CCn1c2ccccc2nc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000023375460 963810879 /nfs/dbraw/zinc/81/08/79/963810879.db2.gz HIZUDPWVAHSKOT-HXUWFJFHSA-N 1 1 421.564 3.982 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)/C=C\c1c(C)nn(-c2ccccc2)c1C)[NH+](C)C ZINC000097985633 969182153 /nfs/dbraw/zinc/18/21/53/969182153.db2.gz DNVGLCUSCXKUBD-DHOHLHFPSA-N 1 1 418.541 3.930 50 0 HHAAMO O=S(=O)(c1ccccc1)N1CCC([N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC000169759112 970470450 /nfs/dbraw/zinc/47/04/50/970470450.db2.gz GYPHDLLDDOGGNH-UHFFFAOYSA-N 1 1 414.571 3.521 50 0 HHAAMO CC(=O)N(Cc1nn(C)c2c1C[N@H+](CCCc1ccccc1)CC2)c1ccccc1 ZINC000169764966 970473135 /nfs/dbraw/zinc/47/31/35/970473135.db2.gz PBJGIDLORXOODP-UHFFFAOYSA-N 1 1 402.542 3.964 50 0 HHAAMO O=C(NCc1ccccc1F)c1ccc2c(c1)C[N@@H+](C1CCSCC1)CCO2 ZINC000169776598 970478177 /nfs/dbraw/zinc/47/81/77/970478177.db2.gz UVBXQVZLFAEYCK-UHFFFAOYSA-N 1 1 400.519 3.846 50 0 HHAAMO Cc1cc(C)n(CCC(=O)N2CCC3(CC2)C[C@H]([N@@H+](C)Cc2ccccc2)CCO3)n1 ZINC000169784568 970482035 /nfs/dbraw/zinc/48/20/35/970482035.db2.gz NGOHWVQOIMJQNT-HSZRJFAPSA-N 1 1 424.589 3.562 50 0 HHAAMO O=C1CC[N@@H+](Cc2cccc(F)c2)CCC[C@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257197155 970626473 /nfs/dbraw/zinc/62/64/73/970626473.db2.gz ZNXGQPDRBWIWJO-SFHVURJKSA-N 1 1 423.492 3.547 50 0 HHAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCc3sccc3C2)Cc2cc(OC)ccc2O1 ZINC000299791957 970723576 /nfs/dbraw/zinc/72/35/76/970723576.db2.gz DLLCDWVOLMDSMP-SFHVURJKSA-N 1 1 400.544 3.705 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2c3[nH]cnc3CC[N@H+]2C(C)C)CC1 ZINC000409419669 972890330 /nfs/dbraw/zinc/89/03/30/972890330.db2.gz APSNVTAJWCXJBP-OAQYLSRUSA-N 1 1 416.953 3.932 50 0 HHAAMO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc5c(c4)OCO5)CC2)n1)CCCC3 ZINC000002848588 132258504 /nfs/dbraw/zinc/25/85/04/132258504.db2.gz KNWVPAMBLJCVNQ-UHFFFAOYSA-N 1 1 422.554 3.929 50 0 HHAAMO CCOc1ccc(CN2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000004712103 132285295 /nfs/dbraw/zinc/28/52/95/132285295.db2.gz YGNYOMUYELCKJX-UHFFFAOYSA-N 1 1 409.574 3.881 50 0 HHAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006978669 132321806 /nfs/dbraw/zinc/32/18/06/132321806.db2.gz DLZQPHPDYZNUFK-OAHLLOKOSA-N 1 1 420.538 3.850 50 0 HHAAMO O=S(=O)(c1ccccc1F)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000007983080 132326414 /nfs/dbraw/zinc/32/64/14/132326414.db2.gz OPSDVTGTUHWRCD-UHFFFAOYSA-N 1 1 405.882 3.538 50 0 HHAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)CC1 ZINC000011694508 132349280 /nfs/dbraw/zinc/34/92/80/132349280.db2.gz WXJDQWHXLNALPV-UHFFFAOYSA-N 1 1 406.465 3.679 50 0 HHAAMO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000012545817 132362807 /nfs/dbraw/zinc/36/28/07/132362807.db2.gz UZASZJVPZOQWIY-UHFFFAOYSA-N 1 1 416.525 3.732 50 0 HHAAMO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000012545817 132362809 /nfs/dbraw/zinc/36/28/09/132362809.db2.gz UZASZJVPZOQWIY-UHFFFAOYSA-N 1 1 416.525 3.732 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1Cl ZINC000032902487 522084230 /nfs/dbraw/zinc/08/42/30/522084230.db2.gz KGXNBSHPKSDNBT-OAHLLOKOSA-N 1 1 401.816 3.709 50 0 HHAAMO C[N@@H+](CCNC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000032974454 522842776 /nfs/dbraw/zinc/84/27/76/522842776.db2.gz WJNNLCZLLQZRPG-UHFFFAOYSA-N 1 1 419.997 3.963 50 0 HHAAMO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888414 523011573 /nfs/dbraw/zinc/01/15/73/523011573.db2.gz AFDYZOZTUHUSTA-XLIONFOSSA-N 1 1 414.546 3.532 50 0 HHAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)cc1 ZINC000020591625 523081146 /nfs/dbraw/zinc/08/11/46/523081146.db2.gz PECWLVBNTYMCNI-IAGOWNOFSA-N 1 1 423.513 3.946 50 0 HHAAMO COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000032930073 523790886 /nfs/dbraw/zinc/79/08/86/523790886.db2.gz NSTLFBBVBFKLPG-SFHVURJKSA-N 1 1 408.542 3.989 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032905340 523940227 /nfs/dbraw/zinc/94/02/27/523940227.db2.gz HLVSBLDJJHWHFA-KRWDZBQOSA-N 1 1 413.518 3.532 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355883 524102740 /nfs/dbraw/zinc/10/27/40/524102740.db2.gz GKIRZNSLEGDCFS-CYBMUJFWSA-N 1 1 422.501 3.668 50 0 HHAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020599874 524384027 /nfs/dbraw/zinc/38/40/27/524384027.db2.gz LNHTVYXMFKWMCQ-JOCHJYFZSA-N 1 1 421.545 3.673 50 0 HHAAMO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000032786714 525574988 /nfs/dbraw/zinc/57/49/88/525574988.db2.gz QXCMZVJUFWANHY-UHFFFAOYSA-N 1 1 410.468 3.807 50 0 HHAAMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000032786714 525574998 /nfs/dbraw/zinc/57/49/98/525574998.db2.gz QXCMZVJUFWANHY-UHFFFAOYSA-N 1 1 410.468 3.807 50 0 HHAAMO Cc1cnc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000020572557 525966387 /nfs/dbraw/zinc/96/63/87/525966387.db2.gz YJSORYBZJBHPMQ-NRFANRHFSA-N 1 1 407.562 3.867 50 0 HHAAMO O=C(COC(c1ccccc1)c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032897201 526919628 /nfs/dbraw/zinc/91/96/28/526919628.db2.gz SGNPQPNPIHDEEN-UHFFFAOYSA-N 1 1 422.569 3.944 50 0 HHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000044918121 527002153 /nfs/dbraw/zinc/00/21/53/527002153.db2.gz WNLJEHMNGCJXKS-UHFFFAOYSA-N 1 1 411.285 3.950 50 0 HHAAMO OCC[C@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600937 527571779 /nfs/dbraw/zinc/57/17/79/527571779.db2.gz LOGUSFOQXAHZOA-QFIPXVFZSA-N 1 1 415.528 3.502 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000002212572 535550226 /nfs/dbraw/zinc/55/02/26/535550226.db2.gz GCEXEQFACKFRMH-ORMOWBNMSA-N 1 1 409.917 3.942 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740516 557443856 /nfs/dbraw/zinc/44/38/56/557443856.db2.gz PAGXHOBXHCWNQO-SIKLNZKXSA-N 1 1 402.510 3.765 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740527 557444126 /nfs/dbraw/zinc/44/41/26/557444126.db2.gz QNFNKYWEFPREMI-NFBKMPQASA-N 1 1 413.537 3.567 50 0 HHAAMO CCCc1cc(N2CCN(c3cccc(C)[nH+]3)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000005345572 557646047 /nfs/dbraw/zinc/64/60/47/557646047.db2.gz FUFHNZOKTLHSEV-UHFFFAOYSA-N 1 1 415.545 3.877 50 0 HHAAMO O[C@@H](COc1ccccc1-c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022918037 558260757 /nfs/dbraw/zinc/26/07/57/558260757.db2.gz XRFMRRPTNKCBRI-XMMPIXPASA-N 1 1 402.538 3.911 50 0 HHAAMO Cn1c(C[N@@H+]2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)nc2ccccc21 ZINC000011662029 558265837 /nfs/dbraw/zinc/26/58/37/558265837.db2.gz PYBRLLFZXKBTPT-QGZVFWFLSA-N 1 1 401.514 3.697 50 0 HHAAMO Cn1c(C[N@H+]2CCC[C@H](CNC(=O)c3cc4ccccc4[nH]3)C2)nc2ccccc21 ZINC000011662029 558265840 /nfs/dbraw/zinc/26/58/40/558265840.db2.gz PYBRLLFZXKBTPT-QGZVFWFLSA-N 1 1 401.514 3.697 50 0 HHAAMO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2nc3ccccc3n2C)CC1 ZINC000011664197 558267849 /nfs/dbraw/zinc/26/78/49/558267849.db2.gz ADARXOBYNRIPBP-UHFFFAOYSA-N 1 1 406.574 3.968 50 0 HHAAMO CCn1ccnc1C[NH+]1CCC(CCC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000011664691 558268163 /nfs/dbraw/zinc/26/81/63/558268163.db2.gz RZRSCBFAAYGXGT-UHFFFAOYSA-N 1 1 400.523 3.551 50 0 HHAAMO Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011706269 558270826 /nfs/dbraw/zinc/27/08/26/558270826.db2.gz PRLKWGCKHYEYAG-QHCPKHFHSA-N 1 1 409.574 3.925 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011874580 558292188 /nfs/dbraw/zinc/29/21/88/558292188.db2.gz XJRHAHBVEHAJEV-FQEVSTJZSA-N 1 1 418.497 3.510 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC ZINC000011953857 558303326 /nfs/dbraw/zinc/30/33/26/558303326.db2.gz NOOBJGHOARGYBZ-QFIPXVFZSA-N 1 1 400.544 3.894 50 0 HHAAMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)no1 ZINC000012000799 558308119 /nfs/dbraw/zinc/30/81/19/558308119.db2.gz UXDMTNOZUKAROV-OAHLLOKOSA-N 1 1 400.504 3.650 50 0 HHAAMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)no1 ZINC000012000799 558308121 /nfs/dbraw/zinc/30/81/21/558308121.db2.gz UXDMTNOZUKAROV-OAHLLOKOSA-N 1 1 400.504 3.650 50 0 HHAAMO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(F)c1F)CC2 ZINC000012041426 558313062 /nfs/dbraw/zinc/31/30/62/558313062.db2.gz SDWAQYPBSRLGDL-IBGZPJMESA-N 1 1 414.496 3.934 50 0 HHAAMO CC[C@@H]1C[N@H+](CCNC(=O)CCCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012056685 558316092 /nfs/dbraw/zinc/31/60/92/558316092.db2.gz UHCJQINAAMXHIT-GOSISDBHSA-N 1 1 402.560 3.869 50 0 HHAAMO CC[C@@H]1C[N@@H+](CCNC(=O)CCCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012056685 558316093 /nfs/dbraw/zinc/31/60/93/558316093.db2.gz UHCJQINAAMXHIT-GOSISDBHSA-N 1 1 402.560 3.869 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@@H]2COCCO2)c(F)c1 ZINC000012092487 558324520 /nfs/dbraw/zinc/32/45/20/558324520.db2.gz GXGCRHVTYQJWIX-HXUWFJFHSA-N 1 1 411.477 3.534 50 0 HHAAMO CCn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209416 558347195 /nfs/dbraw/zinc/34/71/95/558347195.db2.gz ACZGIABLTCIOOI-NRFANRHFSA-N 1 1 421.511 3.708 50 0 HHAAMO CCn1cc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209416 558347198 /nfs/dbraw/zinc/34/71/98/558347198.db2.gz ACZGIABLTCIOOI-NRFANRHFSA-N 1 1 421.511 3.708 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012192846 558348406 /nfs/dbraw/zinc/34/84/06/558348406.db2.gz IYFUYGMCDZTTEV-NRFANRHFSA-N 1 1 420.532 3.952 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012192846 558348408 /nfs/dbraw/zinc/34/84/08/558348408.db2.gz IYFUYGMCDZTTEV-NRFANRHFSA-N 1 1 420.532 3.952 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000012297450 558367666 /nfs/dbraw/zinc/36/76/66/558367666.db2.gz UOIGHMYZAOUXQP-IBGZPJMESA-N 1 1 424.541 3.790 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 ZINC000012298876 558369075 /nfs/dbraw/zinc/36/90/75/558369075.db2.gz JASKYEOPUKLTNW-KRWDZBQOSA-N 1 1 415.534 3.748 50 0 HHAAMO CN(Cc1cccnc1)c1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000012304231 558373676 /nfs/dbraw/zinc/37/36/76/558373676.db2.gz NMALITILEKSLJF-UHFFFAOYSA-N 1 1 407.562 3.594 50 0 HHAAMO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc2[nH]nnc2c1 ZINC000012305470 558374470 /nfs/dbraw/zinc/37/44/70/558374470.db2.gz KHZQFSYVDNYEOV-UHFFFAOYSA-N 1 1 411.937 3.638 50 0 HHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCc3ccccn3)n2)cc1 ZINC000012308613 558377013 /nfs/dbraw/zinc/37/70/13/558377013.db2.gz SEXCPDLIPHGOMM-HXUWFJFHSA-N 1 1 406.486 3.906 50 0 HHAAMO CC(C)Cc1nc2oc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020533188 558384378 /nfs/dbraw/zinc/38/43/78/558384378.db2.gz RBJGUIWGDFBRMK-UHFFFAOYSA-N 1 1 409.534 3.592 50 0 HHAAMO COc1ccc(C[N@@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000012333271 558385788 /nfs/dbraw/zinc/38/57/88/558385788.db2.gz UWPNJDCQJVMWBY-UHFFFAOYSA-N 1 1 422.447 3.957 50 0 HHAAMO COc1ccc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000012387458 558396389 /nfs/dbraw/zinc/39/63/89/558396389.db2.gz QLFUIJDMDPHWOX-MZMBWCASSA-N 1 1 418.537 3.983 50 0 HHAAMO Cc1c(C)n(-c2nc3ccccc3s2)c2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000020648880 558397642 /nfs/dbraw/zinc/39/76/42/558397642.db2.gz WEDXRHNUGJUMSU-UHFFFAOYSA-N 1 1 422.558 3.781 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012434950 558408616 /nfs/dbraw/zinc/40/86/16/558408616.db2.gz KGNWLOPCLXOSPX-HXUWFJFHSA-N 1 1 407.558 3.710 50 0 HHAAMO Cn1c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)nc2ccccc21 ZINC000020780953 558412935 /nfs/dbraw/zinc/41/29/35/558412935.db2.gz KZBSXOQJZBGMBL-UHFFFAOYSA-N 1 1 418.541 3.853 50 0 HHAAMO C[C@H](Cc1ccccc1F)[N@@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012457103 558417551 /nfs/dbraw/zinc/41/75/51/558417551.db2.gz SEFFOPUJLQTDRQ-OAHLLOKOSA-N 1 1 418.896 3.873 50 0 HHAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012457466 558417799 /nfs/dbraw/zinc/41/77/99/558417799.db2.gz DHFDKUAEXIXZER-SFHVURJKSA-N 1 1 400.475 3.744 50 0 HHAAMO Cc1csc2ncnc(-c3cccc(-c4ccn(CC[NH+]5CCOCC5)n4)c3)c12 ZINC000020996511 558427204 /nfs/dbraw/zinc/42/72/04/558427204.db2.gz FTWJUJWJPOQKTC-UHFFFAOYSA-N 1 1 405.527 3.862 50 0 HHAAMO CC(C)C[N@@H+]1CCO[C@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)C1 ZINC000022089059 558463241 /nfs/dbraw/zinc/46/32/41/558463241.db2.gz WLJIYGVHGCUBIC-KBPBESRZSA-N 1 1 407.605 3.558 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)C1 ZINC000022089059 558463243 /nfs/dbraw/zinc/46/32/43/558463243.db2.gz WLJIYGVHGCUBIC-KBPBESRZSA-N 1 1 407.605 3.558 50 0 HHAAMO O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012802744 558472247 /nfs/dbraw/zinc/47/22/47/558472247.db2.gz VRXMMHHXBXJTRR-XUZZJYLKSA-N 1 1 423.557 3.957 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1Cl ZINC000022619845 558503046 /nfs/dbraw/zinc/50/30/46/558503046.db2.gz GSXXSJGPUILWIZ-KRWDZBQOSA-N 1 1 403.935 3.807 50 0 HHAAMO C[NH+]1CCN([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)c2cccs2)CC1 ZINC000022789493 558511820 /nfs/dbraw/zinc/51/18/20/558511820.db2.gz VSGMIHUOQYTRNJ-JOCHJYFZSA-N 1 1 419.594 3.985 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000022913993 558520806 /nfs/dbraw/zinc/52/08/06/558520806.db2.gz RYBJXWMGSWQGKJ-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000022913993 558520809 /nfs/dbraw/zinc/52/08/09/558520809.db2.gz RYBJXWMGSWQGKJ-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000022913993 558520810 /nfs/dbraw/zinc/52/08/10/558520810.db2.gz RYBJXWMGSWQGKJ-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000022913993 558520813 /nfs/dbraw/zinc/52/08/13/558520813.db2.gz RYBJXWMGSWQGKJ-QHCPKHFHSA-N 1 1 420.557 3.544 50 0 HHAAMO Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CC[NH+](C)CC2)o1 ZINC000022938387 558527369 /nfs/dbraw/zinc/52/73/69/558527369.db2.gz GJCHFKZVQNFILX-QHCPKHFHSA-N 1 1 417.553 3.825 50 0 HHAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374658 558554060 /nfs/dbraw/zinc/55/40/60/558554060.db2.gz JIGSNCQNCGVDRW-LHLOKTHNSA-N 1 1 419.569 3.711 50 0 HHAAMO C(=C/c1ccccc1)\CN1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374658 558554065 /nfs/dbraw/zinc/55/40/65/558554065.db2.gz JIGSNCQNCGVDRW-LHLOKTHNSA-N 1 1 419.569 3.711 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000023908471 558581129 /nfs/dbraw/zinc/58/11/29/558581129.db2.gz CLRXPTNMBCAPNK-XMMPIXPASA-N 1 1 402.494 3.950 50 0 HHAAMO COC(=O)c1c2c(sc1NC(=S)N1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000013828077 558596360 /nfs/dbraw/zinc/59/63/60/558596360.db2.gz SHJSKQQIRVGFSE-UHFFFAOYSA-N 1 1 415.584 3.538 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccnc1Oc1ccccc1 ZINC000024927466 558621132 /nfs/dbraw/zinc/62/11/32/558621132.db2.gz SJTGQJQVXDYHGU-UHFFFAOYSA-N 1 1 403.482 3.636 50 0 HHAAMO CC(C)C[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000026063946 558654743 /nfs/dbraw/zinc/65/47/43/558654743.db2.gz FQOJIEAJARRCQP-HSZRJFAPSA-N 1 1 410.558 3.656 50 0 HHAAMO C[C@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000026173128 558656768 /nfs/dbraw/zinc/65/67/68/558656768.db2.gz WYTWCMWAKPFZQN-MSOLQXFVSA-N 1 1 420.557 3.842 50 0 HHAAMO CCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1nc2ccccc2s1 ZINC000027573155 558675219 /nfs/dbraw/zinc/67/52/19/558675219.db2.gz KXHVLGJUFMYXFQ-QGZVFWFLSA-N 1 1 422.554 4.000 50 0 HHAAMO CCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1nc2ccccc2s1 ZINC000027573155 558675223 /nfs/dbraw/zinc/67/52/23/558675223.db2.gz KXHVLGJUFMYXFQ-QGZVFWFLSA-N 1 1 422.554 4.000 50 0 HHAAMO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCC(c2ccccc2)=N1 ZINC000027574619 558675565 /nfs/dbraw/zinc/67/55/65/558675565.db2.gz LOLQJVJGKFWOJS-UHFFFAOYSA-N 1 1 405.498 3.797 50 0 HHAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)N1CCC(c2ccccc2)=N1 ZINC000027574619 558675567 /nfs/dbraw/zinc/67/55/67/558675567.db2.gz LOLQJVJGKFWOJS-UHFFFAOYSA-N 1 1 405.498 3.797 50 0 HHAAMO C[N@H+]1CCCN(C(=O)[C@@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 ZINC000014953930 558681719 /nfs/dbraw/zinc/68/17/19/558681719.db2.gz BGKCSEGBOWRPAW-LDETYFQJSA-N 1 1 401.982 3.533 50 0 HHAAMO CCCc1ncc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cn1 ZINC000014954460 558681957 /nfs/dbraw/zinc/68/19/57/558681957.db2.gz LBCMGDNNVFWBDK-UHFFFAOYSA-N 1 1 422.529 3.662 50 0 HHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc5nonc54)C3)C2)c1 ZINC000014955557 558682197 /nfs/dbraw/zinc/68/21/97/558682197.db2.gz AIICRLOWZVFDHU-HSZRJFAPSA-N 1 1 410.493 3.859 50 0 HHAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014955636 558682268 /nfs/dbraw/zinc/68/22/68/558682268.db2.gz MOJABNPCIKVSHX-GOSISDBHSA-N 1 1 423.483 3.579 50 0 HHAAMO CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014980541 558691074 /nfs/dbraw/zinc/69/10/74/558691074.db2.gz AZWYUZJTAYIZQH-QGZVFWFLSA-N 1 1 413.566 3.659 50 0 HHAAMO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000072277371 558703502 /nfs/dbraw/zinc/70/35/02/558703502.db2.gz LPDKOVIRMUYWOW-NFBKMPQASA-N 1 1 409.574 3.660 50 0 HHAAMO C[C@H](CN1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 ZINC000015066200 558709231 /nfs/dbraw/zinc/70/92/31/558709231.db2.gz LZJNBBJFEWDGHK-OAQYLSRUSA-N 1 1 420.601 3.678 50 0 HHAAMO C[C@H](C[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1)c1ccccc1 ZINC000015066200 558709233 /nfs/dbraw/zinc/70/92/33/558709233.db2.gz LZJNBBJFEWDGHK-OAQYLSRUSA-N 1 1 420.601 3.678 50 0 HHAAMO O=C1CC[N@H+](C2CCN(CCc3ccccc3)CC2)CCN1Cc1cccc(F)c1 ZINC000015071316 558713004 /nfs/dbraw/zinc/71/30/04/558713004.db2.gz VVSYXDGBFDPENE-UHFFFAOYSA-N 1 1 409.549 3.567 50 0 HHAAMO O=C1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)CCN1Cc1cccc(F)c1 ZINC000015071316 558713011 /nfs/dbraw/zinc/71/30/11/558713011.db2.gz VVSYXDGBFDPENE-UHFFFAOYSA-N 1 1 409.549 3.567 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000015971690 558764653 /nfs/dbraw/zinc/76/46/53/558764653.db2.gz GUKMKSGIQMCCDG-FXCLAUTBSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000015971690 558764656 /nfs/dbraw/zinc/76/46/56/558764656.db2.gz GUKMKSGIQMCCDG-FXCLAUTBSA-N 1 1 411.889 3.619 50 0 HHAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004585917 558781365 /nfs/dbraw/zinc/78/13/65/558781365.db2.gz UFXLININODCTHK-JOCHJYFZSA-N 1 1 404.526 3.838 50 0 HHAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016345317 558787116 /nfs/dbraw/zinc/78/71/16/558787116.db2.gz ICKFXHMLUVBSGS-OAHLLOKOSA-N 1 1 407.436 3.795 50 0 HHAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016345317 558787117 /nfs/dbraw/zinc/78/71/17/558787117.db2.gz ICKFXHMLUVBSGS-OAHLLOKOSA-N 1 1 407.436 3.795 50 0 HHAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CC(=O)Nc2ccccc21 ZINC000016607464 558796645 /nfs/dbraw/zinc/79/66/45/558796645.db2.gz AXYMBLIQFUMSOG-UHFFFAOYSA-N 1 1 401.869 3.676 50 0 HHAAMO Cc1cc2nc3sc(C(=O)NCC[N@H+](C)C4CCCCC4)cc(=O)n3c2cc1C ZINC000033009120 558828310 /nfs/dbraw/zinc/82/83/10/558828310.db2.gz CAIDVFDTULNRQF-UHFFFAOYSA-N 1 1 412.559 3.520 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019143830 558846399 /nfs/dbraw/zinc/84/63/99/558846399.db2.gz HHYWISDZPYYVPE-QFIPXVFZSA-N 1 1 406.574 3.731 50 0 HHAAMO O=c1c(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)coc2ccc(Cl)cc12 ZINC000019225491 558852593 /nfs/dbraw/zinc/85/25/93/558852593.db2.gz YEXOWZSOQNYHEK-LJQANCHMSA-N 1 1 404.938 3.648 50 0 HHAAMO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)nc2c1 ZINC000033072155 558866833 /nfs/dbraw/zinc/86/68/33/558866833.db2.gz RQOHMKRWGOOVBS-IBGZPJMESA-N 1 1 411.594 3.859 50 0 HHAAMO Cc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)[nH]c2c1 ZINC000033072155 558866834 /nfs/dbraw/zinc/86/68/34/558866834.db2.gz RQOHMKRWGOOVBS-IBGZPJMESA-N 1 1 411.594 3.859 50 0 HHAAMO Cc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)[nH]c2c1 ZINC000033072155 558866836 /nfs/dbraw/zinc/86/68/36/558866836.db2.gz RQOHMKRWGOOVBS-IBGZPJMESA-N 1 1 411.594 3.859 50 0 HHAAMO CC(=O)c1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055098911 558872097 /nfs/dbraw/zinc/87/20/97/558872097.db2.gz VJHQNZHDYZRZOU-OAQYLSRUSA-N 1 1 405.542 3.624 50 0 HHAAMO COc1ccc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)c(OC)c1OC ZINC000019361438 558876328 /nfs/dbraw/zinc/87/63/28/558876328.db2.gz OLGZSFZFCNJVRR-UHFFFAOYSA-N 1 1 402.560 3.752 50 0 HHAAMO CN1CCC([N@H+](C)C[C@@H](NC(=O)Cc2cccc3cccnc32)c2ccccc2)CC1 ZINC000058210603 558912069 /nfs/dbraw/zinc/91/20/69/558912069.db2.gz JZLLGBLEYDWDHE-XMMPIXPASA-N 1 1 416.569 3.661 50 0 HHAAMO CN1CCC([N@@H+](C)C[C@@H](NC(=O)Cc2cccc3cccnc32)c2ccccc2)CC1 ZINC000058210603 558912071 /nfs/dbraw/zinc/91/20/71/558912071.db2.gz JZLLGBLEYDWDHE-XMMPIXPASA-N 1 1 416.569 3.661 50 0 HHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(Nc3ccccc3C)CC2)c1 ZINC000058245964 558914697 /nfs/dbraw/zinc/91/46/97/558914697.db2.gz DGBXTHJRMCYILL-SFHVURJKSA-N 1 1 411.546 3.766 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058420980 558925853 /nfs/dbraw/zinc/92/58/53/558925853.db2.gz HBNNDWATDWCNGP-VQTJNVASSA-N 1 1 413.512 3.820 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](CCc4ccccn4)C3)CC2)c1 ZINC000072144482 558929577 /nfs/dbraw/zinc/92/95/77/558929577.db2.gz ZHEUDDWSXSRLRF-QFIPXVFZSA-N 1 1 418.507 3.930 50 0 HHAAMO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(CCc4ccccn4)C3)CC2)c1 ZINC000072144482 558929580 /nfs/dbraw/zinc/92/95/80/558929580.db2.gz ZHEUDDWSXSRLRF-QFIPXVFZSA-N 1 1 418.507 3.930 50 0 HHAAMO O=C(c1csc(-c2ccccc2)n1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000060063203 558940844 /nfs/dbraw/zinc/94/08/44/558940844.db2.gz QQPKWMDDCJOKSD-UHFFFAOYSA-N 1 1 413.465 3.537 50 0 HHAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000019595414 558946092 /nfs/dbraw/zinc/94/60/92/558946092.db2.gz ZHIVGRALHDLEIU-NRFANRHFSA-N 1 1 410.949 3.595 50 0 HHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063855454 558959614 /nfs/dbraw/zinc/95/96/14/558959614.db2.gz VFLIFDOOJMXPBY-INIZCTEOSA-N 1 1 409.509 3.985 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCNC(=O)CC2)cc1OC ZINC000072479175 558983821 /nfs/dbraw/zinc/98/38/21/558983821.db2.gz UVIRDTRBTISQAJ-UHFFFAOYSA-N 1 1 405.498 3.549 50 0 HHAAMO C[C@@H](c1ccon1)N(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067606022 558988782 /nfs/dbraw/zinc/98/87/82/558988782.db2.gz MYZNRSXCVJHJQI-KRWDZBQOSA-N 1 1 408.502 3.951 50 0 HHAAMO Cc1ccnn1CCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000077345047 559001975 /nfs/dbraw/zinc/00/19/75/559001975.db2.gz IWVRXLGWAGDTAJ-FQEVSTJZSA-N 1 1 402.970 3.648 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)C(C)C)CC1 ZINC000023181690 559031435 /nfs/dbraw/zinc/03/14/35/559031435.db2.gz AGRGHJOZAUWQAS-LAUBAEHRSA-N 1 1 401.576 3.781 50 0 HHAAMO O=C1CCC2(CC[NH+](Cc3ccc(F)c(F)c3F)CC2)CN1Cc1cccnc1 ZINC000091486905 559071780 /nfs/dbraw/zinc/07/17/80/559071780.db2.gz HLCSRUCHNBSEQV-UHFFFAOYSA-N 1 1 403.448 3.904 50 0 HHAAMO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1Cc1cccs1 ZINC000095508633 559083511 /nfs/dbraw/zinc/08/35/11/559083511.db2.gz MADWWQPWNAMDTR-IBGZPJMESA-N 1 1 404.963 3.746 50 0 HHAAMO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cnc[nH]2)CC1 ZINC000095528937 559086462 /nfs/dbraw/zinc/08/64/62/559086462.db2.gz WROMWLRNEMOJJC-UHFFFAOYSA-N 1 1 403.530 3.668 50 0 HHAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468993 559118946 /nfs/dbraw/zinc/11/89/46/559118946.db2.gz AFJONKXKVPKHIE-HSZRJFAPSA-N 1 1 415.585 3.967 50 0 HHAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468993 559118947 /nfs/dbraw/zinc/11/89/47/559118947.db2.gz AFJONKXKVPKHIE-HSZRJFAPSA-N 1 1 415.585 3.967 50 0 HHAAMO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cccc3c2OCO3)C[C@@]1(C)CO ZINC000097468995 559118977 /nfs/dbraw/zinc/11/89/77/559118977.db2.gz UOTWNGAPCSZWCF-JZWVFAODSA-N 1 1 416.949 3.992 50 0 HHAAMO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cccc3c2OCO3)C[C@@]1(C)CO ZINC000097468995 559118978 /nfs/dbraw/zinc/11/89/78/559118978.db2.gz UOTWNGAPCSZWCF-JZWVFAODSA-N 1 1 416.949 3.992 50 0 HHAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022885 559187804 /nfs/dbraw/zinc/18/78/04/559187804.db2.gz LYKODIIJGXCNLM-XMMPIXPASA-N 1 1 421.516 3.933 50 0 HHAAMO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199271 559189883 /nfs/dbraw/zinc/18/98/83/559189883.db2.gz XXEFNKUKVVUJPS-TWRVUUBYSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199271 559189885 /nfs/dbraw/zinc/18/98/85/559189885.db2.gz XXEFNKUKVVUJPS-TWRVUUBYSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C(c1cc(-c2cccnc2)[nH]n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199271 559189886 /nfs/dbraw/zinc/18/98/86/559189886.db2.gz XXEFNKUKVVUJPS-TWRVUUBYSA-N 1 1 403.530 3.507 50 0 HHAAMO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cnn(-c4ccccc4)c3)[N@H+]3CCC[C@@]123 ZINC000011815471 559260375 /nfs/dbraw/zinc/26/03/75/559260375.db2.gz LQPPDYYHHJFVCM-GVUKDKGQSA-N 1 1 412.537 3.853 50 0 HHAAMO O=C(Cc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000046623245 560559758 /nfs/dbraw/zinc/55/97/58/560559758.db2.gz BNTHOLVAXICJRT-UHFFFAOYSA-N 1 1 419.491 3.572 50 0 HHAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3C)c(=O)c2C1 ZINC000062007145 560566360 /nfs/dbraw/zinc/56/63/60/560566360.db2.gz OGTNDSGMFBFQMV-UHFFFAOYSA-N 1 1 416.525 3.544 50 0 HHAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CC)c2cc(OC)ccc2n1C ZINC000005490240 560598090 /nfs/dbraw/zinc/59/80/90/560598090.db2.gz NEMWHDCVHYOYMG-HNNXBMFYSA-N 1 1 401.507 3.567 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000018217100 560784911 /nfs/dbraw/zinc/78/49/11/560784911.db2.gz QNBKNIXCWNQQGN-UHFFFAOYSA-N 1 1 403.526 3.809 50 0 HHAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)[nH]n2)cc1 ZINC000051315884 560856176 /nfs/dbraw/zinc/85/61/76/560856176.db2.gz YNLDMUOGALQLPI-UHFFFAOYSA-N 1 1 404.514 3.654 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000106395612 560891186 /nfs/dbraw/zinc/89/11/86/560891186.db2.gz INFIXQIOBXSUDV-RBUKOAKNSA-N 1 1 418.557 3.840 50 0 HHAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000106920222 560894508 /nfs/dbraw/zinc/89/45/08/560894508.db2.gz JWPAGRZVYIALCU-ZJSXRUAMSA-N 1 1 408.542 3.839 50 0 HHAAMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 ZINC000048333432 568439632 /nfs/dbraw/zinc/43/96/32/568439632.db2.gz QWTUJOGJDKYOCL-UHFFFAOYSA-N 1 1 417.619 3.594 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214617 568594684 /nfs/dbraw/zinc/59/46/84/568594684.db2.gz CTEHOTDYYWVWMF-NRFANRHFSA-N 1 1 415.534 3.521 50 0 HHAAMO CCc1nsc(N2CC[NH+](CC3(COc4cccc(COC)c4)CCC3)CC2)n1 ZINC000095448112 568612499 /nfs/dbraw/zinc/61/24/99/568612499.db2.gz OHTDLSXIWBBIQW-UHFFFAOYSA-N 1 1 416.591 3.618 50 0 HHAAMO COC(=O)C1CCN(CCC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000095448117 568612508 /nfs/dbraw/zinc/61/25/08/568612508.db2.gz JZTMJBBCHQCNTQ-UHFFFAOYSA-N 1 1 413.537 3.541 50 0 HHAAMO COC(=O)C1CC[NH+](CCCN(CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000095448117 568612509 /nfs/dbraw/zinc/61/25/09/568612509.db2.gz JZTMJBBCHQCNTQ-UHFFFAOYSA-N 1 1 413.537 3.541 50 0 HHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cc1OC ZINC000095462503 568621539 /nfs/dbraw/zinc/62/15/39/568621539.db2.gz GJPYLTZPPILGGG-HNNXBMFYSA-N 1 1 406.486 3.696 50 0 HHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cc1OC ZINC000095462503 568621541 /nfs/dbraw/zinc/62/15/41/568621541.db2.gz GJPYLTZPPILGGG-HNNXBMFYSA-N 1 1 406.486 3.696 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000020807249 568644024 /nfs/dbraw/zinc/64/40/24/568644024.db2.gz UUOGLYJSXAZDQO-SFHVURJKSA-N 1 1 404.938 3.527 50 0 HHAAMO COc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)n2cccc2)cc1 ZINC000020997554 568657076 /nfs/dbraw/zinc/65/70/76/568657076.db2.gz JJJHXICWMNUHEC-XMMPIXPASA-N 1 1 403.526 3.821 50 0 HHAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1OCc1cscn1 ZINC000095948629 568665615 /nfs/dbraw/zinc/66/56/15/568665615.db2.gz YVKYAVOFVAMWFA-HXUWFJFHSA-N 1 1 423.538 3.860 50 0 HHAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OCc1cscn1 ZINC000095948629 568665617 /nfs/dbraw/zinc/66/56/17/568665617.db2.gz YVKYAVOFVAMWFA-HXUWFJFHSA-N 1 1 423.538 3.860 50 0 HHAAMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3c(C)noc3-c3ccccc3)C2)cc(OC)c1 ZINC000096012452 568684767 /nfs/dbraw/zinc/68/47/67/568684767.db2.gz QSWDCBAMGYCSIV-LJQANCHMSA-N 1 1 421.497 3.672 50 0 HHAAMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3c(C)noc3-c3ccccc3)C2)cc(OC)c1 ZINC000096012452 568684770 /nfs/dbraw/zinc/68/47/70/568684770.db2.gz QSWDCBAMGYCSIV-LJQANCHMSA-N 1 1 421.497 3.672 50 0 HHAAMO O=C(O[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000096026673 568686756 /nfs/dbraw/zinc/68/67/56/568686756.db2.gz GPQNKPHQEHQXEP-XMMPIXPASA-N 1 1 401.506 3.783 50 0 HHAAMO COc1ccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000229428253 568713972 /nfs/dbraw/zinc/71/39/72/568713972.db2.gz JJYFSVXSZXCTHI-UYAOXDASSA-N 1 1 402.560 3.741 50 0 HHAAMO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@](C)(CO)c3cccc(O)c3)cc2)cc1 ZINC000241383303 568731291 /nfs/dbraw/zinc/73/12/91/568731291.db2.gz MUDAGQMRHGJERK-HSZRJFAPSA-N 1 1 411.523 3.531 50 0 HHAAMO Cc1cc(-c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)s2)on1 ZINC000096323466 568731912 /nfs/dbraw/zinc/73/19/12/568731912.db2.gz IFDOBVXJMJEOBQ-UHFFFAOYSA-N 1 1 409.577 3.659 50 0 HHAAMO 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50 0 HHAAMO CCCCC[C@H](C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012888527 569019758 /nfs/dbraw/zinc/01/97/58/569019758.db2.gz DVNXQFOFUSZRLE-INIZCTEOSA-N 1 1 400.489 3.698 50 0 HHAAMO O=C(/C=C\c1c(Cl)nc2sccn12)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000212010955 569019915 /nfs/dbraw/zinc/01/99/15/569019915.db2.gz MAEWQHOOFCQRSH-WLMCBFPDSA-N 1 1 417.918 3.507 50 0 HHAAMO O=C(/C=C\c1c(Cl)nc2sccn12)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000212010955 569019916 /nfs/dbraw/zinc/01/99/16/569019916.db2.gz MAEWQHOOFCQRSH-WLMCBFPDSA-N 1 1 417.918 3.507 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CC(=O)N2CCCC2)cc1 ZINC000012909174 569021673 /nfs/dbraw/zinc/02/16/73/569021673.db2.gz HZHSQFCNTLSJSB-UHFFFAOYSA-N 1 1 404.514 3.602 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CC(=O)N2CCCC2)cc1 ZINC000012909174 569021674 /nfs/dbraw/zinc/02/16/74/569021674.db2.gz HZHSQFCNTLSJSB-UHFFFAOYSA-N 1 1 404.514 3.602 50 0 HHAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 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KKVJPEKYOQEJFM-GOSISDBHSA-N 1 1 410.511 3.902 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821176 569040747 /nfs/dbraw/zinc/04/07/47/569040747.db2.gz JHUJEIXNUPPYLQ-ZIAGYGMSSA-N 1 1 406.939 3.783 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000229821176 569040748 /nfs/dbraw/zinc/04/07/48/569040748.db2.gz JHUJEIXNUPPYLQ-ZIAGYGMSSA-N 1 1 406.939 3.783 50 0 HHAAMO C[N@@H+](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000035528949 569044105 /nfs/dbraw/zinc/04/41/05/569044105.db2.gz HMKLETUSEVIECB-UHFFFAOYSA-N 1 1 400.567 3.701 50 0 HHAAMO CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000241684876 569054866 /nfs/dbraw/zinc/05/48/66/569054866.db2.gz QFXCTELSOMCKJL-WIYYLYMNSA-N 1 1 401.551 3.546 50 0 HHAAMO C[N@@H+]1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000244884240 569055201 /nfs/dbraw/zinc/05/52/01/569055201.db2.gz YIGBHCPNGVUMGI-IBGZPJMESA-N 1 1 423.586 3.511 50 0 HHAAMO C[N@H+]1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000244884240 569055202 /nfs/dbraw/zinc/05/52/02/569055202.db2.gz YIGBHCPNGVUMGI-IBGZPJMESA-N 1 1 423.586 3.511 50 0 HHAAMO CN1CC[NH+](CCCNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000089382694 569058855 /nfs/dbraw/zinc/05/88/55/569058855.db2.gz XHYQIYCALZRXHM-UHFFFAOYSA-N 1 1 420.479 3.816 50 0 HHAAMO COc1cccc(C(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)c1 ZINC000064450177 569062812 /nfs/dbraw/zinc/06/28/12/569062812.db2.gz ANBLQTLBSIUHND-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO COc1c[nH]c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cc1=O ZINC000426414408 569072871 /nfs/dbraw/zinc/07/28/71/569072871.db2.gz OIYMVVWZWKKFQO-RUZDIDTESA-N 1 1 409.574 3.995 50 0 HHAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145876 569098356 /nfs/dbraw/zinc/09/83/56/569098356.db2.gz CNYLQCZEJARFTE-YADHBBJMSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145876 569098357 /nfs/dbraw/zinc/09/83/57/569098357.db2.gz CNYLQCZEJARFTE-YADHBBJMSA-N 1 1 414.521 3.854 50 0 HHAAMO COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169678535 569125972 /nfs/dbraw/zinc/12/59/72/569125972.db2.gz BNOFXMNAWAIVGP-UPVQGACJSA-N 1 1 405.542 3.939 50 0 HHAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036306716 569129341 /nfs/dbraw/zinc/12/93/41/569129341.db2.gz ANHJMLQGYMZRFP-QGZVFWFLSA-N 1 1 413.493 3.848 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@H](c3ccccc3)C2)cc1 ZINC000036342608 569142163 /nfs/dbraw/zinc/14/21/63/569142163.db2.gz CZBJYTCKRARLBW-QHCPKHFHSA-N 1 1 419.525 3.512 50 0 HHAAMO Cc1ccccc1[S@](=O)Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)o1 ZINC000006895367 569175300 /nfs/dbraw/zinc/17/53/00/569175300.db2.gz KTZVACUHCROSFP-LJAQVGFWSA-N 1 1 414.571 3.986 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000065136772 569183517 /nfs/dbraw/zinc/18/35/17/569183517.db2.gz INFIXQIOBXSUDV-OALUTQOASA-N 1 1 418.557 3.840 50 0 HHAAMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000238899694 569227625 /nfs/dbraw/zinc/22/76/25/569227625.db2.gz HBIHILGQENLYSC-LWYYNNOASA-N 1 1 407.599 3.698 50 0 biogenic HHAAMO COc1cccc([C@@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c2ccccn2)c1 ZINC000170598106 569242380 /nfs/dbraw/zinc/24/23/80/569242380.db2.gz KGTNEDVNHDVXBP-HOYKHHGWSA-N 1 1 403.482 3.690 50 0 HHAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc5ncsc5c4)cc3s2)CC1 ZINC000007512995 569243808 /nfs/dbraw/zinc/24/38/08/569243808.db2.gz LOCMYFAONQPUJI-UHFFFAOYSA-N 1 1 410.524 3.877 50 0 HHAAMO O=C(C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000089832508 569266736 /nfs/dbraw/zinc/26/67/36/569266736.db2.gz UJYRVWICDPVUSW-OAQYLSRUSA-N 1 1 422.525 3.940 50 0 HHAAMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000089905826 569268352 /nfs/dbraw/zinc/26/83/52/569268352.db2.gz RXXDJDHNPGKHFG-QWRGUYRKSA-N 1 1 413.827 3.551 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4C)CC3)n2)cc1 ZINC000017135846 569275357 /nfs/dbraw/zinc/27/53/57/569275357.db2.gz VUQPVDMGBYOCHT-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@H]3CCCN3C(C)=O)o2)cc1 ZINC000252477545 569288594 /nfs/dbraw/zinc/28/85/94/569288594.db2.gz QLZSJWNOJVEJFI-NHCUHLMSSA-N 1 1 412.534 3.891 50 0 HHAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000195529209 569311993 /nfs/dbraw/zinc/31/19/93/569311993.db2.gz GVFJKWVZCYIVRE-CABCVRRESA-N 1 1 402.564 3.829 50 0 HHAAMO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000253371036 569364755 /nfs/dbraw/zinc/36/47/55/569364755.db2.gz ZUKZVSRIWTYJHA-QZTJIDSGSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000253371036 569364757 /nfs/dbraw/zinc/36/47/57/569364757.db2.gz ZUKZVSRIWTYJHA-QZTJIDSGSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000253371036 569364759 /nfs/dbraw/zinc/36/47/59/569364759.db2.gz ZUKZVSRIWTYJHA-QZTJIDSGSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009585124 569393621 /nfs/dbraw/zinc/39/36/21/569393621.db2.gz LPCAHIIUYWVWTB-QFIPXVFZSA-N 1 1 404.510 3.911 50 0 HHAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009585124 569393622 /nfs/dbraw/zinc/39/36/22/569393622.db2.gz LPCAHIIUYWVWTB-QFIPXVFZSA-N 1 1 404.510 3.911 50 0 HHAAMO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2 ZINC000012660831 569402615 /nfs/dbraw/zinc/40/26/15/569402615.db2.gz BVCMOJHQNDYZII-HZPDHXFCSA-N 1 1 420.303 3.839 50 0 biogenic HHAAMO Cc1csc(=O)n1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078879454 569421485 /nfs/dbraw/zinc/42/14/85/569421485.db2.gz JCJFGRQKMDGAEH-UHFFFAOYSA-N 1 1 413.587 3.656 50 0 HHAAMO CCCOc1ccc2[nH]c(C)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793232 569430118 /nfs/dbraw/zinc/43/01/18/569430118.db2.gz WTWLLGSJJDBDEY-UHFFFAOYSA-N 1 1 405.542 3.943 50 0 HHAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777806 571118166 /nfs/dbraw/zinc/11/81/66/571118166.db2.gz ZKMAAHHVFDJQII-ACJLOTCBSA-N 1 1 418.400 3.689 50 0 HHAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000040067064 571148097 /nfs/dbraw/zinc/14/80/97/571148097.db2.gz GSRHYVKSNFPGBC-FQEVSTJZSA-N 1 1 410.514 3.829 50 0 HHAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000040067064 571148100 /nfs/dbraw/zinc/14/81/00/571148100.db2.gz GSRHYVKSNFPGBC-FQEVSTJZSA-N 1 1 410.514 3.829 50 0 HHAAMO COc1ccc(C[N@@H+](CC(=O)NCC(F)(F)F)[C@@H](C)Cc2cccs2)cc1 ZINC000009863676 571288805 /nfs/dbraw/zinc/28/88/05/571288805.db2.gz WXGZGGKCKUQDHZ-AWEZNQCLSA-N 1 1 400.466 3.868 50 0 HHAAMO CCCCn1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2c1=O ZINC000010278476 571299190 /nfs/dbraw/zinc/29/91/90/571299190.db2.gz IVPFNWYJHHZHDW-FQEVSTJZSA-N 1 1 422.529 3.747 50 0 HHAAMO CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716732 571316403 /nfs/dbraw/zinc/31/64/03/571316403.db2.gz OOEVUBROORSHKM-WOJBJXKFSA-N 1 1 414.521 3.893 50 0 HHAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000011668169 962158379 /nfs/dbraw/zinc/15/83/79/962158379.db2.gz YBUOTDQLQMGJLA-NRFANRHFSA-N 1 1 420.582 3.908 50 0 HHAAMO CCCCc1nc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)c[nH]1 ZINC000011785234 962190501 /nfs/dbraw/zinc/19/05/01/962190501.db2.gz BGYBSVAVBCFXPZ-OAQYLSRUSA-N 1 1 424.589 3.722 50 0 HHAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)[nH]n1 ZINC000011934797 962209521 /nfs/dbraw/zinc/20/95/21/962209521.db2.gz SQQAOBPPPWUNQG-SFHVURJKSA-N 1 1 406.534 3.645 50 0 HHAAMO O=C(NC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1)c1[nH]nc2ccccc21 ZINC000011936223 962209899 /nfs/dbraw/zinc/20/98/99/962209899.db2.gz YHEORAJPLVHXGC-OAHLLOKOSA-N 1 1 409.559 3.540 50 0 HHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)c1[nH]nc2ccccc21 ZINC000011936223 962209919 /nfs/dbraw/zinc/20/99/19/962209919.db2.gz YHEORAJPLVHXGC-OAHLLOKOSA-N 1 1 409.559 3.540 50 0 HHAAMO COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000012198628 962251994 /nfs/dbraw/zinc/25/19/94/962251994.db2.gz CZSQNHYIMKRZQP-LJQANCHMSA-N 1 1 400.494 3.508 50 0 HHAAMO COc1ccc(OC)c(CC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000012198628 962251996 /nfs/dbraw/zinc/25/19/96/962251996.db2.gz CZSQNHYIMKRZQP-LJQANCHMSA-N 1 1 400.494 3.508 50 0 HHAAMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000012571016 962293880 /nfs/dbraw/zinc/29/38/80/962293880.db2.gz KMQIXSGUZLOZHE-SFHVURJKSA-N 1 1 406.505 3.868 50 0 HHAAMO O=C1c2cccc(N3CC[NH+](Cc4ccco4)CC3)c2C(=O)N1Cc1ccccc1F ZINC000015069409 962647871 /nfs/dbraw/zinc/64/78/71/962647871.db2.gz PNXOSOHNYJDVME-UHFFFAOYSA-N 1 1 419.456 3.537 50 0 HHAAMO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC([N@H+]2CCNC(=O)CC2)CC1 ZINC000019143629 963350054 /nfs/dbraw/zinc/35/00/54/963350054.db2.gz RHWWWMSXHHTVFK-UHFFFAOYSA-N 1 1 418.541 3.590 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000019740222 963373826 /nfs/dbraw/zinc/37/38/26/963373826.db2.gz ZDTKZPXDPNNJKK-QFIPXVFZSA-N 1 1 414.594 3.764 50 0 HHAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cc(CC(C)C)[nH]n3)C2)cc1OC ZINC000019740222 963373832 /nfs/dbraw/zinc/37/38/32/963373832.db2.gz ZDTKZPXDPNNJKK-QFIPXVFZSA-N 1 1 414.594 3.764 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3cc(CC(C)C)[nH]n3)C2)cc1OC ZINC000019740222 963373834 /nfs/dbraw/zinc/37/38/34/963373834.db2.gz ZDTKZPXDPNNJKK-QFIPXVFZSA-N 1 1 414.594 3.764 50 0 HHAAMO O=C1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccn1 ZINC000020861621 963398759 /nfs/dbraw/zinc/39/87/59/963398759.db2.gz VZHYXEDVDOJLIF-UHFFFAOYSA-N 1 1 401.510 3.895 50 0 HHAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020920391 963404471 /nfs/dbraw/zinc/40/44/71/963404471.db2.gz ZNLHYYKKIBYAJA-SFHVURJKSA-N 1 1 408.571 4.000 50 0 HHAAMO OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@H+]1CCCc1ccccc1 ZINC000020998362 963410970 /nfs/dbraw/zinc/41/09/70/963410970.db2.gz XPRKJELSUPIVKB-QHCPKHFHSA-N 1 1 407.533 3.875 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C ZINC000023366593 963809015 /nfs/dbraw/zinc/80/90/15/963809015.db2.gz WBKHUELPAQTKBF-NRFANRHFSA-N 1 1 421.511 3.534 50 0 HHAAMO Cc1c(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C ZINC000023366593 963809019 /nfs/dbraw/zinc/80/90/19/963809019.db2.gz WBKHUELPAQTKBF-NRFANRHFSA-N 1 1 421.511 3.534 50 0 HHAAMO CCc1ccc(NC(=O)N2CC[NH+](CCn3c(C(C)C)nc4cccnc43)CC2)cc1 ZINC000033139833 966378745 /nfs/dbraw/zinc/37/87/45/966378745.db2.gz RQQNZBLWFLUVQK-UHFFFAOYSA-N 1 1 420.561 3.967 50 0 HHAAMO Cc1c2cc(C)cc(CNC(=O)C[C@@H]3CN(C)CC[N@H+]3C)c2[nH]c1-c1ccccc1 ZINC000039412891 966492162 /nfs/dbraw/zinc/49/21/62/966492162.db2.gz CBPVSJYQNQCXGJ-OAQYLSRUSA-N 1 1 404.558 3.704 50 0 HHAAMO Cc1c2cc(C)cc(CNC(=O)C[C@@H]3C[N@@H+](C)CCN3C)c2[nH]c1-c1ccccc1 ZINC000039412891 966492168 /nfs/dbraw/zinc/49/21/68/966492168.db2.gz CBPVSJYQNQCXGJ-OAQYLSRUSA-N 1 1 404.558 3.704 50 0 HHAAMO Cc1c2cc(C)cc(CNC(=O)C[C@@H]3C[N@H+](C)CCN3C)c2[nH]c1-c1ccccc1 ZINC000039412891 966492174 /nfs/dbraw/zinc/49/21/74/966492174.db2.gz CBPVSJYQNQCXGJ-OAQYLSRUSA-N 1 1 404.558 3.704 50 0 HHAAMO COc1cc(/C=C\C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc2c1OCCO2 ZINC000096867793 969053817 /nfs/dbraw/zinc/05/38/17/969053817.db2.gz OZOFXRWKKOVQGJ-GIFJBRJJSA-N 1 1 416.905 3.552 50 0 HHAAMO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000244882601 970468824 /nfs/dbraw/zinc/46/88/24/970468824.db2.gz XUVYDNDYBJRWPV-KCZVDYSFSA-N 1 1 404.982 3.952 50 0 HHAAMO O=S(=O)(c1c[nH]cn1)N1CCC([N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000169791401 970483061 /nfs/dbraw/zinc/48/30/61/970483061.db2.gz DTZBZXKXBOWDGR-NRFANRHFSA-N 1 1 414.575 3.570 50 0 HHAAMO O=C(NC[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC12CCOCC2)N1CCCC1 ZINC000257176134 970617011 /nfs/dbraw/zinc/61/70/11/970617011.db2.gz RWRWXZHVDDUFCW-KRWDZBQOSA-N 1 1 409.933 3.513 50 0 HHAAMO CCc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000257190290 970623501 /nfs/dbraw/zinc/62/35/01/970623501.db2.gz MCZAQCSSYKICPW-FQEVSTJZSA-N 1 1 420.525 3.706 50 0 HHAAMO CCc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2C[N@H+]2CCc3ccccc3C2)cc1 ZINC000257190290 970623511 /nfs/dbraw/zinc/62/35/11/970623511.db2.gz MCZAQCSSYKICPW-FQEVSTJZSA-N 1 1 420.525 3.706 50 0 HHAAMO COc1ccccc1CCNc1nc(C[N@@H+]2CCCC[C@H]2CO)nc2ccccc21 ZINC000299757759 970720738 /nfs/dbraw/zinc/72/07/38/970720738.db2.gz MWSANMKQXMOWCM-IBGZPJMESA-N 1 1 406.530 3.640 50 0 HHAAMO COc1ccccc1CCNc1nc(C[N@H+]2CCCC[C@H]2CO)nc2ccccc21 ZINC000299757759 970720742 /nfs/dbraw/zinc/72/07/42/970720742.db2.gz MWSANMKQXMOWCM-IBGZPJMESA-N 1 1 406.530 3.640 50 0 HHAAMO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000299759314 970721199 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Cc1cc(C)n(-c2cccc(CN3CC[N@@H+](CCc4ccccc4)[C@@H](CCO)C3)c2)n1 ZINC000020202480 558346071 /nfs/dbraw/zinc/34/60/71/558346071.db2.gz XYZFJEYWQBSSJM-SANMLTNESA-N 1 1 418.585 3.600 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCN(CCc4ccccc4)[C@@H](CCO)C3)c2)n1 ZINC000020202480 558346072 /nfs/dbraw/zinc/34/60/72/558346072.db2.gz XYZFJEYWQBSSJM-SANMLTNESA-N 1 1 418.585 3.600 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCN(CCc4ccccc4)[C@@H](CCO)C3)c2)n1 ZINC000020202480 558346073 /nfs/dbraw/zinc/34/60/73/558346073.db2.gz XYZFJEYWQBSSJM-SANMLTNESA-N 1 1 418.585 3.600 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000020211469 558347491 /nfs/dbraw/zinc/34/74/91/558347491.db2.gz AOYMBJJKCTVGFX-LJQANCHMSA-N 1 1 404.986 3.777 50 0 HHAAMO CC[C@@H]1C[N@@H+](CCC(=O)N[C@@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012245667 558361409 /nfs/dbraw/zinc/36/14/09/558361409.db2.gz YEXCSVRASVCNKZ-WMLDXEAASA-N 1 1 403.548 3.701 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 ZINC000012298796 558368714 /nfs/dbraw/zinc/36/87/14/558368714.db2.gz SNJWHKLQKOVAAM-SFHVURJKSA-N 1 1 415.534 3.748 50 0 HHAAMO COCCN(Cc1cccc2nonc21)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012299946 558369884 /nfs/dbraw/zinc/36/98/84/558369884.db2.gz SPEGKZXTZGURJW-LJQANCHMSA-N 1 1 420.557 3.551 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)c(OC)c1 ZINC000012302332 558372059 /nfs/dbraw/zinc/37/20/59/558372059.db2.gz MPUQEFAJZPPQHA-HXUWFJFHSA-N 1 1 408.502 3.670 50 0 HHAAMO CCn1ccnc1CN(C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012306028 558375061 /nfs/dbraw/zinc/37/50/61/558375061.db2.gz URQKIXHKDYHYHK-QFIPXVFZSA-N 1 1 414.594 3.539 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)c(OC)c1 ZINC000012307675 558376214 /nfs/dbraw/zinc/37/62/14/558376214.db2.gz SHPMMJCTFKAWSG-SFHVURJKSA-N 1 1 405.498 3.984 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c(OC)c1 ZINC000012307675 558376215 /nfs/dbraw/zinc/37/62/15/558376215.db2.gz SHPMMJCTFKAWSG-SFHVURJKSA-N 1 1 405.498 3.984 50 0 HHAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012316591 558379882 /nfs/dbraw/zinc/37/98/82/558379882.db2.gz UWDFPQHTJBXZME-UHFFFAOYSA-N 1 1 422.533 3.828 50 0 HHAAMO CCCc1nc2oc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCCC2 ZINC000020503742 558381342 /nfs/dbraw/zinc/38/13/42/558381342.db2.gz IKAYPQZUZWPRMY-UHFFFAOYSA-N 1 1 409.534 3.737 50 0 HHAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000012386856 558395591 /nfs/dbraw/zinc/39/55/91/558395591.db2.gz XCJHJXYYRYMSOU-IBGZPJMESA-N 1 1 414.571 3.824 50 0 HHAAMO CCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cc(OC)ccc2F)C3)c1C ZINC000012446573 558414394 /nfs/dbraw/zinc/41/43/94/558414394.db2.gz JSBIGKXKYQFIOR-QHCPKHFHSA-N 1 1 414.525 3.557 50 0 HHAAMO O=C1CC[N@@H+]([C@H]2CCc3ccccc3C2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000012455920 558417101 /nfs/dbraw/zinc/41/71/01/558417101.db2.gz DQLYCLRTDREEFZ-IBGZPJMESA-N 1 1 412.917 3.661 50 0 HHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012475929 558422812 /nfs/dbraw/zinc/42/28/12/558422812.db2.gz XISGKDPRTZVVOW-OAQYLSRUSA-N 1 1 405.926 3.708 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)COC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000021057778 558430579 /nfs/dbraw/zinc/43/05/79/558430579.db2.gz JLZQQGNQDHCNSZ-WOJBJXKFSA-N 1 1 410.558 3.797 50 0 HHAAMO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000012586166 558434101 /nfs/dbraw/zinc/43/41/01/558434101.db2.gz JYPOOHGBVRPMHO-OAQYLSRUSA-N 1 1 410.558 3.659 50 0 HHAAMO COC(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1 ZINC000012587207 558434331 /nfs/dbraw/zinc/43/43/31/558434331.db2.gz KUGXBDSNVSOEHR-FQEVSTJZSA-N 1 1 408.542 3.808 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 ZINC000012594510 558437248 /nfs/dbraw/zinc/43/72/48/558437248.db2.gz YUXXKZDJCVKSPZ-HNNXBMFYSA-N 1 1 418.419 3.884 50 0 HHAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c1OC ZINC000012701730 558448043 /nfs/dbraw/zinc/44/80/43/558448043.db2.gz VUEKUBAVGIHJPC-SFHVURJKSA-N 1 1 419.525 3.894 50 0 HHAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1C ZINC000021795165 558449416 /nfs/dbraw/zinc/44/94/16/558449416.db2.gz DHEFZIAEBVOODF-UHFFFAOYSA-N 1 1 408.550 3.746 50 0 HHAAMO COC(=O)CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012713149 558453714 /nfs/dbraw/zinc/45/37/14/558453714.db2.gz AZVZRLKEIYAMKM-XMMPIXPASA-N 1 1 400.563 3.968 50 0 HHAAMO CN(CCCC1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012748357 558458656 /nfs/dbraw/zinc/45/86/56/558458656.db2.gz AIDCLBUYYQXFAX-NRFANRHFSA-N 1 1 403.611 3.528 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC ZINC000012759125 558460624 /nfs/dbraw/zinc/46/06/24/558460624.db2.gz MCTRUCPRTCZRJA-XMMPIXPASA-N 1 1 409.530 3.536 50 0 HHAAMO Cc1csc(=O)n1CCCC(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000022295071 558477027 /nfs/dbraw/zinc/47/70/27/558477027.db2.gz GMTXABAODBIURD-OKILXGFUSA-N 1 1 408.593 3.572 50 0 HHAAMO Cc1csc(=O)n1CCCC(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000022295071 558477029 /nfs/dbraw/zinc/47/70/29/558477029.db2.gz GMTXABAODBIURD-OKILXGFUSA-N 1 1 408.593 3.572 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)C1 ZINC000022296465 558477102 /nfs/dbraw/zinc/47/71/02/558477102.db2.gz DEZZFAKPNUWMMO-GASCZTMLSA-N 1 1 401.532 3.921 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)C1 ZINC000022296465 558477104 /nfs/dbraw/zinc/47/71/04/558477104.db2.gz DEZZFAKPNUWMMO-GASCZTMLSA-N 1 1 401.532 3.921 50 0 HHAAMO Cc1cc(C)n(-c2ccc(C[NH+]3CCN(CC(=O)Nc4ccc(C)cc4)CC3)cc2)n1 ZINC000022914157 558520839 /nfs/dbraw/zinc/52/08/39/558520839.db2.gz HFQAWKSYJFFCBR-UHFFFAOYSA-N 1 1 417.557 3.554 50 0 HHAAMO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1Cc1ccsc1 ZINC000022919382 558522289 /nfs/dbraw/zinc/52/22/89/558522289.db2.gz QCDPANCERHKOSZ-HXUWFJFHSA-N 1 1 404.963 3.746 50 0 HHAAMO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1Cc1ccsc1 ZINC000022919382 558522291 /nfs/dbraw/zinc/52/22/91/558522291.db2.gz QCDPANCERHKOSZ-HXUWFJFHSA-N 1 1 404.963 3.746 50 0 HHAAMO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000022933018 558525250 /nfs/dbraw/zinc/52/52/50/558525250.db2.gz KFVZOGJGTYORES-UHFFFAOYSA-N 1 1 416.550 3.969 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2nc3ccccc3n2C)C1 ZINC000023340371 558550563 /nfs/dbraw/zinc/55/05/63/558550563.db2.gz GTJYSNXNGBMYCU-HXUWFJFHSA-N 1 1 406.574 3.968 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000023366645 558552978 /nfs/dbraw/zinc/55/29/78/558552978.db2.gz ZHYYLGPZVGUWDR-NRFANRHFSA-N 1 1 419.573 3.662 50 0 HHAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cccs1)C2 ZINC000014751274 558670845 /nfs/dbraw/zinc/67/08/45/558670845.db2.gz ACUFXTKWODORDE-QGZVFWFLSA-N 1 1 400.592 3.970 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCC1(c2ccccc2)CCC1 ZINC000027951629 558685236 /nfs/dbraw/zinc/68/52/36/558685236.db2.gz WCMAGOZZNWCWCO-HXUWFJFHSA-N 1 1 405.542 3.575 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1OC ZINC000014988510 558693591 /nfs/dbraw/zinc/69/35/91/558693591.db2.gz WAMMFDZHYNKXNX-YADHBBJMSA-N 1 1 408.542 3.759 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCC2)cc1 ZINC000028288469 558695302 /nfs/dbraw/zinc/69/53/02/558695302.db2.gz BMGFYYMCPXONHI-OAQYLSRUSA-N 1 1 420.509 3.985 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403195 558699979 /nfs/dbraw/zinc/69/99/79/558699979.db2.gz HYAFUYXIQGJLEC-OAQYLSRUSA-N 1 1 401.595 3.527 50 0 HHAAMO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000015065854 558708584 /nfs/dbraw/zinc/70/85/84/558708584.db2.gz XLLBKSDTHAAJPN-JOCHJYFZSA-N 1 1 408.542 3.872 50 0 HHAAMO Cc1cccn2c(C[N@@H+](C)C3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015067357 558710183 /nfs/dbraw/zinc/71/01/83/558710183.db2.gz XNFDVHOLOLMVHF-UHFFFAOYSA-N 1 1 420.557 3.568 50 0 HHAAMO Fc1ccccc1-c1ccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)s1 ZINC000029527657 558716503 /nfs/dbraw/zinc/71/65/03/558716503.db2.gz FBDWFSQYVWFEFG-UHFFFAOYSA-N 1 1 420.517 3.852 50 0 HHAAMO C[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879854 558723081 /nfs/dbraw/zinc/72/30/81/558723081.db2.gz KQECKMXLGVCAMF-KURKYZTESA-N 1 1 404.514 3.524 50 0 HHAAMO C[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879854 558723084 /nfs/dbraw/zinc/72/30/84/558723084.db2.gz KQECKMXLGVCAMF-KURKYZTESA-N 1 1 404.514 3.524 50 0 HHAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000033318541 558766380 /nfs/dbraw/zinc/76/63/80/558766380.db2.gz KIBVWNUSDLAPNL-UHFFFAOYSA-N 1 1 408.550 3.746 50 0 HHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072308340 558770121 /nfs/dbraw/zinc/77/01/21/558770121.db2.gz OXMJVAXFVCTJCV-JCMPLMDJSA-N 1 1 409.618 3.914 50 0 HHAAMO O=C(Cn1ncc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000039359838 558820485 /nfs/dbraw/zinc/82/04/85/558820485.db2.gz HAZPLLJGAVBQNW-RUZDIDTESA-N 1 1 402.542 3.594 50 0 HHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000019222358 558852202 /nfs/dbraw/zinc/85/22/02/558852202.db2.gz MYTKPIAPOTZWIR-JOCHJYFZSA-N 1 1 410.949 3.799 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019228975 558853217 /nfs/dbraw/zinc/85/32/17/558853217.db2.gz HPCGLZDVDKIVEF-OAQYLSRUSA-N 1 1 403.530 3.798 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1 ZINC000055211116 558875986 /nfs/dbraw/zinc/87/59/86/558875986.db2.gz JGGJMODYEXYZLH-UEBMVEOSSA-N 1 1 423.532 3.819 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000055211662 558876190 /nfs/dbraw/zinc/87/61/90/558876190.db2.gz NVXULIZAJNTYBL-HXUWFJFHSA-N 1 1 413.949 3.775 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055569004 558882844 /nfs/dbraw/zinc/88/28/44/558882844.db2.gz QHNLWPDXPLZHIK-NRFANRHFSA-N 1 1 403.523 3.726 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055569004 558882847 /nfs/dbraw/zinc/88/28/47/558882847.db2.gz QHNLWPDXPLZHIK-NRFANRHFSA-N 1 1 403.523 3.726 50 0 HHAAMO CCOc1ccc2nc(N3CCC[N@@H+](Cc4c(C)nn(CC)c4C)CC3)nc(C)c2c1 ZINC000055575371 558882860 /nfs/dbraw/zinc/88/28/60/558882860.db2.gz UNHULIQHZZDHLX-UHFFFAOYSA-N 1 1 422.577 3.882 50 0 HHAAMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000058264979 558915557 /nfs/dbraw/zinc/91/55/57/558915557.db2.gz QJBLSCLINGUYJO-RBUKOAKNSA-N 1 1 403.567 3.739 50 0 HHAAMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000058264979 558915560 /nfs/dbraw/zinc/91/55/60/558915560.db2.gz QJBLSCLINGUYJO-RBUKOAKNSA-N 1 1 403.567 3.739 50 0 HHAAMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058306341 558918262 /nfs/dbraw/zinc/91/82/62/558918262.db2.gz ZNADWKNSJOLCCW-JOCHJYFZSA-N 1 1 405.546 3.685 50 0 HHAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000059922948 558939927 /nfs/dbraw/zinc/93/99/27/558939927.db2.gz RWRJJAWNYXBUIF-AWEZNQCLSA-N 1 1 404.407 3.618 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000019606732 558946652 /nfs/dbraw/zinc/94/66/52/558946652.db2.gz JTUAGOCWIOINHR-OAQYLSRUSA-N 1 1 405.539 3.736 50 0 HHAAMO COc1ccccc1C[N@H+](Cc1cn(CC(N)=O)c2ccccc12)Cc1cccnc1 ZINC000063856090 558959551 /nfs/dbraw/zinc/95/95/51/558959551.db2.gz YQCQGSCRDKAIAE-UHFFFAOYSA-N 1 1 414.509 3.733 50 0 HHAAMO COc1ccccc1C[N@@H+](Cc1cn(CC(N)=O)c2ccccc12)Cc1cccnc1 ZINC000063856090 558959553 /nfs/dbraw/zinc/95/95/53/558959553.db2.gz YQCQGSCRDKAIAE-UHFFFAOYSA-N 1 1 414.509 3.733 50 0 HHAAMO CCNc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH+]c(C)n1 ZINC000065363255 558974187 /nfs/dbraw/zinc/97/41/87/558974187.db2.gz XTVUEPWFSWVCMT-UHFFFAOYSA-N 1 1 408.428 3.590 50 0 HHAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2C[C@H](O)[C@@H](N(C)C)C2)CCC4)c1 ZINC000072425748 558978953 /nfs/dbraw/zinc/97/89/53/558978953.db2.gz KUHUXJJIBUIDIG-DQEYMECFSA-N 1 1 401.554 3.806 50 0 HHAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2C[C@H](O)[C@@H](N(C)C)C2)CCC4)c1 ZINC000072425748 558978955 /nfs/dbraw/zinc/97/89/55/558978955.db2.gz KUHUXJJIBUIDIG-DQEYMECFSA-N 1 1 401.554 3.806 50 0 HHAAMO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022024946 558985008 /nfs/dbraw/zinc/98/50/08/558985008.db2.gz WLZGZOCGRQKJHU-GOSISDBHSA-N 1 1 415.965 3.926 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3nc4ccccc4n3C)C2)cc1 ZINC000076949818 558998792 /nfs/dbraw/zinc/99/87/92/558998792.db2.gz HOPHBPNWKOZLAZ-NRFANRHFSA-N 1 1 406.574 3.968 50 0 HHAAMO CC(C)Oc1cccc2c1c(NC(=O)N1CC[NH+](C)CC1)nn2-c1ccc(F)cc1 ZINC000077337876 559001678 /nfs/dbraw/zinc/00/16/78/559001678.db2.gz ZCFSKKWNQWABAS-UHFFFAOYSA-N 1 1 411.481 3.731 50 0 HHAAMO Cc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082086569 559036785 /nfs/dbraw/zinc/03/67/85/559036785.db2.gz BSHDCGMGLPAUMN-JOCHJYFZSA-N 1 1 409.574 3.623 50 0 HHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082096862 559037522 /nfs/dbraw/zinc/03/75/22/559037522.db2.gz WUVAGZCQZBCYTP-JOCHJYFZSA-N 1 1 410.606 3.551 50 0 HHAAMO CCC1(C)CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082114505 559038981 /nfs/dbraw/zinc/03/89/81/559038981.db2.gz YEPRBWNDKMSVIO-JOCHJYFZSA-N 1 1 412.622 3.797 50 0 HHAAMO O=C1C[N@@H+](CCCO)[C@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1 ZINC000091434659 559071517 /nfs/dbraw/zinc/07/15/17/559071517.db2.gz CBDRZMMFTLAHSM-HSZRJFAPSA-N 1 1 400.522 3.996 50 0 HHAAMO O=C1C[N@H+](CCCO)[C@H](Cc2ccccc2)CN1c1ccccc1-c1ccccc1 ZINC000091434659 559071519 /nfs/dbraw/zinc/07/15/19/559071519.db2.gz CBDRZMMFTLAHSM-HSZRJFAPSA-N 1 1 400.522 3.996 50 0 HHAAMO Cc1cc(Cl)c(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000016247566 559076247 /nfs/dbraw/zinc/07/62/47/559076247.db2.gz QJTBMVAPMZROQY-OKILXGFUSA-N 1 1 406.748 3.916 50 0 HHAAMO Cc1cc(Cl)c(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000016247566 559076249 /nfs/dbraw/zinc/07/62/49/559076249.db2.gz QJTBMVAPMZROQY-OKILXGFUSA-N 1 1 406.748 3.916 50 0 HHAAMO Cn1cnc2cc(C(=O)N3CCC4(CC3)C[C@@H](c3ccccc3)C[N@@H+](C)C4)ccc21 ZINC000096142148 559095570 /nfs/dbraw/zinc/09/55/70/559095570.db2.gz AGNAMSJDBMRRCI-OAQYLSRUSA-N 1 1 402.542 3.915 50 0 HHAAMO Cn1cnc2cc(C(=O)N3CCC4(CC3)C[C@H](c3ccccc3)C[N@@H+](C)C4)ccc21 ZINC000096142147 559095593 /nfs/dbraw/zinc/09/55/93/559095593.db2.gz AGNAMSJDBMRRCI-NRFANRHFSA-N 1 1 402.542 3.915 50 0 HHAAMO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000096150294 559098764 /nfs/dbraw/zinc/09/87/64/559098764.db2.gz LNLFKWSSJHANBT-UHFFFAOYSA-N 1 1 402.905 3.715 50 0 HHAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000014184890 559155121 /nfs/dbraw/zinc/15/51/21/559155121.db2.gz JQGUKSXXILITPF-SFHVURJKSA-N 1 1 409.530 3.561 50 0 HHAAMO O=C1C[N@H+](CCc2ccccc2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000014541962 559167834 /nfs/dbraw/zinc/16/78/34/559167834.db2.gz XEOTXAIJHORAJF-VWLOTQADSA-N 1 1 415.537 3.554 50 0 HHAAMO O=C1C[N@@H+](CCc2ccccc2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000014541962 559167836 /nfs/dbraw/zinc/16/78/36/559167836.db2.gz XEOTXAIJHORAJF-VWLOTQADSA-N 1 1 415.537 3.554 50 0 HHAAMO CCOC(=O)CCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)CC(C)C ZINC000005095567 559245102 /nfs/dbraw/zinc/24/51/02/559245102.db2.gz NKXVHSCBZRAWKS-NRFANRHFSA-N 1 1 410.555 3.701 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCC2)cc1 ZINC000017911698 560730485 /nfs/dbraw/zinc/73/04/85/560730485.db2.gz YFBYYZCQAQKVRP-HXUWFJFHSA-N 1 1 406.482 3.677 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000101490601 560795949 /nfs/dbraw/zinc/79/59/49/560795949.db2.gz CIUAZHNDAIVYBK-KXBFYZLASA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000101490601 560795951 /nfs/dbraw/zinc/79/59/51/560795951.db2.gz CIUAZHNDAIVYBK-KXBFYZLASA-N 1 1 421.522 3.816 50 0 HHAAMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000108976975 568420574 /nfs/dbraw/zinc/42/05/74/568420574.db2.gz ANQGDDDVWITBLK-KXBFYZLASA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000108976975 568420575 /nfs/dbraw/zinc/42/05/75/568420575.db2.gz ANQGDDDVWITBLK-KXBFYZLASA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000048237366 568433099 /nfs/dbraw/zinc/43/30/99/568433099.db2.gz DILAHKWSJKHIAP-LSDHHAIUSA-N 1 1 415.347 3.984 50 0 HHAAMO CC(=O)NCc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000048310300 568436666 /nfs/dbraw/zinc/43/66/66/568436666.db2.gz XUJKECBZUNJWGL-KDURUIRLSA-N 1 1 407.558 3.731 50 0 HHAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1)[nH]c2=O ZINC000049609496 568452553 /nfs/dbraw/zinc/45/25/53/568452553.db2.gz FAMXGCIMIVVPLV-NSHDSACASA-N 1 1 405.376 3.579 50 0 HHAAMO C[NH+](C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccc(N)cc3)cc21 ZINC000000754972 568471967 /nfs/dbraw/zinc/47/19/67/568471967.db2.gz VZZJGQNADKTCBR-UHFFFAOYSA-N 1 1 414.509 3.846 50 0 HHAAMO Cc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000024976747 568517291 /nfs/dbraw/zinc/51/72/91/568517291.db2.gz JRTWIDNELFANMB-UHFFFAOYSA-N 1 1 422.298 3.796 50 0 HHAAMO Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000024976747 568517294 /nfs/dbraw/zinc/51/72/94/568517294.db2.gz JRTWIDNELFANMB-UHFFFAOYSA-N 1 1 422.298 3.796 50 0 HHAAMO CN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000020107918 568588425 /nfs/dbraw/zinc/58/84/25/568588425.db2.gz BRJCPTAOQMNXGR-UHFFFAOYSA-N 1 1 406.983 3.770 50 0 HHAAMO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000094992625 568593340 /nfs/dbraw/zinc/59/33/40/568593340.db2.gz FPRNTZHJODXXBL-NRFANRHFSA-N 1 1 409.530 3.597 50 0 HHAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000095347402 568599927 /nfs/dbraw/zinc/59/99/27/568599927.db2.gz KDESPEBKAMSWJR-DEOSSOPVSA-N 1 1 421.566 3.898 50 0 HHAAMO CN1CC[NH+](C2(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)CCCC2)CC1 ZINC000095405483 568605956 /nfs/dbraw/zinc/60/59/56/568605956.db2.gz BBLKBGOHDRAHHT-UHFFFAOYSA-N 1 1 411.521 3.794 50 0 HHAAMO CC(C)(COc1ncccc1Br)[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000095456050 568617399 /nfs/dbraw/zinc/61/73/99/568617399.db2.gz LGBMJPHHQWGXDG-UHFFFAOYSA-N 1 1 409.309 3.903 50 0 HHAAMO C[C@@H]1CCCCN1c1cc(C(=O)Nc2cccc(CC[NH+]3CCN(C)CC3)c2)ccn1 ZINC000095457795 568618700 /nfs/dbraw/zinc/61/87/00/568618700.db2.gz YYJMSBNUBYZPMA-HXUWFJFHSA-N 1 1 421.589 3.503 50 0 HHAAMO CC(C)Sc1ccc(C(=O)N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000095459651 568619814 /nfs/dbraw/zinc/61/98/14/568619814.db2.gz NHSZAKJTHKBJPY-OALUTQOASA-N 1 1 420.619 3.918 50 0 HHAAMO O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000020925799 568651325 /nfs/dbraw/zinc/65/13/25/568651325.db2.gz YKCLXVPKBGTPOJ-UHFFFAOYSA-N 1 1 423.488 3.562 50 0 HHAAMO Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c(C)c1 ZINC000021172393 568676704 /nfs/dbraw/zinc/67/67/04/568676704.db2.gz OKVGQXHCPSFWTA-HXUWFJFHSA-N 1 1 418.541 3.506 50 0 HHAAMO COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000096000168 568680925 /nfs/dbraw/zinc/68/09/25/568680925.db2.gz FTEHQLKEKHIPFR-KRWDZBQOSA-N 1 1 409.490 3.655 50 0 HHAAMO COc1ccc(C(=O)Nc2c[nH]nc2[C@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000096000168 568680926 /nfs/dbraw/zinc/68/09/26/568680926.db2.gz FTEHQLKEKHIPFR-KRWDZBQOSA-N 1 1 409.490 3.655 50 0 HHAAMO COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCC[N@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000096000169 568680931 /nfs/dbraw/zinc/68/09/31/568680931.db2.gz FTEHQLKEKHIPFR-QGZVFWFLSA-N 1 1 409.490 3.655 50 0 HHAAMO COc1ccc(C(=O)Nc2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3nc(C)c(C)o3)C2)cc1 ZINC000096000169 568680932 /nfs/dbraw/zinc/68/09/32/568680932.db2.gz FTEHQLKEKHIPFR-QGZVFWFLSA-N 1 1 409.490 3.655 50 0 HHAAMO COc1ccc(CNC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000229428269 568713883 /nfs/dbraw/zinc/71/38/83/568713883.db2.gz JJYFSVXSZXCTHI-AZUAARDMSA-N 1 1 402.560 3.741 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Cl ZINC000021556841 568713947 /nfs/dbraw/zinc/71/39/47/568713947.db2.gz YWRZOXDUOWTYFP-SFHVURJKSA-N 1 1 409.958 3.706 50 0 HHAAMO Cc1cccc(C[N@@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)c1 ZINC000021640384 568727609 /nfs/dbraw/zinc/72/76/09/568727609.db2.gz AOLRKKNLXGJZHM-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO Cc1cccc(C[N@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)c1 ZINC000021640384 568727612 /nfs/dbraw/zinc/72/76/12/568727612.db2.gz AOLRKKNLXGJZHM-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021793937 568753224 /nfs/dbraw/zinc/75/32/24/568753224.db2.gz SNISTDHNDQQTJE-UHFFFAOYSA-N 1 1 405.477 3.939 50 0 HHAAMO CC(C)c1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000025407697 568768600 /nfs/dbraw/zinc/76/86/00/568768600.db2.gz FKYZFXQXVQLZKV-IRXDYDNUSA-N 1 1 415.582 3.753 50 0 HHAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000056997099 568822426 /nfs/dbraw/zinc/82/24/26/568822426.db2.gz GRFDDUOBNDGLEM-UHFFFAOYSA-N 1 1 424.932 3.855 50 0 HHAAMO C[N@@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000057442490 568837065 /nfs/dbraw/zinc/83/70/65/568837065.db2.gz GLFPZOLWMFDXMR-UHFFFAOYSA-N 1 1 404.260 3.772 50 0 HHAAMO Cc1nc2c(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cnn2c(C)c1Cc1ccccc1 ZINC000003041059 568847880 /nfs/dbraw/zinc/84/78/80/568847880.db2.gz CHWUHUJTMCYAIB-SFHVURJKSA-N 1 1 419.573 3.931 50 0 HHAAMO O=C(CSc1nc2ccccc2n1C(F)F)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012544432 568849640 /nfs/dbraw/zinc/84/96/40/568849640.db2.gz KXQNVGIODCSAQP-MRXNPFEDSA-N 1 1 416.497 3.914 50 0 HHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000003351064 568856700 /nfs/dbraw/zinc/85/67/00/568856700.db2.gz HCEFMAPEDPHCHW-MRXNPFEDSA-N 1 1 406.857 3.940 50 0 HHAAMO CCOc1ccc(NC(=O)NCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000058021426 568877904 /nfs/dbraw/zinc/87/79/04/568877904.db2.gz ZBRLZQSGFLXOHV-UHFFFAOYSA-N 1 1 416.953 3.991 50 0 HHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000003349192 568885095 /nfs/dbraw/zinc/88/50/95/568885095.db2.gz QALJQOJLSJSRKS-OAHLLOKOSA-N 1 1 417.756 3.684 50 0 HHAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000058156778 568893394 /nfs/dbraw/zinc/89/33/94/568893394.db2.gz XUQSWQWGKBPUEY-SFHVURJKSA-N 1 1 411.571 3.967 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000012757967 568943255 /nfs/dbraw/zinc/94/32/55/568943255.db2.gz PYIHDKLDTGRQJM-UHFFFAOYSA-N 1 1 422.298 3.796 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000012757967 568943258 /nfs/dbraw/zinc/94/32/58/568943258.db2.gz PYIHDKLDTGRQJM-UHFFFAOYSA-N 1 1 422.298 3.796 50 0 HHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)cc1F ZINC000084291040 568945615 /nfs/dbraw/zinc/94/56/15/568945615.db2.gz AMTAVVVTEBNHRQ-UHFFFAOYSA-N 1 1 406.461 3.767 50 0 HHAAMO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1)Oc1ccccc1 ZINC000084556897 568950953 /nfs/dbraw/zinc/95/09/53/568950953.db2.gz SMONARLIVHPPMK-GOSISDBHSA-N 1 1 410.333 3.995 50 0 HHAAMO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1)Oc1ccccc1 ZINC000084556897 568950955 /nfs/dbraw/zinc/95/09/55/568950955.db2.gz SMONARLIVHPPMK-GOSISDBHSA-N 1 1 410.333 3.995 50 0 HHAAMO CCN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC000084779638 568959229 /nfs/dbraw/zinc/95/92/29/568959229.db2.gz HOKJXTJONGYPHC-YOFSQIOKSA-N 1 1 401.551 3.902 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000004302323 568960145 /nfs/dbraw/zinc/96/01/45/568960145.db2.gz SQPGLXNRQXOGLG-HSZRJFAPSA-N 1 1 407.514 3.867 50 0 HHAAMO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2-n2cccc2)cc1 ZINC000015681273 568967967 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3.627 50 0 HHAAMO CC(C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310428 569131664 /nfs/dbraw/zinc/13/16/64/569131664.db2.gz FSSCSSLZOJHLNH-IBGZPJMESA-N 1 1 406.958 3.573 50 0 HHAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343820 569142328 /nfs/dbraw/zinc/14/23/28/569142328.db2.gz YCOSLSRXHDAMPH-QFIPXVFZSA-N 1 1 410.949 3.574 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036343774 569142365 /nfs/dbraw/zinc/14/23/65/569142365.db2.gz BDVYQMQMVPHULW-QFIPXVFZSA-N 1 1 410.949 3.574 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344437 569142703 /nfs/dbraw/zinc/14/27/03/569142703.db2.gz RUZBFLPRLXXVDB-OAQYLSRUSA-N 1 1 405.498 3.887 50 0 HHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](C)O ZINC000036346000 569143643 /nfs/dbraw/zinc/14/36/43/569143643.db2.gz BUPLRABWPCNHJM-KRWDZBQOSA-N 1 1 413.493 3.941 50 0 HHAAMO 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HHAAMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000238899697 569227623 /nfs/dbraw/zinc/22/76/23/569227623.db2.gz HBIHILGQENLYSC-MUGJNUQGSA-N 1 1 407.599 3.698 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065503643 569232960 /nfs/dbraw/zinc/23/29/60/569232960.db2.gz FJNSNQCJKHTLOS-GOTSBHOMSA-N 1 1 406.574 3.724 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2)cc1 ZINC000007360333 569235013 /nfs/dbraw/zinc/23/50/13/569235013.db2.gz PHKWDZGDTORFNI-OAQYLSRUSA-N 1 1 407.514 3.834 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2)cc1 ZINC000007360333 569235015 /nfs/dbraw/zinc/23/50/15/569235015.db2.gz PHKWDZGDTORFNI-OAQYLSRUSA-N 1 1 407.514 3.834 50 0 HHAAMO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(OC)c1OC ZINC000170597913 569242237 /nfs/dbraw/zinc/24/22/37/569242237.db2.gz TZQXUZABIFTFHD-OAHLLOKOSA-N 1 1 424.419 3.626 50 0 HHAAMO COc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 ZINC000170614517 569247153 /nfs/dbraw/zinc/24/71/53/569247153.db2.gz NYQFFWVOAXLMOK-MOPGFXCFSA-N 1 1 408.420 3.953 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(F)c4)CC3)n2)cc1 ZINC000017012482 569271593 /nfs/dbraw/zinc/27/15/93/569271593.db2.gz JNVSARLVSCNTPE-UHFFFAOYSA-N 1 1 421.476 3.639 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(C)c4)CC3)n2)cc1 ZINC000017122582 569275136 /nfs/dbraw/zinc/27/51/36/569275136.db2.gz RVISKNTXGHTCMR-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO Cc1cc(C[N@H+](C)Cc2cc(=O)n3ccccc3n2)cc(C)c1OCC(F)(F)F ZINC000054396004 569277648 /nfs/dbraw/zinc/27/76/48/569277648.db2.gz SGOABTRKPICZLU-UHFFFAOYSA-N 1 1 405.420 3.884 50 0 HHAAMO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000252474622 569288043 /nfs/dbraw/zinc/28/80/43/569288043.db2.gz IJVQQXZDUWCJLA-XZOQPEGZSA-N 1 1 416.512 3.602 50 0 HHAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c1 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50 0 HHAAMO O=C([C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541706 526537134 /nfs/dbraw/zinc/53/71/34/526537134.db2.gz IOCXSNIZVMPXIC-QHCPKHFHSA-N 1 1 409.618 3.733 50 0 HHAAMO O=C([C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1 ZINC000020541706 526537142 /nfs/dbraw/zinc/53/71/42/526537142.db2.gz IOCXSNIZVMPXIC-QHCPKHFHSA-N 1 1 409.618 3.733 50 0 HHAAMO O=C(N[C@@H]1CCc2ccccc21)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930142 526956720 /nfs/dbraw/zinc/95/67/20/526956720.db2.gz SGGCOOFPNRHGGP-OAQYLSRUSA-N 1 1 402.498 3.752 50 0 HHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000044921264 527002301 /nfs/dbraw/zinc/00/23/01/527002301.db2.gz DVOIVMAQVLKXJD-UHFFFAOYSA-N 1 1 410.392 3.662 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032762566 527538335 /nfs/dbraw/zinc/53/83/35/527538335.db2.gz HAQCHVJZSAPERQ-LJQANCHMSA-N 1 1 422.554 3.687 50 0 HHAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c1 ZINC000034684814 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ZINC000011873868 558291534 /nfs/dbraw/zinc/29/15/34/558291534.db2.gz CCKZMARVMQPKHF-JOCHJYFZSA-N 1 1 424.593 3.527 50 0 HHAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCCCn1cccn1 ZINC000019850654 558295368 /nfs/dbraw/zinc/29/53/68/558295368.db2.gz HBUSOKPCXOUCMY-HSZRJFAPSA-N 1 1 422.504 3.555 50 0 HHAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)CCC1CCOCC1 ZINC000011935493 558299427 /nfs/dbraw/zinc/29/94/27/558299427.db2.gz UCBACVRKBRFSDX-UHFFFAOYSA-N 1 1 412.578 3.907 50 0 HHAAMO O=C(c1n[nH]c2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011935483 558299527 /nfs/dbraw/zinc/29/95/27/558299527.db2.gz IUXJRQBVXSUARW-HSZRJFAPSA-N 1 1 410.468 3.969 50 0 HHAAMO O=C(c1n[nH]c2ccccc21)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011935483 558299529 /nfs/dbraw/zinc/29/95/29/558299529.db2.gz IUXJRQBVXSUARW-HSZRJFAPSA-N 1 1 410.468 3.969 50 0 HHAAMO O=C1CC[N@H+](Cc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1C(F)(F)F ZINC000011966498 558304278 /nfs/dbraw/zinc/30/42/78/558304278.db2.gz XUUSLUJEJVAFQF-UHFFFAOYSA-N 1 1 420.431 3.711 50 0 HHAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000011980672 558306186 /nfs/dbraw/zinc/30/61/86/558306186.db2.gz JUTGIKDGHRYUHP-HXUWFJFHSA-N 1 1 417.557 3.753 50 0 HHAAMO CCCn1ncc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@@H+]24)c1C ZINC000012072420 558317770 /nfs/dbraw/zinc/31/77/70/558317770.db2.gz XWZXRTMZEXXLRK-APTRMMRNSA-N 1 1 408.546 3.548 50 0 HHAAMO C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CCOc1ccccc1)C1CCCCC1 ZINC000012074737 558319163 /nfs/dbraw/zinc/31/91/63/558319163.db2.gz QIIBTCDXMXLILI-QHCPKHFHSA-N 1 1 412.574 3.859 50 0 HHAAMO CCCCOc1ccc(Cc2c(O)nc(NCCC[NH+]3CCCCC3)[nH]c2=O)cc1 ZINC000020029300 558323604 /nfs/dbraw/zinc/32/36/04/558323604.db2.gz DNFSYNRPMFQVNP-UHFFFAOYSA-N 1 1 414.550 3.533 50 0 HHAAMO O=c1c(C[N@@H+]2CCC[C@H]2CO)cc2ccc(F)cc2n1CCSc1ccccc1 ZINC000012125502 558331372 /nfs/dbraw/zinc/33/13/72/558331372.db2.gz BMNPTUQROQOBNP-FQEVSTJZSA-N 1 1 412.530 3.890 50 0 HHAAMO COc1ccc(-c2n[nH]cc2CN2CCC[N@@H+](Cc3cccs3)CC2)c(F)c1 ZINC000020149178 558340121 /nfs/dbraw/zinc/34/01/21/558340121.db2.gz YPJAFMPBLWYVQB-UHFFFAOYSA-N 1 1 400.523 3.994 50 0 HHAAMO O=C1CC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccccc1F ZINC000012218372 558354561 /nfs/dbraw/zinc/35/45/61/558354561.db2.gz LQUDLSOLEJRTLW-UHFFFAOYSA-N 1 1 412.896 3.899 50 0 HHAAMO CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020455792 558369517 /nfs/dbraw/zinc/36/95/17/558369517.db2.gz QNDHJIOGOFHUCT-HSZRJFAPSA-N 1 1 420.601 3.985 50 0 HHAAMO Cn1c(SC[C@H]2CCCO2)nnc1C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000012330918 558385485 /nfs/dbraw/zinc/38/54/85/558385485.db2.gz SATQOWAKIJWUKM-QGZVFWFLSA-N 1 1 408.518 3.744 50 0 HHAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012429892 558404759 /nfs/dbraw/zinc/40/47/59/558404759.db2.gz RIYDVGMUGZCAFR-FQEVSTJZSA-N 1 1 409.555 3.566 50 0 HHAAMO CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012431990 558406409 /nfs/dbraw/zinc/40/64/09/558406409.db2.gz AQTPMDKUARGKSZ-VWLOTQADSA-N 1 1 405.542 3.816 50 0 HHAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)c1 ZINC000012439064 558410514 /nfs/dbraw/zinc/41/05/14/558410514.db2.gz LUABUYQQMQJSSN-MEDHRJKHSA-N 1 1 412.505 3.998 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012458069 558417996 /nfs/dbraw/zinc/41/79/96/558417996.db2.gz AXYPDWMLKORYNS-KRWDZBQOSA-N 1 1 403.906 3.815 50 0 HHAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000012463866 558419989 /nfs/dbraw/zinc/41/99/89/558419989.db2.gz OOKIZARCQIWRJY-SFHVURJKSA-N 1 1 412.530 3.718 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906228 558420929 /nfs/dbraw/zinc/42/09/29/558420929.db2.gz XOBPOBDLJMITKE-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906228 558420933 /nfs/dbraw/zinc/42/09/33/558420933.db2.gz XOBPOBDLJMITKE-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012478014 558423240 /nfs/dbraw/zinc/42/32/40/558423240.db2.gz OHCIHOOLJBDJLM-INIZCTEOSA-N 1 1 424.467 3.760 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012478014 558423242 /nfs/dbraw/zinc/42/32/42/558423242.db2.gz OHCIHOOLJBDJLM-INIZCTEOSA-N 1 1 424.467 3.760 50 0 HHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 ZINC000012594516 558437188 /nfs/dbraw/zinc/43/71/88/558437188.db2.gz YUXXKZDJCVKSPZ-OAHLLOKOSA-N 1 1 418.419 3.884 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012718894 558456232 /nfs/dbraw/zinc/45/62/32/558456232.db2.gz NLJPQFIPVGDPOA-QGZVFWFLSA-N 1 1 414.527 3.632 50 0 HHAAMO O=C(CSc1ccc(F)c(Cl)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022886362 558518612 /nfs/dbraw/zinc/51/86/12/558518612.db2.gz FISDPUZLSLMUTM-UHFFFAOYSA-N 1 1 400.947 3.723 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(C/C=C/c3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000022913448 558520627 /nfs/dbraw/zinc/52/06/27/558520627.db2.gz MBXADFLSFSJJOZ-OIUIXCLQSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccc(CN2CC[N@H+](C/C=C/c3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000022913448 558520631 /nfs/dbraw/zinc/52/06/31/558520631.db2.gz MBXADFLSFSJJOZ-OIUIXCLQSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](C/C=C/c3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000022913448 558520633 /nfs/dbraw/zinc/52/06/33/558520633.db2.gz MBXADFLSFSJJOZ-OIUIXCLQSA-N 1 1 410.558 3.676 50 0 HHAAMO Cc1csc2nc(CN3CC[NH+]([C@H](C)c4ccccc4Cl)CC3)cc(=O)n12 ZINC000022935225 558526471 /nfs/dbraw/zinc/52/64/71/558526471.db2.gz UNOSABXZYXMEOY-OAHLLOKOSA-N 1 1 402.951 3.597 50 0 HHAAMO CN1CC[NH+](CC[C@@H]2CCCCN2C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022935459 558526501 /nfs/dbraw/zinc/52/65/01/558526501.db2.gz ZXLZRVCDAJTTRE-SFHVURJKSA-N 1 1 414.541 3.894 50 0 HHAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938419 558527488 /nfs/dbraw/zinc/52/74/88/558527488.db2.gz RSMWBEFKQGBHGY-IBGZPJMESA-N 1 1 409.530 3.978 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000013595467 558546819 /nfs/dbraw/zinc/54/68/19/558546819.db2.gz GWXQBVBGOBNEOW-IBGZPJMESA-N 1 1 402.535 3.989 50 0 HHAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccccc3C(F)(F)F)C[C@@H]2CCO)c1 ZINC000023358574 558551422 /nfs/dbraw/zinc/55/14/22/558551422.db2.gz ULUVJZNPTKQODW-IBGZPJMESA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3C(F)(F)F)C[C@@H]2CCO)c1 ZINC000023358574 558551425 /nfs/dbraw/zinc/55/14/25/558551425.db2.gz ULUVJZNPTKQODW-IBGZPJMESA-N 1 1 408.464 3.783 50 0 HHAAMO C(=C/c1ccccc1)\C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374655 558554204 /nfs/dbraw/zinc/55/42/04/558554204.db2.gz JIGSNCQNCGVDRW-CZDPRXMLSA-N 1 1 419.569 3.711 50 0 HHAAMO C(=C/c1ccccc1)\CN1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374655 558554206 /nfs/dbraw/zinc/55/42/06/558554206.db2.gz JIGSNCQNCGVDRW-CZDPRXMLSA-N 1 1 419.569 3.711 50 0 HHAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccc(F)cc3OC)C2)cc1OC ZINC000023375308 558554933 /nfs/dbraw/zinc/55/49/33/558554933.db2.gz MXZHMJXBRQHIJN-OAQYLSRUSA-N 1 1 416.537 3.990 50 0 HHAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCC4(CC3)OCCO4)c2c1C ZINC000024840043 558616577 /nfs/dbraw/zinc/61/65/77/558616577.db2.gz IIWOXJWLKCMNRN-UHFFFAOYSA-N 1 1 416.591 3.883 50 0 HHAAMO CC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000024841537 558617004 /nfs/dbraw/zinc/61/70/04/558617004.db2.gz SZBNALBUCOCKIN-UHFFFAOYSA-N 1 1 407.539 3.860 50 0 HHAAMO CC(=O)NCC[NH2+][C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000014118634 558621823 /nfs/dbraw/zinc/62/18/23/558621823.db2.gz KXYGHWZMSOQOLL-QGZVFWFLSA-N 1 1 413.827 3.764 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccccc1Cl ZINC000014168181 558626862 /nfs/dbraw/zinc/62/68/62/558626862.db2.gz JXBYWIINOKMNOV-SFHVURJKSA-N 1 1 415.950 3.783 50 0 HHAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000025330508 558638634 /nfs/dbraw/zinc/63/86/34/558638634.db2.gz PUHKMTSRMNBIOP-UHFFFAOYSA-N 1 1 418.950 3.501 50 0 HHAAMO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000026173123 558656772 /nfs/dbraw/zinc/65/67/72/558656772.db2.gz WYTWCMWAKPFZQN-ROUUACIJSA-N 1 1 420.557 3.842 50 0 HHAAMO COc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C)CC2)c(Cl)c1OC ZINC000014990852 558694250 /nfs/dbraw/zinc/69/42/50/558694250.db2.gz PQGBEDYORHVIAN-UHFFFAOYSA-N 1 1 402.922 3.900 50 0 HHAAMO COc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C)CC2)c(Cl)c1OC ZINC000014990852 558694252 /nfs/dbraw/zinc/69/42/52/558694252.db2.gz PQGBEDYORHVIAN-UHFFFAOYSA-N 1 1 402.922 3.900 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028290006 558696485 /nfs/dbraw/zinc/69/64/85/558696485.db2.gz LVOPCVTXLQBYJN-HXUWFJFHSA-N 1 1 420.509 3.985 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403139 558699988 /nfs/dbraw/zinc/69/99/88/558699988.db2.gz NCWOIKSLCQTSER-OAQYLSRUSA-N 1 1 401.595 3.527 50 0 HHAAMO O=c1c2ccccc2c(-c2cccs2)nn1CN1CC[NH+](Cc2cccs2)CC1 ZINC000029500076 558716004 /nfs/dbraw/zinc/71/60/04/558716004.db2.gz RBWVWLYERBLIFB-UHFFFAOYSA-N 1 1 422.579 3.962 50 0 HHAAMO CCn1c(=O)cc(SCC(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000004564062 558733567 /nfs/dbraw/zinc/73/35/67/558733567.db2.gz GHACAOSFFQCUQY-HDICACEKSA-N 1 1 415.603 3.883 50 0 HHAAMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422476 558790302 /nfs/dbraw/zinc/79/03/02/558790302.db2.gz AKJTUKAPPLXDSM-UHFFFAOYSA-N 1 1 420.479 3.580 50 0 HHAAMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422476 558790304 /nfs/dbraw/zinc/79/03/04/558790304.db2.gz AKJTUKAPPLXDSM-UHFFFAOYSA-N 1 1 420.479 3.580 50 0 HHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000016695566 558800945 /nfs/dbraw/zinc/80/09/45/558800945.db2.gz KWWCYNRACWATHP-OAHLLOKOSA-N 1 1 421.335 3.646 50 0 HHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000016695566 558800947 /nfs/dbraw/zinc/80/09/47/558800947.db2.gz KWWCYNRACWATHP-OAHLLOKOSA-N 1 1 421.335 3.646 50 0 HHAAMO COC(=O)c1c(C)c(C)sc1NC(=S)N1CC[NH+](CCc2ccccc2)CC1 ZINC000017091217 558819840 /nfs/dbraw/zinc/81/98/40/558819840.db2.gz UCKXGPOPQMIVPL-UHFFFAOYSA-N 1 1 417.600 3.709 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018271407 558835160 /nfs/dbraw/zinc/83/51/60/558835160.db2.gz RONKPWXRKIXARG-LJQANCHMSA-N 1 1 401.869 3.688 50 0 HHAAMO O=C(c1c[nH]c2ccccc12)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000019146970 558846770 /nfs/dbraw/zinc/84/67/70/558846770.db2.gz QZKCIDSHXXKUOZ-GOSISDBHSA-N 1 1 406.505 3.734 50 0 HHAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 ZINC000019147128 558846790 /nfs/dbraw/zinc/84/67/90/558846790.db2.gz DDXUCNKGWNDEKK-GOSISDBHSA-N 1 1 421.566 3.943 50 0 HHAAMO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+](C)Cc4ccccc4)CC3)nc2c1 ZINC000033070796 558866156 /nfs/dbraw/zinc/86/61/56/558866156.db2.gz SZVQCGODXSFGOJ-UHFFFAOYSA-N 1 1 419.573 3.726 50 0 HHAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+](C)Cc4ccccc4)CC3)[nH]c2c1 ZINC000033070796 558866159 /nfs/dbraw/zinc/86/61/59/558866159.db2.gz SZVQCGODXSFGOJ-UHFFFAOYSA-N 1 1 419.573 3.726 50 0 HHAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[N@H+](C)Cc4ccccc4)CC3)[nH]c2c1 ZINC000033070796 558866163 /nfs/dbraw/zinc/86/61/63/558866163.db2.gz SZVQCGODXSFGOJ-UHFFFAOYSA-N 1 1 419.573 3.726 50 0 HHAAMO Cc1c(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000055090102 558871955 /nfs/dbraw/zinc/87/19/55/558871955.db2.gz IADGHCZGELKRJR-UHFFFAOYSA-N 1 1 405.477 3.646 50 0 HHAAMO Cc1nc(C)c(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)s1 ZINC000055153362 558874119 /nfs/dbraw/zinc/87/41/19/558874119.db2.gz KMXIHWHENWMZKM-IBGZPJMESA-N 1 1 418.994 3.840 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000046388352 558891426 /nfs/dbraw/zinc/89/14/26/558891426.db2.gz KBXATALWVVWXFZ-FQEVSTJZSA-N 1 1 405.464 3.814 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000046388352 558891428 /nfs/dbraw/zinc/89/14/28/558891428.db2.gz KBXATALWVVWXFZ-FQEVSTJZSA-N 1 1 405.464 3.814 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000046388352 558891430 /nfs/dbraw/zinc/89/14/30/558891430.db2.gz KBXATALWVVWXFZ-FQEVSTJZSA-N 1 1 405.464 3.814 50 0 HHAAMO O=S(=O)(c1ccccc1F)N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058158609 558903853 /nfs/dbraw/zinc/90/38/53/558903853.db2.gz BFVNUDSALSSJKX-CTNGQTDRSA-N 1 1 402.535 3.891 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3csc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C ZINC000019535168 558913585 /nfs/dbraw/zinc/91/35/85/558913585.db2.gz MANPCYPOKUZIRQ-NRFANRHFSA-N 1 1 416.587 3.645 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3csc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C ZINC000019535168 558913587 /nfs/dbraw/zinc/91/35/87/558913587.db2.gz MANPCYPOKUZIRQ-NRFANRHFSA-N 1 1 416.587 3.645 50 0 HHAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673274 558991086 /nfs/dbraw/zinc/99/10/86/558991086.db2.gz KEMOEUZWPIVOPM-LJQANCHMSA-N 1 1 400.906 3.918 50 0 HHAAMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097212895 559012448 /nfs/dbraw/zinc/01/24/48/559012448.db2.gz DXUWABFAHZMUTR-HZPDHXFCSA-N 1 1 400.548 3.718 50 0 HHAAMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083854 559036597 /nfs/dbraw/zinc/03/65/97/559036597.db2.gz ZCLNJGMGKIGSLU-JOCHJYFZSA-N 1 1 412.622 3.987 50 0 HHAAMO CN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCCC1 ZINC000082092942 559037305 /nfs/dbraw/zinc/03/73/05/559037305.db2.gz ROHNCMGJKZNKHB-QFIPXVFZSA-N 1 1 412.622 3.939 50 0 HHAAMO CC(C)C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082108348 559038630 /nfs/dbraw/zinc/03/86/30/559038630.db2.gz OREGTQIBNICXQW-QHCPKHFHSA-N 1 1 412.622 3.653 50 0 HHAAMO CC(C)C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082108600 559038698 /nfs/dbraw/zinc/03/86/98/559038698.db2.gz XIURZMWYKOPQMS-QHCPKHFHSA-N 1 1 412.622 3.653 50 0 HHAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000033331749 559062544 /nfs/dbraw/zinc/06/25/44/559062544.db2.gz OFYWZBXOXUJSJJ-UHFFFAOYSA-N 1 1 424.501 3.610 50 0 HHAAMO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000033331749 559062545 /nfs/dbraw/zinc/06/25/45/559062545.db2.gz OFYWZBXOXUJSJJ-UHFFFAOYSA-N 1 1 424.501 3.610 50 0 HHAAMO O=C(CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000095347283 559079589 /nfs/dbraw/zinc/07/95/89/559079589.db2.gz GJTHOXFOOJTJGT-NRFANRHFSA-N 1 1 401.510 3.807 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[N@@H+](C)[C@@H](CCO)C2)cc1 ZINC000106991101 559164189 /nfs/dbraw/zinc/16/41/89/559164189.db2.gz BRYLWTLKSMIBHH-QFIPXVFZSA-N 1 1 405.542 3.717 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCN(C)[C@@H](CCO)C2)cc1 ZINC000106991101 559164190 /nfs/dbraw/zinc/16/41/90/559164190.db2.gz BRYLWTLKSMIBHH-QFIPXVFZSA-N 1 1 405.542 3.717 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCN(C)[C@@H](CCO)C2)cc1 ZINC000106991101 559164192 /nfs/dbraw/zinc/16/41/92/559164192.db2.gz BRYLWTLKSMIBHH-QFIPXVFZSA-N 1 1 405.542 3.717 50 0 HHAAMO CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022881 559187769 /nfs/dbraw/zinc/18/77/69/559187769.db2.gz LYKODIIJGXCNLM-DEOSSOPVSA-N 1 1 421.516 3.933 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(Br)ccc1Cl ZINC000033445183 559193115 /nfs/dbraw/zinc/19/31/15/559193115.db2.gz UZHMTBAALCWTOS-UHFFFAOYSA-N 1 1 415.759 3.867 50 0 HHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000248115873 559264126 /nfs/dbraw/zinc/26/41/26/559264126.db2.gz SHTFPMVMGLVGSN-GUTXKFCHSA-N 1 1 419.360 3.614 50 0 HHAAMO O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012002813 559270778 /nfs/dbraw/zinc/27/07/78/559270778.db2.gz VAXIVGWIPSMWAR-HSZRJFAPSA-N 1 1 409.574 3.506 50 0 HHAAMO CCc1cnc(C)nc1N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000426435475 559271431 /nfs/dbraw/zinc/27/14/31/559271431.db2.gz ZBODEBHSYDVENZ-XMMPIXPASA-N 1 1 410.562 3.857 50 0 HHAAMO CCc1cnc(C)nc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000426435474 559271455 /nfs/dbraw/zinc/27/14/55/559271455.db2.gz ZBODEBHSYDVENZ-DEOSSOPVSA-N 1 1 410.562 3.857 50 0 HHAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@@H+](CCOc1ccccc1)C2 ZINC000426538642 559274614 /nfs/dbraw/zinc/27/46/14/559274614.db2.gz ULHOSFHAYIAXFC-HSZRJFAPSA-N 1 1 400.469 3.858 50 0 HHAAMO Cc1cc(C)cc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1 ZINC000005259440 560551080 /nfs/dbraw/zinc/55/10/80/560551080.db2.gz HVRNAFUTBZPLBQ-UHFFFAOYSA-N 1 1 401.514 3.765 50 0 HHAAMO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)c1C ZINC000061880474 560561978 /nfs/dbraw/zinc/56/19/78/560561978.db2.gz FXCOZXNSJZUWTG-FQEVSTJZSA-N 1 1 416.569 3.880 50 0 HHAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)N1CCCCC1 ZINC000015953598 560650453 /nfs/dbraw/zinc/65/04/53/560650453.db2.gz QIDPWIKJFMARTD-FGCOXFRFSA-N 1 1 400.563 3.766 50 0 biogenic HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2SCCS2)cc1 ZINC000018217387 560784897 /nfs/dbraw/zinc/78/48/97/560784897.db2.gz JRXXQSVKIGGDEY-UHFFFAOYSA-N 1 1 414.596 3.927 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000102384560 560810345 /nfs/dbraw/zinc/81/03/45/560810345.db2.gz GVLMYCDURYZGEO-AHRSYUTCSA-N 1 1 424.488 3.905 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1[N@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000102384560 560810346 /nfs/dbraw/zinc/81/03/46/560810346.db2.gz GVLMYCDURYZGEO-AHRSYUTCSA-N 1 1 424.488 3.905 50 0 HHAAMO CCN1C[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000104805904 560855063 /nfs/dbraw/zinc/85/50/63/560855063.db2.gz SCBLXGYUBWEXPT-CRAIPNDOSA-N 1 1 419.472 3.834 50 0 HHAAMO CCN1C[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000104805904 560855065 /nfs/dbraw/zinc/85/50/65/560855065.db2.gz SCBLXGYUBWEXPT-CRAIPNDOSA-N 1 1 419.472 3.834 50 0 HHAAMO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022908153 568416275 /nfs/dbraw/zinc/41/62/75/568416275.db2.gz WKYMLEXPGUVEOK-OAQYLSRUSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022908153 568416276 /nfs/dbraw/zinc/41/62/76/568416276.db2.gz WKYMLEXPGUVEOK-OAQYLSRUSA-N 1 1 419.550 3.911 50 0 HHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1 ZINC000048313451 568439178 /nfs/dbraw/zinc/43/91/78/568439178.db2.gz MLSBHOKFBBEYQY-OAHLLOKOSA-N 1 1 422.856 3.662 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2Br)C[C@H](C)O1 ZINC000048340206 568440278 /nfs/dbraw/zinc/44/02/78/568440278.db2.gz PNJWOHIOIRZXBS-IYBDPMFKSA-N 1 1 417.347 3.988 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccccc2Br)C[C@H](C)O1 ZINC000048340206 568440279 /nfs/dbraw/zinc/44/02/79/568440279.db2.gz PNJWOHIOIRZXBS-IYBDPMFKSA-N 1 1 417.347 3.988 50 0 HHAAMO CCc1nc(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)sc1C ZINC000048356500 568441229 /nfs/dbraw/zinc/44/12/29/568441229.db2.gz OFPKDPZKUWBDBE-UHFFFAOYSA-N 1 1 406.983 3.814 50 0 HHAAMO CCc1nc(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)sc1C ZINC000048356500 568441230 /nfs/dbraw/zinc/44/12/30/568441230.db2.gz OFPKDPZKUWBDBE-UHFFFAOYSA-N 1 1 406.983 3.814 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2OC(F)F)C[C@@H](C)O1 ZINC000048358423 568441276 /nfs/dbraw/zinc/44/12/76/568441276.db2.gz CVFGOPDTZIPTTI-HZPDHXFCSA-N 1 1 404.457 3.827 50 0 HHAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012328499 568472120 /nfs/dbraw/zinc/47/21/20/568472120.db2.gz GATPCLBCTFRLKD-WMZHIEFXSA-N 1 1 411.521 3.990 50 0 HHAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000033282034 568513400 /nfs/dbraw/zinc/51/34/00/568513400.db2.gz FMHSRYSHFCOHPP-UHFFFAOYSA-N 1 1 412.925 3.551 50 0 HHAAMO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000222089688 568514181 /nfs/dbraw/zinc/51/41/81/568514181.db2.gz GKXKHLBIZXSMRO-NNULNVEZSA-N 1 1 417.638 3.582 50 0 HHAAMO C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288511 568597820 /nfs/dbraw/zinc/59/78/20/568597820.db2.gz VAOBONOYLFKBSP-AVRDEDQJSA-N 1 1 406.555 3.825 50 0 HHAAMO C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288681 568597894 /nfs/dbraw/zinc/59/78/94/568597894.db2.gz XECQAFPUIUQOFF-AUSIDOKSSA-N 1 1 420.582 3.821 50 0 HHAAMO C[C@@H](NC(=O)c1ccncc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288693 568597907 /nfs/dbraw/zinc/59/79/07/568597907.db2.gz CXPFBDGNSOFFAZ-AUSIDOKSSA-N 1 1 420.582 3.821 50 0 HHAAMO CCc1cc2c(CN3CC[NH+](C/C=C/c4ccccc4)CC3)cc(=O)oc2cc1O ZINC000020412532 568605443 /nfs/dbraw/zinc/60/54/43/568605443.db2.gz LLTIILJSUUKCDL-RMKNXTFCSA-N 1 1 404.510 3.892 50 0 HHAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(NC(=O)COC)cc2)CC1)CC(C)C ZINC000095459674 568619716 /nfs/dbraw/zinc/61/97/16/568619716.db2.gz QQCZXTPBMMMDDW-UHFFFAOYSA-N 1 1 418.582 3.883 50 0 HHAAMO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000020735372 568641242 /nfs/dbraw/zinc/64/12/42/568641242.db2.gz FNIHLGZDZGVADG-UMURBWECSA-N 1 1 417.619 3.687 50 0 HHAAMO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000020735376 568641255 /nfs/dbraw/zinc/64/12/55/568641255.db2.gz FNIHLGZDZGVADG-DBHZWCICSA-N 1 1 417.619 3.687 50 0 HHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000096307216 568723649 /nfs/dbraw/zinc/72/36/49/568723649.db2.gz KTLUYIWHWOXAPF-HWYHOQROSA-N 1 1 413.543 3.893 50 0 HHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000096307216 568723652 /nfs/dbraw/zinc/72/36/52/568723652.db2.gz KTLUYIWHWOXAPF-HWYHOQROSA-N 1 1 413.543 3.893 50 0 HHAAMO CCOC(=O)c1nc2ccccc2c(Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)n1 ZINC000021645217 568727954 /nfs/dbraw/zinc/72/79/54/568727954.db2.gz IHBQTPVRUJQNMS-UHFFFAOYSA-N 1 1 419.529 3.688 50 0 HHAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000241135445 568730820 /nfs/dbraw/zinc/73/08/20/568730820.db2.gz JPJIURBMNNBYJB-IRLDBZIGSA-N 1 1 412.555 3.830 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000086053451 568753253 /nfs/dbraw/zinc/75/32/53/568753253.db2.gz GTCAHMKSCHRHET-ISPGYRLHSA-N 1 1 409.917 3.942 50 0 HHAAMO COc1ccc(CC[N@H+](C)CC(=O)Nc2c3c(nc4ccccc42)CCC3)cc1OC ZINC000005846304 568825624 /nfs/dbraw/zinc/82/56/24/568825624.db2.gz ZAMPWEDUWOOSQF-UHFFFAOYSA-N 1 1 419.525 3.854 50 0 HHAAMO COc1ccc(CC[N@@H+](C)CC(=O)Nc2c3c(nc4ccccc42)CCC3)cc1OC ZINC000005846304 568825625 /nfs/dbraw/zinc/82/56/25/568825625.db2.gz ZAMPWEDUWOOSQF-UHFFFAOYSA-N 1 1 419.525 3.854 50 0 HHAAMO c1ccc(COc2ccc(-c3noc(C[NH+]4CCC5(CC4)OCCO5)n3)cc2)cc1 ZINC000057427753 568835940 /nfs/dbraw/zinc/83/59/40/568835940.db2.gz IHWKJNVHQCSQMB-UHFFFAOYSA-N 1 1 407.470 3.655 50 0 HHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CNc2ccc(Br)cc2)CC1 ZINC000057463505 568838358 /nfs/dbraw/zinc/83/83/58/568838358.db2.gz PSJFMRWDYXTMIU-UHFFFAOYSA-N 1 1 402.336 3.514 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000012527182 568843239 /nfs/dbraw/zinc/84/32/39/568843239.db2.gz PTDVBBQIXDZMNK-IBGZPJMESA-N 1 1 406.530 3.576 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000012527182 568843240 /nfs/dbraw/zinc/84/32/40/568843240.db2.gz PTDVBBQIXDZMNK-IBGZPJMESA-N 1 1 406.530 3.576 50 0 HHAAMO c1c(-c2ccccc2)nc2sc(NCc3ccc(C[NH+]4CCOCC4)cc3)nn12 ZINC000012544517 568849713 /nfs/dbraw/zinc/84/97/13/568849713.db2.gz UDQRYGXXMPJXGC-UHFFFAOYSA-N 1 1 405.527 3.902 50 0 HHAAMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029479 568856875 /nfs/dbraw/zinc/85/68/75/568856875.db2.gz ANQGDDDVWITBLK-HNAYVOBHSA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029479 568856876 /nfs/dbraw/zinc/85/68/76/568856876.db2.gz ANQGDDDVWITBLK-HNAYVOBHSA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617545 568872114 /nfs/dbraw/zinc/87/21/14/568872114.db2.gz YBMMTGPAAXNDSS-NVXWUHKLSA-N 1 1 423.538 3.909 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992185 568873036 /nfs/dbraw/zinc/87/30/36/568873036.db2.gz XELZJZRNKWSHBN-PGKMIFDNSA-N 1 1 411.889 3.619 50 0 biogenic HHAAMO CN(C)C(=O)N1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299777056 568874720 /nfs/dbraw/zinc/87/47/20/568874720.db2.gz NPBVXXDLKWKSPS-ZCNNSNEGSA-N 1 1 409.534 3.624 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058011045 568875949 /nfs/dbraw/zinc/87/59/49/568875949.db2.gz INENECQXBFFEDY-PZJWPPBQSA-N 1 1 413.587 3.673 50 0 HHAAMO COc1cc(C[N@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000003421802 568900017 /nfs/dbraw/zinc/90/00/17/568900017.db2.gz HZYVDVHRAUIORB-GOSISDBHSA-N 1 1 404.457 3.922 50 0 HHAAMO COc1cc(C[N@@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)ccc1OC(F)F ZINC000003421802 568900018 /nfs/dbraw/zinc/90/00/18/568900018.db2.gz HZYVDVHRAUIORB-GOSISDBHSA-N 1 1 404.457 3.922 50 0 HHAAMO COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)c1OC ZINC000001240928 568907546 /nfs/dbraw/zinc/90/75/46/568907546.db2.gz GGVGYLZZAGXAJN-GOSISDBHSA-N 1 1 413.543 3.929 50 0 HHAAMO CCN(CC)CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH+](CC)CC)cc2)cc1 ZINC000004697241 568928215 /nfs/dbraw/zinc/92/82/15/568928215.db2.gz GWPSFBCYDGRIRY-UHFFFAOYSA-N 1 1 410.562 3.914 50 0 HHAAMO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012742417 568929401 /nfs/dbraw/zinc/92/94/01/568929401.db2.gz OGNBPGBOIBGZKR-SFHVURJKSA-N 1 1 411.452 3.943 50 0 HHAAMO Cc1ccc(CCC2CC[NH+](CC(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)cc1 ZINC000012749403 568937160 /nfs/dbraw/zinc/93/71/60/568937160.db2.gz XFUUJUCAWILNPQ-UHFFFAOYSA-N 1 1 407.558 3.980 50 0 HHAAMO O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000084528909 568950327 /nfs/dbraw/zinc/95/03/27/568950327.db2.gz WVCGNJGBLYVSLC-WOJBJXKFSA-N 1 1 413.359 3.940 50 0 HHAAMO Cc1ncc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)o1 ZINC000670461423 568951484 /nfs/dbraw/zinc/95/14/84/568951484.db2.gz CCQLCKJDJUKUJZ-RBUKOAKNSA-N 1 1 403.548 3.501 50 0 HHAAMO Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)c1 ZINC000012774409 568953589 /nfs/dbraw/zinc/95/35/89/568953589.db2.gz NAPRMBWEZZCDNU-IAGOWNOFSA-N 1 1 414.575 3.606 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000007988219 568965632 /nfs/dbraw/zinc/96/56/32/568965632.db2.gz JXTRJVPAFJZYDD-FQEVSTJZSA-N 1 1 406.482 3.759 50 0 HHAAMO CC[N@@H+](CCNC(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)Cc1ccccc1 ZINC000015727622 568978697 /nfs/dbraw/zinc/97/86/97/568978697.db2.gz YOASULXLCPYVCL-UHFFFAOYSA-N 1 1 421.545 3.773 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)CNC(=O)Cc1cccc2ccccc21)c1ccccc1Cl ZINC000008262318 568985739 /nfs/dbraw/zinc/98/57/39/568985739.db2.gz KBPXTHRCUIPXBZ-QFIPXVFZSA-N 1 1 423.944 3.571 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000012819244 568990911 /nfs/dbraw/zinc/99/09/11/568990911.db2.gz AWBUTQZZXZJJSH-UHFFFAOYSA-N 1 1 409.555 3.972 50 0 HHAAMO Cc1ccccc1C[N@@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779705 569002028 /nfs/dbraw/zinc/00/20/28/569002028.db2.gz DUCJLBQJIMAEEA-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779705 569002029 /nfs/dbraw/zinc/00/20/29/569002029.db2.gz DUCJLBQJIMAEEA-UHFFFAOYSA-N 1 1 417.532 3.809 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104328268 569008351 /nfs/dbraw/zinc/00/83/51/569008351.db2.gz PESUMELBLDGGOS-JOCHJYFZSA-N 1 1 404.501 3.659 50 0 HHAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517383 569031235 /nfs/dbraw/zinc/03/12/35/569031235.db2.gz PDWOXIQSPTZXEB-OAQYLSRUSA-N 1 1 406.511 3.798 50 0 HHAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000006230599 569033697 /nfs/dbraw/zinc/03/36/97/569033697.db2.gz IYKRYPCAWRTXRE-VJTSUQJLSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)c(C)c1 ZINC000575621006 569038795 /nfs/dbraw/zinc/03/87/95/569038795.db2.gz NFFQZFBSSBBMCE-SFHVURJKSA-N 1 1 404.557 3.800 50 0 HHAAMO Cc1ccc2c(c1)-c1c(c(C(=O)NCC[N@@H+](C)Cc3ccccc3)nn1C)CS2 ZINC000035534845 569043456 /nfs/dbraw/zinc/04/34/56/569043456.db2.gz YKRVMLAFEIHYGZ-UHFFFAOYSA-N 1 1 406.555 3.863 50 0 HHAAMO FC(F)(F)c1cccc(-c2noc(CCC[NH+]3CCN(c4nccs4)CC3)n2)c1 ZINC000012996801 569048264 /nfs/dbraw/zinc/04/82/64/569048264.db2.gz SRWPPVYOGCIGBD-UHFFFAOYSA-N 1 1 423.464 3.967 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@@H+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)c(OC)c1 ZINC000053898473 569052231 /nfs/dbraw/zinc/05/22/31/569052231.db2.gz NKVBQBFKHXTYAB-QHCPKHFHSA-N 1 1 410.514 3.631 50 0 HHAAMO COc1cc(OC)c(C2=CC[N@H+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)c(OC)c1 ZINC000053898473 569052232 /nfs/dbraw/zinc/05/22/32/569052232.db2.gz NKVBQBFKHXTYAB-QHCPKHFHSA-N 1 1 410.514 3.631 50 0 HHAAMO COc1cccc(NC(=O)c2sc(N3CC[NH+](C)CC3)nc2-c2ccccc2)c1 ZINC000006552224 569065305 /nfs/dbraw/zinc/06/53/05/569065305.db2.gz PWKZHKIYFHDILU-UHFFFAOYSA-N 1 1 408.527 3.823 50 0 HHAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(OC)c(OC)c2)CC(C)C)cc1 ZINC000036095637 569089793 /nfs/dbraw/zinc/08/97/93/569089793.db2.gz QNXCNRZKUBRCDJ-IBGZPJMESA-N 1 1 403.519 3.610 50 0 HHAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)cc1 ZINC000064801042 569096885 /nfs/dbraw/zinc/09/68/85/569096885.db2.gz WJJLEWCYXSSDLJ-UHFFFAOYSA-N 1 1 419.485 3.626 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145906 569098449 /nfs/dbraw/zinc/09/84/49/569098449.db2.gz SUEWZKUMSAHMSS-PKTZIBPZSA-N 1 1 414.521 3.854 50 0 HHAAMO Cc1ccc(C)c(N2CCN(C(=O)C3=CC[N@@H+](Cc4cccc(F)c4)CC3)CC2)c1 ZINC000064818077 569101143 /nfs/dbraw/zinc/10/11/43/569101143.db2.gz ZHBCIEISVHKKTC-UHFFFAOYSA-N 1 1 407.533 3.923 50 0 HHAAMO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036250234 569119156 /nfs/dbraw/zinc/11/91/56/569119156.db2.gz YMYFFPRQGIFMJJ-NFBKMPQASA-N 1 1 411.590 3.713 50 0 HHAAMO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036250232 569119202 /nfs/dbraw/zinc/11/92/02/569119202.db2.gz YMYFFPRQGIFMJJ-OFNKIYASSA-N 1 1 411.590 3.713 50 0 HHAAMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036250256 569119211 /nfs/dbraw/zinc/11/92/11/569119211.db2.gz OFTVIZDMACCCLI-PGRDOPGGSA-N 1 1 415.553 3.543 50 0 HHAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)C1 ZINC000036391819 569167545 /nfs/dbraw/zinc/16/75/45/569167545.db2.gz VDBHQVRNGYZTEV-IBGZPJMESA-N 1 1 419.525 3.652 50 0 HHAAMO O=C(c1ccc(C[S@@](=O)c2ccc(F)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006895639 569175485 /nfs/dbraw/zinc/17/54/85/569175485.db2.gz OEIHQTPBSUJIFO-LJAQVGFWSA-N 1 1 418.534 3.817 50 0 HHAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000007488336 569240969 /nfs/dbraw/zinc/24/09/69/569240969.db2.gz HLFCHDOTWLPVMU-SFHVURJKSA-N 1 1 418.588 3.705 50 0 HHAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000007488336 569240970 /nfs/dbraw/zinc/24/09/70/569240970.db2.gz HLFCHDOTWLPVMU-SFHVURJKSA-N 1 1 418.588 3.705 50 0 HHAAMO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c(OC)c1OC ZINC000170597914 569242290 /nfs/dbraw/zinc/24/22/90/569242290.db2.gz TZQXUZABIFTFHD-HNNXBMFYSA-N 1 1 424.419 3.626 50 0 HHAAMO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c12 ZINC000170613556 569246931 /nfs/dbraw/zinc/24/69/31/569246931.db2.gz MXVFHURRBLVQAD-LJQANCHMSA-N 1 1 422.529 3.676 50 0 HHAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000071820942 569254507 /nfs/dbraw/zinc/25/45/07/569254507.db2.gz BKRAGWZUQLQYSL-ZWKOTPCHSA-N 1 1 416.319 3.993 50 0 HHAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000089885240 569267712 /nfs/dbraw/zinc/26/77/12/569267712.db2.gz XLWXNIYHZNYUFS-UHFFFAOYSA-N 1 1 414.497 3.740 50 0 HHAAMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000027134660 569281264 /nfs/dbraw/zinc/28/12/64/569281264.db2.gz ONODVVVYOOLERA-OAHLLOKOSA-N 1 1 411.502 3.973 50 0 HHAAMO C[C@H]([N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000027134665 569281281 /nfs/dbraw/zinc/28/12/81/569281281.db2.gz ONODVVVYOOLERA-HNNXBMFYSA-N 1 1 411.502 3.973 50 0 HHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccs2)ccc1C ZINC000007845882 569314325 /nfs/dbraw/zinc/31/43/25/569314325.db2.gz LYNOGBAVVSJYJB-MRXNPFEDSA-N 1 1 423.604 3.546 50 0 HHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccs2)ccc1C ZINC000007845882 569314326 /nfs/dbraw/zinc/31/43/26/569314326.db2.gz LYNOGBAVVSJYJB-MRXNPFEDSA-N 1 1 423.604 3.546 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc1 ZINC000036385715 569358093 /nfs/dbraw/zinc/35/80/93/569358093.db2.gz FYLLKYZNUBYPTL-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc1 ZINC000036385715 569358094 /nfs/dbraw/zinc/35/80/94/569358094.db2.gz FYLLKYZNUBYPTL-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccc(CN2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc1 ZINC000036385715 569358095 /nfs/dbraw/zinc/35/80/95/569358095.db2.gz FYLLKYZNUBYPTL-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc1 ZINC000036385715 569358096 /nfs/dbraw/zinc/35/80/96/569358096.db2.gz FYLLKYZNUBYPTL-OAQYLSRUSA-N 1 1 407.558 3.944 50 0 HHAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1 ZINC000078726161 569420054 /nfs/dbraw/zinc/42/00/54/569420054.db2.gz XXGZYUBTYBRIAQ-HXUWFJFHSA-N 1 1 406.530 3.558 50 0 HHAAMO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@H+]1C ZINC000078870213 569421021 /nfs/dbraw/zinc/42/10/21/569421021.db2.gz OIOJDZZVRKWRCQ-KDOFPFPSSA-N 1 1 405.336 3.922 50 0 HHAAMO C[C@@H]([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000040017890 571139131 /nfs/dbraw/zinc/13/91/31/571139131.db2.gz RTYRTOXHFCYUNW-GFCCVEGCSA-N 1 1 412.292 3.692 50 0 HHAAMO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1cc(F)ccc1F ZINC000008901173 571144643 /nfs/dbraw/zinc/14/46/43/571144643.db2.gz KHEAFSAKJGAGNA-QGZVFWFLSA-N 1 1 400.516 3.922 50 0 HHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000040112320 571170421 /nfs/dbraw/zinc/17/04/21/571170421.db2.gz NIFLSDDZLPLGGK-SFHVURJKSA-N 1 1 403.526 3.619 50 0 HHAAMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245237175 571219395 /nfs/dbraw/zinc/21/93/95/571219395.db2.gz FWZCQWCDPGAPFG-SOLBZPMBSA-N 1 1 412.500 3.696 50 0 HHAAMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245237175 571219396 /nfs/dbraw/zinc/21/93/96/571219396.db2.gz FWZCQWCDPGAPFG-SOLBZPMBSA-N 1 1 412.500 3.696 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@H]1CCOc2ccccc21 ZINC000245237649 571219404 /nfs/dbraw/zinc/21/94/04/571219404.db2.gz PFMVLVPFXJNEQA-PMACEKPBSA-N 1 1 408.498 3.625 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@H]1CCOc2ccccc21 ZINC000245237649 571219405 /nfs/dbraw/zinc/21/94/05/571219405.db2.gz PFMVLVPFXJNEQA-PMACEKPBSA-N 1 1 408.498 3.625 50 0 HHAAMO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C ZINC000009502353 571263446 /nfs/dbraw/zinc/26/34/46/571263446.db2.gz FLFYZLVOONTNSI-LJQANCHMSA-N 1 1 409.486 3.560 50 0 HHAAMO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1C ZINC000009502353 571263447 /nfs/dbraw/zinc/26/34/47/571263447.db2.gz FLFYZLVOONTNSI-LJQANCHMSA-N 1 1 409.486 3.560 50 0 HHAAMO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000077191595 571312244 /nfs/dbraw/zinc/31/22/44/571312244.db2.gz VLXGLQXJBIAJPZ-UHFFFAOYSA-N 1 1 416.905 3.936 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)[N@H+](Cc1ccccc1C)CC2 ZINC000034855672 571316677 /nfs/dbraw/zinc/31/66/77/571316677.db2.gz XKYTTYLZHFFMQZ-OAQYLSRUSA-N 1 1 411.546 3.819 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)[N@@H+](Cc1ccccc1C)CC2 ZINC000034855672 571316678 /nfs/dbraw/zinc/31/66/78/571316678.db2.gz XKYTTYLZHFFMQZ-OAQYLSRUSA-N 1 1 411.546 3.819 50 0 HHAAMO Cc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)nc1C ZINC000011820120 962199814 /nfs/dbraw/zinc/19/98/14/962199814.db2.gz YDEAGFNIGFKKBC-IBGZPJMESA-N 1 1 404.518 3.643 50 0 HHAAMO CSc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934584 962209980 /nfs/dbraw/zinc/20/99/80/962209980.db2.gz JGLIOQGDZYNWDO-OAQYLSRUSA-N 1 1 404.530 3.965 50 0 HHAAMO CSc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934584 962209995 /nfs/dbraw/zinc/20/99/95/962209995.db2.gz JGLIOQGDZYNWDO-OAQYLSRUSA-N 1 1 404.530 3.965 50 0 HHAAMO CSc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934584 962210007 /nfs/dbraw/zinc/21/00/07/962210007.db2.gz JGLIOQGDZYNWDO-OAQYLSRUSA-N 1 1 404.530 3.965 50 0 HHAAMO CCCC[C@H]1C[N@@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 ZINC000012160331 962247077 /nfs/dbraw/zinc/24/70/77/962247077.db2.gz OZRFPZKWXWFHHQ-QFIPXVFZSA-N 1 1 411.546 3.810 50 0 HHAAMO C[C@H]1CN(C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)CC[N@@H+]1C ZINC000012196946 962252203 /nfs/dbraw/zinc/25/22/03/962252203.db2.gz IWUKXYWHKDRBGB-LBPRGKRZSA-N 1 1 408.449 3.858 50 0 HHAAMO C[C@H]1CN(C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)CC[N@H+]1C ZINC000012196946 962252210 /nfs/dbraw/zinc/25/22/10/962252210.db2.gz IWUKXYWHKDRBGB-LBPRGKRZSA-N 1 1 408.449 3.858 50 0 HHAAMO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)[nH]n1 ZINC000012301436 962267462 /nfs/dbraw/zinc/26/74/62/962267462.db2.gz VNAZKOHMCWKZRU-XMMPIXPASA-N 1 1 408.546 3.864 50 0 HHAAMO CCCCc1nc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c[nH]1 ZINC000012301396 962267512 /nfs/dbraw/zinc/26/75/12/962267512.db2.gz FENRLBSYJDQSGI-WXVUKLJWSA-N 1 1 408.546 3.699 50 0 HHAAMO CCCCc1nc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c[nH]1 ZINC000012301396 962267527 /nfs/dbraw/zinc/26/75/27/962267527.db2.gz FENRLBSYJDQSGI-WXVUKLJWSA-N 1 1 408.546 3.699 50 0 HHAAMO CCn1nc(C)cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012442827 962280950 /nfs/dbraw/zinc/28/09/50/962280950.db2.gz KKTCJMREYPQUKO-QFIPXVFZSA-N 1 1 402.489 3.618 50 0 HHAAMO CCn1nc(C)cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012442827 962280962 /nfs/dbraw/zinc/28/09/62/962280962.db2.gz KKTCJMREYPQUKO-QFIPXVFZSA-N 1 1 402.489 3.618 50 0 HHAAMO CCCN1CCC([N@@H+]2CCC[C@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973858 962614436 /nfs/dbraw/zinc/61/44/36/962614436.db2.gz BWZKDSSDGKLBLY-XMMPIXPASA-N 1 1 402.579 3.975 50 0 HHAAMO CCCN1CCC([N@H+]2CCC[C@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973858 962614443 /nfs/dbraw/zinc/61/44/43/962614443.db2.gz BWZKDSSDGKLBLY-XMMPIXPASA-N 1 1 402.579 3.975 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1OC ZINC000014979890 962616874 /nfs/dbraw/zinc/61/68/74/962616874.db2.gz GVKISKWSRXCFAK-CTNGQTDRSA-N 1 1 412.505 3.970 50 0 HHAAMO Cc1c(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229003 963357820 /nfs/dbraw/zinc/35/78/20/963357820.db2.gz BUDJSXQMAIQOOF-XMMPIXPASA-N 1 1 416.569 3.507 50 0 HHAAMO Cc1c(C[N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229003 963357826 /nfs/dbraw/zinc/35/78/26/963357826.db2.gz BUDJSXQMAIQOOF-XMMPIXPASA-N 1 1 416.569 3.507 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229003 963357838 /nfs/dbraw/zinc/35/78/38/963357838.db2.gz BUDJSXQMAIQOOF-XMMPIXPASA-N 1 1 416.569 3.507 50 0 HHAAMO OCC[C@H]1CN(Cc2ccc3cc(Cl)ccc3n2)CC[N@H+]1CCc1ccccc1 ZINC000019836595 963374943 /nfs/dbraw/zinc/37/49/43/963374943.db2.gz KJADPRQJVGOYPO-QHCPKHFHSA-N 1 1 409.961 4.000 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1OC ZINC000020999162 963410744 /nfs/dbraw/zinc/41/07/44/963410744.db2.gz ISELDSYKXJQDAY-SFHVURJKSA-N 1 1 420.985 3.538 50 0 HHAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C3)s1 ZINC000039354997 966492376 /nfs/dbraw/zinc/49/23/76/966492376.db2.gz YDVFMXIQRPAVIG-AEFFLSMTSA-N 1 1 416.518 3.661 50 0 HHAAMO C[C@@H](c1ccon1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000042628379 966813382 /nfs/dbraw/zinc/81/33/82/966813382.db2.gz YOHOSSXKWIEJSP-DZGCQCFKSA-N 1 1 405.882 3.631 50 0 HHAAMO O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096011738 969041019 /nfs/dbraw/zinc/04/10/19/969041019.db2.gz IGRNSXPILTUZPA-RGFVMQALSA-N 1 1 416.468 3.574 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC000096841614 969053100 /nfs/dbraw/zinc/05/31/00/969053100.db2.gz RFGDXNRTDOMGPC-GIFJBRJJSA-N 1 1 416.905 3.552 50 0 HHAAMO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000243932325 970468018 /nfs/dbraw/zinc/46/80/18/970468018.db2.gz BUYCTCTVLCYXEL-UWJYYQICSA-N 1 1 403.526 3.987 50 0 HHAAMO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000243932325 970468021 /nfs/dbraw/zinc/46/80/21/970468021.db2.gz BUYCTCTVLCYXEL-UWJYYQICSA-N 1 1 403.526 3.987 50 0 HHAAMO COc1cc(CN2CCC3(C[N@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc(OC)c1 ZINC000257174629 970615727 /nfs/dbraw/zinc/61/57/27/970615727.db2.gz IZQDUBISSBRXDV-HXUWFJFHSA-N 1 1 414.550 3.522 50 0 HHAAMO COc1cc(CN2CCC3(C[N@@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc(OC)c1 ZINC000257174629 970615749 /nfs/dbraw/zinc/61/57/49/970615749.db2.gz IZQDUBISSBRXDV-HXUWFJFHSA-N 1 1 414.550 3.522 50 0 HHAAMO O=C(CC(F)(F)F)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000169748705 1075688547 /nfs/dbraw/zinc/68/85/47/1075688547.db2.gz QLSUSFLBYWDMAH-UHFFFAOYSA-N 1 1 404.432 3.918 50 0 HHAAMO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCN(C)CC2)OCO4)cc1C ZINC000004315823 132275061 /nfs/dbraw/zinc/27/50/61/132275061.db2.gz NTWIAUJPYNBYJX-UHFFFAOYSA-N 1 1 403.482 3.563 50 0 HHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccs2)CC1 ZINC000005027986 132298787 /nfs/dbraw/zinc/29/87/87/132298787.db2.gz DCJFELGFJXMHMT-UHFFFAOYSA-N 1 1 408.980 3.670 50 0 HHAAMO C[C@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020857479 132471275 /nfs/dbraw/zinc/47/12/75/132471275.db2.gz ODVTUYLPEXYOHS-HTAPYJJXSA-N 1 1 424.545 3.964 50 0 HHAAMO CC(=O)N1CCC([N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000020586787 519512406 /nfs/dbraw/zinc/51/24/06/519512406.db2.gz LJYRHOWTJXDMTI-QFIPXVFZSA-N 1 1 422.529 3.678 50 0 HHAAMO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1ccc(Cl)cc1 ZINC000032736313 519682843 /nfs/dbraw/zinc/68/28/43/519682843.db2.gz WHKWUKIQMCHUFO-QFIPXVFZSA-N 1 1 413.949 3.560 50 0 HHAAMO CC(=O)N[C@H](CC(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1)c1cccs1 ZINC000032885690 519696968 /nfs/dbraw/zinc/69/69/68/519696968.db2.gz AYJZHFHGXPLLDY-JKIFEVAISA-N 1 1 420.604 3.889 50 0 HHAAMO CC(=O)N[C@H](CC(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1)c1cccs1 ZINC000032885690 519696971 /nfs/dbraw/zinc/69/69/71/519696971.db2.gz AYJZHFHGXPLLDY-JKIFEVAISA-N 1 1 420.604 3.889 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560302 520509378 /nfs/dbraw/zinc/50/93/78/520509378.db2.gz LCXOXZIDTMJDEH-QFIPXVFZSA-N 1 1 407.514 3.688 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560302 520509382 /nfs/dbraw/zinc/50/93/82/520509382.db2.gz LCXOXZIDTMJDEH-QFIPXVFZSA-N 1 1 407.514 3.688 50 0 HHAAMO CCOc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OCC)c1OCC ZINC000019797507 520657758 /nfs/dbraw/zinc/65/77/58/520657758.db2.gz XOSYOMQQMKLAEP-UHFFFAOYSA-N 1 1 412.530 3.841 50 0 HHAAMO CN(CCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000044916846 522842054 /nfs/dbraw/zinc/84/20/54/522842054.db2.gz LCPYKPQALGGKOA-UHFFFAOYSA-N 1 1 403.929 3.944 50 0 HHAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000032951958 524221205 /nfs/dbraw/zinc/22/12/05/524221205.db2.gz GJBOLYSBUUMRNF-OAHLLOKOSA-N 1 1 415.397 3.582 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cc2)C1 ZINC000032930078 524233620 /nfs/dbraw/zinc/23/36/20/524233620.db2.gz LPFMLRPVTKIAFD-GOSISDBHSA-N 1 1 419.529 3.613 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598580 524562584 /nfs/dbraw/zinc/56/25/84/524562584.db2.gz WMLJKHBEZNJQJG-NRFANRHFSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598580 524562598 /nfs/dbraw/zinc/56/25/98/524562598.db2.gz WMLJKHBEZNJQJG-NRFANRHFSA-N 1 1 413.537 3.630 50 0 HHAAMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000032722550 524909981 /nfs/dbraw/zinc/90/99/81/524909981.db2.gz GJOOTGPPTQJLDA-RTBURBONSA-N 1 1 415.965 3.743 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccnc(OC4CCCC4)c3)cc2)C[C@@H](C)O1 ZINC000031899954 524990958 /nfs/dbraw/zinc/99/09/58/524990958.db2.gz RTXRRYGRTIHFTA-RTBURBONSA-N 1 1 423.557 3.942 50 0 HHAAMO Cc1ccccc1C(=O)Nc1nc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000040355381 525066429 /nfs/dbraw/zinc/06/64/29/525066429.db2.gz MEPMCOKDTGRWBL-MRXNPFEDSA-N 1 1 400.548 3.698 50 0 HHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000032483337 525143190 /nfs/dbraw/zinc/14/31/90/525143190.db2.gz HSZXODXEMYZUQB-UHFFFAOYSA-N 1 1 420.557 3.583 50 0 HHAAMO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032873761 525254344 /nfs/dbraw/zinc/25/43/44/525254344.db2.gz WOZKEAJRAMDIOZ-QGZVFWFLSA-N 1 1 409.511 3.906 50 0 HHAAMO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)c2cc1C ZINC000022806296 525689665 /nfs/dbraw/zinc/68/96/65/525689665.db2.gz ZACSUUBETNQTAW-UHFFFAOYSA-N 1 1 404.510 3.663 50 0 HHAAMO c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538564 526423104 /nfs/dbraw/zinc/42/31/04/526423104.db2.gz DZDQNOPGIHQEMH-HSZRJFAPSA-N 1 1 401.558 3.659 50 0 HHAAMO c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538564 526423110 /nfs/dbraw/zinc/42/31/10/526423110.db2.gz DZDQNOPGIHQEMH-HSZRJFAPSA-N 1 1 401.558 3.659 50 0 HHAAMO Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)c1C ZINC000020580517 526450325 /nfs/dbraw/zinc/45/03/25/526450325.db2.gz VUDLLLJDXFIAAD-UHFFFAOYSA-N 1 1 417.575 3.906 50 0 HHAAMO O=C(NCc1cc(F)cc(F)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930058 526640695 /nfs/dbraw/zinc/64/06/95/526640695.db2.gz LHNUADYNSSIQKE-UHFFFAOYSA-N 1 1 412.440 3.543 50 0 HHAAMO Cn1c(C(=O)NCCC[NH+]2CCOCC2)cc2oc(-c3ccccc3Cl)cc21 ZINC000040266275 527043386 /nfs/dbraw/zinc/04/33/86/527043386.db2.gz TWZJVGLNTRAIOS-UHFFFAOYSA-N 1 1 401.894 3.544 50 0 HHAAMO O=C(/C=C/c1ccc(Br)s1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716238 527606056 /nfs/dbraw/zinc/60/60/56/527606056.db2.gz WSONZXNSMMLVCB-SOFGYWHQSA-N 1 1 421.360 3.672 50 0 HHAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(c3nccs3)CC2)n1 ZINC000009613866 535614611 /nfs/dbraw/zinc/61/46/11/535614611.db2.gz FXQMGKZNMZTDSW-UHFFFAOYSA-N 1 1 416.620 3.933 50 0 HHAAMO COc1ccc2cc(C[NH2+]Cc3ccccc3F)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000011782217 537035154 /nfs/dbraw/zinc/03/51/54/537035154.db2.gz XILQXIXJPVFADR-QGZVFWFLSA-N 1 1 409.505 3.881 50 0 HHAAMO CC(C)CCNC(=O)c1coc(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000034678249 557366303 /nfs/dbraw/zinc/36/63/03/557366303.db2.gz MXNWADDTUKDVEG-UHFFFAOYSA-N 1 1 412.578 3.892 50 0 HHAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc1)c1ccccc1F ZINC000034681729 557383405 /nfs/dbraw/zinc/38/34/05/557383405.db2.gz ZWRCZVVQEZHUAF-UHFFFAOYSA-N 1 1 405.477 3.580 50 0 HHAAMO CCOc1ccc(-c2cc(C(=O)NN3CC[NH+](C)CC3)c3cc(Cl)ccc3n2)cc1 ZINC000002867846 557413322 /nfs/dbraw/zinc/41/33/22/557413322.db2.gz VXASBNXOVHIRNV-UHFFFAOYSA-N 1 1 424.932 3.846 50 0 HHAAMO Cc1cc([C@@H]2C[C@@H](C(=O)N3CCOCC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716778 557430466 /nfs/dbraw/zinc/43/04/66/557430466.db2.gz GZYJQPIIMAMLAA-NHCUHLMSSA-N 1 1 414.496 3.738 50 0 HHAAMO COCC(=O)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(C)C ZINC000034740916 557444416 /nfs/dbraw/zinc/44/44/16/557444416.db2.gz IQMZANICZKCOLZ-NQIIRXRSSA-N 1 1 416.587 3.856 50 0 HHAAMO Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000003874478 557501889 /nfs/dbraw/zinc/50/18/89/557501889.db2.gz ZHVWWEYETMPAMX-IFKAHUTRSA-N 1 1 415.489 3.838 50 0 in-vitro HHAAMO CC(C)c1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc(N2CCC[C@@H](c3cc[nH]n3)C2)[nH+]1 ZINC000097377622 557752432 /nfs/dbraw/zinc/75/24/32/557752432.db2.gz ICYDSYXRDYWDSM-ZWKOTPCHSA-N 1 1 420.565 3.814 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022908205 557857221 /nfs/dbraw/zinc/85/72/21/557857221.db2.gz QHEPQBJIYVSDPR-FQEVSTJZSA-N 1 1 405.523 3.602 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022908205 557857225 /nfs/dbraw/zinc/85/72/25/557857225.db2.gz QHEPQBJIYVSDPR-FQEVSTJZSA-N 1 1 405.523 3.602 50 0 HHAAMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc(OC)c1OC ZINC000011717939 558271968 /nfs/dbraw/zinc/27/19/68/558271968.db2.gz QOSZIUVHLPOTET-GOSISDBHSA-N 1 1 416.493 3.588 50 0 HHAAMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc(OC)c1OC ZINC000011717939 558271972 /nfs/dbraw/zinc/27/19/72/558271972.db2.gz QOSZIUVHLPOTET-GOSISDBHSA-N 1 1 416.493 3.588 50 0 HHAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](CC1CCCCC1)CC2 ZINC000019781897 558281428 /nfs/dbraw/zinc/28/14/28/558281428.db2.gz OSAZWIGVQVQFPI-IBGZPJMESA-N 1 1 409.578 3.527 50 0 HHAAMO COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000011820298 558283747 /nfs/dbraw/zinc/28/37/47/558283747.db2.gz CGLWRPHFKACCDM-HXUWFJFHSA-N 1 1 404.514 3.822 50 0 HHAAMO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCCCn1cccn1 ZINC000019850650 558295415 /nfs/dbraw/zinc/29/54/15/558295415.db2.gz HBUSOKPCXOUCMY-QHCPKHFHSA-N 1 1 422.504 3.555 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000019909300 558306094 /nfs/dbraw/zinc/30/60/94/558306094.db2.gz DGSMYRCAOASHKC-QHCPKHFHSA-N 1 1 418.537 3.924 50 0 HHAAMO OCCOc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000012037420 558312060 /nfs/dbraw/zinc/31/20/60/558312060.db2.gz XYWNZGNMAHSKAB-RUZDIDTESA-N 1 1 419.521 3.728 50 0 HHAAMO OCCOc1ccc(C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000012037420 558312062 /nfs/dbraw/zinc/31/20/62/558312062.db2.gz XYWNZGNMAHSKAB-RUZDIDTESA-N 1 1 419.521 3.728 50 0 HHAAMO COc1ccccc1OCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012049639 558313607 /nfs/dbraw/zinc/31/36/07/558313607.db2.gz FCFHONCSPXTZPZ-OAQYLSRUSA-N 1 1 410.558 3.796 50 0 HHAAMO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@@H]2c1cccnc1 ZINC000020028266 558322702 /nfs/dbraw/zinc/32/27/02/558322702.db2.gz AUGSQLSMKMHBTI-QFIPXVFZSA-N 1 1 414.513 3.936 50 0 HHAAMO Cc1cc(CN(C)C(=O)C2([N@@H+](C)CCc3ccccc3)Cc3ccccc3C2)on1 ZINC000012112213 558326726 /nfs/dbraw/zinc/32/67/26/558326726.db2.gz CNFNMIFRJWJBJP-UHFFFAOYSA-N 1 1 403.526 3.654 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(C/C=C/c3ccccc3OC)C[C@@H]2CCO)cc1 ZINC000020201564 558345563 /nfs/dbraw/zinc/34/55/63/558345563.db2.gz LNDUVYGXYZIAIR-DRGXBFSJSA-N 1 1 410.558 3.676 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000020211466 558347410 /nfs/dbraw/zinc/34/74/10/558347410.db2.gz AOYMBJJKCTVGFX-IBGZPJMESA-N 1 1 404.986 3.777 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C ZINC000020234400 558350516 /nfs/dbraw/zinc/35/05/16/558350516.db2.gz DNHYOAIUKCOWJH-DEOSSOPVSA-N 1 1 410.558 3.583 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C ZINC000020234400 558350520 /nfs/dbraw/zinc/35/05/20/558350520.db2.gz DNHYOAIUKCOWJH-DEOSSOPVSA-N 1 1 410.558 3.583 50 0 HHAAMO CC(C)c1nc2sc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020438790 558363608 /nfs/dbraw/zinc/36/36/08/558363608.db2.gz SOZUFQKHWGWOFC-UHFFFAOYSA-N 1 1 411.575 3.986 50 0 HHAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012299790 558369865 /nfs/dbraw/zinc/36/98/65/558369865.db2.gz JKIOTOIFDNLZKT-KRWDZBQOSA-N 1 1 400.954 3.616 50 0 HHAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012299790 558369868 /nfs/dbraw/zinc/36/98/68/558369868.db2.gz JKIOTOIFDNLZKT-KRWDZBQOSA-N 1 1 400.954 3.616 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)cc1 ZINC000012303693 558373122 /nfs/dbraw/zinc/37/31/22/558373122.db2.gz UXTOBSWROYPEKZ-JENJNIGESA-N 1 1 414.571 3.789 50 0 HHAAMO CCn1ccnc1CN(C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012306029 558375096 /nfs/dbraw/zinc/37/50/96/558375096.db2.gz URQKIXHKDYHYHK-JOCHJYFZSA-N 1 1 414.594 3.539 50 0 HHAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1CCCn1cccn1 ZINC000012309036 558377161 /nfs/dbraw/zinc/37/71/61/558377161.db2.gz KTTFAFBFVSWVCQ-JOCHJYFZSA-N 1 1 405.502 3.954 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012317522 558380851 /nfs/dbraw/zinc/38/08/51/558380851.db2.gz JGYICNKTQKHGIJ-GOSISDBHSA-N 1 1 406.530 3.880 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000012317522 558380853 /nfs/dbraw/zinc/38/08/53/558380853.db2.gz JGYICNKTQKHGIJ-GOSISDBHSA-N 1 1 406.530 3.880 50 0 HHAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000012386857 558395559 /nfs/dbraw/zinc/39/55/59/558395559.db2.gz XCJHJXYYRYMSOU-LJQANCHMSA-N 1 1 414.571 3.824 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(OCC)c(CO)c2)C1 ZINC000012472001 558421967 /nfs/dbraw/zinc/42/19/67/558421967.db2.gz QMAUMZAPPZLPJB-VWLOTQADSA-N 1 1 411.542 3.966 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)NCCc2ccccc2)C1 ZINC000012578207 558431897 /nfs/dbraw/zinc/43/18/97/558431897.db2.gz NMWAGPXBHSEBKE-JOCHJYFZSA-N 1 1 409.574 3.834 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000012579904 558432360 /nfs/dbraw/zinc/43/23/60/558432360.db2.gz SHOXPSHQGFYRFF-HXUWFJFHSA-N 1 1 423.557 3.962 50 0 HHAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000012595233 558437383 /nfs/dbraw/zinc/43/73/83/558437383.db2.gz KXTRGORDEHKOEB-SFHVURJKSA-N 1 1 410.493 3.928 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 ZINC000012612209 558438756 /nfs/dbraw/zinc/43/87/56/558438756.db2.gz ZAJVSQQCVRSNIM-IBGZPJMESA-N 1 1 402.432 3.991 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012744584 558457687 /nfs/dbraw/zinc/45/76/87/558457687.db2.gz OCIJXYCPLQMMRO-QFIPXVFZSA-N 1 1 406.505 3.807 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012744584 558457689 /nfs/dbraw/zinc/45/76/89/558457689.db2.gz OCIJXYCPLQMMRO-QFIPXVFZSA-N 1 1 406.505 3.807 50 0 HHAAMO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)C1 ZINC000022089055 558463232 /nfs/dbraw/zinc/46/32/32/558463232.db2.gz WLJIYGVHGCUBIC-UONOGXRCSA-N 1 1 407.605 3.558 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)C1 ZINC000022089055 558463233 /nfs/dbraw/zinc/46/32/33/558463233.db2.gz WLJIYGVHGCUBIC-UONOGXRCSA-N 1 1 407.605 3.558 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012789671 558464716 /nfs/dbraw/zinc/46/47/16/558464716.db2.gz WCQJEJRDWLPSDG-ZDUSSCGKSA-N 1 1 405.292 3.679 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012789671 558464719 /nfs/dbraw/zinc/46/47/19/558464719.db2.gz WCQJEJRDWLPSDG-ZDUSSCGKSA-N 1 1 405.292 3.679 50 0 HHAAMO Cc1csc(=O)n1CCCC(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000022295068 558476966 /nfs/dbraw/zinc/47/69/66/558476966.db2.gz GMTXABAODBIURD-ZIAGYGMSSA-N 1 1 408.593 3.572 50 0 HHAAMO C[NH+]1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860255 558517507 /nfs/dbraw/zinc/51/75/07/558517507.db2.gz UQZPLFLUUGHBOA-HXUWFJFHSA-N 1 1 409.357 3.708 50 0 HHAAMO CC(C)n1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361122 558552284 /nfs/dbraw/zinc/55/22/84/558552284.db2.gz XVZZYMNHLIPKHA-JOCHJYFZSA-N 1 1 401.986 3.904 50 0 HHAAMO CC(C)n1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361122 558552287 /nfs/dbraw/zinc/55/22/87/558552287.db2.gz XVZZYMNHLIPKHA-JOCHJYFZSA-N 1 1 401.986 3.904 50 0 HHAAMO CN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Cc1ccco1 ZINC000023864668 558578476 /nfs/dbraw/zinc/57/84/76/558578476.db2.gz QEZNTHIJTNWKND-UHFFFAOYSA-N 1 1 403.526 3.645 50 0 HHAAMO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024758274 558610857 /nfs/dbraw/zinc/61/08/57/558610857.db2.gz NEJWHZOAVVFDBU-IBGZPJMESA-N 1 1 405.473 3.865 50 0 HHAAMO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024758274 558610860 /nfs/dbraw/zinc/61/08/60/558610860.db2.gz NEJWHZOAVVFDBU-IBGZPJMESA-N 1 1 405.473 3.865 50 0 HHAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@@H](C)O1 ZINC000025407819 558640111 /nfs/dbraw/zinc/64/01/11/558640111.db2.gz DFBWYHBVLHHDFB-HZPDHXFCSA-N 1 1 405.539 3.651 50 0 HHAAMO CC(C)C[C@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[NH+]1CCOCC1 ZINC000026064943 558654660 /nfs/dbraw/zinc/65/46/60/558654660.db2.gz HGUOUNHSSJYHDO-LJQANCHMSA-N 1 1 405.539 3.510 50 0 HHAAMO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([N@@H+](C)Cc1ccsc1)CC2 ZINC000014748315 558670004 /nfs/dbraw/zinc/67/00/04/558670004.db2.gz LXDNIZHUYXJBMU-IBGZPJMESA-N 1 1 408.571 3.743 50 0 HHAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014954894 558681878 /nfs/dbraw/zinc/68/18/78/558681878.db2.gz MSPREXONPCFQPL-KRWDZBQOSA-N 1 1 407.518 3.544 50 0 HHAAMO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000027782459 558682280 /nfs/dbraw/zinc/68/22/80/558682280.db2.gz ZGMITKZJMMCSLQ-LLVKDONJSA-N 1 1 404.383 3.883 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000014961042 558684131 /nfs/dbraw/zinc/68/41/31/558684131.db2.gz IZBICCOGCANHEQ-KRWDZBQOSA-N 1 1 416.591 3.526 50 0 HHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000014962718 558684460 /nfs/dbraw/zinc/68/44/60/558684460.db2.gz FTGZGQVRWSCLCU-LJQANCHMSA-N 1 1 415.987 3.579 50 0 HHAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000014962718 558684462 /nfs/dbraw/zinc/68/44/62/558684462.db2.gz FTGZGQVRWSCLCU-LJQANCHMSA-N 1 1 415.987 3.579 50 0 HHAAMO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000028349642 558699483 /nfs/dbraw/zinc/69/94/83/558699483.db2.gz HBIHILGQENLYSC-GUMHCPJTSA-N 1 1 407.599 3.698 50 0 HHAAMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2OC)C1 ZINC000015067760 558710395 /nfs/dbraw/zinc/71/03/95/558710395.db2.gz VYSGSLXHQPPJMC-ZBWUASRJSA-N 1 1 424.541 3.624 50 0 HHAAMO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(O)c1 ZINC000015069024 558711446 /nfs/dbraw/zinc/71/14/46/558711446.db2.gz BSJXSQUXQJYHLW-XLIONFOSSA-N 1 1 410.543 3.528 50 0 HHAAMO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(O)c1 ZINC000015069024 558711450 /nfs/dbraw/zinc/71/14/50/558711450.db2.gz BSJXSQUXQJYHLW-XLIONFOSSA-N 1 1 410.543 3.528 50 0 HHAAMO C[N@@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCc2ccccc21 ZINC000029489091 558715809 /nfs/dbraw/zinc/71/58/09/558715809.db2.gz AIVOITKOGGOEDC-QGZVFWFLSA-N 1 1 417.303 3.778 50 0 HHAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000015078348 558717583 /nfs/dbraw/zinc/71/75/83/558717583.db2.gz WRZGLTKZVPPUAJ-PEAOBZDDSA-N 1 1 412.505 3.755 50 0 HHAAMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2ccccc2n1 ZINC000072289642 558722259 /nfs/dbraw/zinc/72/22/59/558722259.db2.gz RCPJXXDIBJHPEK-JOCHJYFZSA-N 1 1 419.573 3.649 50 0 HHAAMO O=S(=O)(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000029933590 558724262 /nfs/dbraw/zinc/72/42/62/558724262.db2.gz GDCMIVNPSIMIJM-UHFFFAOYSA-N 1 1 416.440 3.787 50 0 HHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000004556308 558725507 /nfs/dbraw/zinc/72/55/07/558725507.db2.gz RPMKWVKRDFMHHW-GOSISDBHSA-N 1 1 403.504 3.581 50 0 HHAAMO O=C(c1ccc[nH]c1=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180826 558727713 /nfs/dbraw/zinc/72/77/13/558727713.db2.gz OWPOJHQJXBOXSO-UHFFFAOYSA-N 1 1 413.930 3.715 50 0 HHAAMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955607 558747260 /nfs/dbraw/zinc/74/72/60/558747260.db2.gz NUXSNBFQAHEZPV-UHFFFAOYSA-N 1 1 420.513 3.664 50 0 HHAAMO COc1ccc(Cl)c(N2CC[NH+](CCCNC(=O)Nc3ccc(C)cc3)CC2)c1 ZINC000004058257 558780426 /nfs/dbraw/zinc/78/04/26/558780426.db2.gz FXEQPMSYJAWBQO-UHFFFAOYSA-N 1 1 416.953 3.991 50 0 HHAAMO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000016607471 558796606 /nfs/dbraw/zinc/79/66/06/558796606.db2.gz CGLQRUGQXIWEED-UHFFFAOYSA-N 1 1 404.869 3.736 50 0 HHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@@H](C)O2 ZINC000039354731 558820303 /nfs/dbraw/zinc/82/03/03/558820303.db2.gz XPTRGIZHCYWHAA-FQRUVTKNSA-N 1 1 422.569 3.940 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2c(F)c(F)cc(F)c2F)C[C@H](C)O1 ZINC000072312679 558838089 /nfs/dbraw/zinc/83/80/89/558838089.db2.gz 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CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063855453 558959658 /nfs/dbraw/zinc/95/96/58/558959658.db2.gz VFLIFDOOJMXPBY-MRXNPFEDSA-N 1 1 409.509 3.985 50 0 HHAAMO COc1cccc([C@]2(C[N@@H+](CCCn3ccnc3)Cc3ccncc3)CCOC2)c1 ZINC000063869950 558960257 /nfs/dbraw/zinc/96/02/57/558960257.db2.gz JURYNZMZYSFEDZ-DEOSSOPVSA-N 1 1 406.530 3.537 50 0 HHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063868710 558960275 /nfs/dbraw/zinc/96/02/75/558960275.db2.gz QCGZCGJMNUWYJS-MRXNPFEDSA-N 1 1 409.509 3.985 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000021916219 558972082 /nfs/dbraw/zinc/97/20/82/558972082.db2.gz LTVVAOLRVXYALX-UHFFFAOYSA-N 1 1 406.530 3.839 50 0 HHAAMO COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)c(C)o2)cc1C ZINC000067755354 558992303 /nfs/dbraw/zinc/99/23/03/558992303.db2.gz FAXBDCSMOVGXQQ-HXUWFJFHSA-N 1 1 413.562 3.820 50 0 HHAAMO COc1cc(C)c(-c2nc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)c(C)o2)cc1C ZINC000067755354 558992305 /nfs/dbraw/zinc/99/23/05/558992305.db2.gz FAXBDCSMOVGXQQ-HXUWFJFHSA-N 1 1 413.562 3.820 50 0 HHAAMO O=C(NCCc1nccs1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067856787 558993958 /nfs/dbraw/zinc/99/39/58/558993958.db2.gz GBZBRALDIVDFFT-UHFFFAOYSA-N 1 1 410.543 3.558 50 0 HHAAMO Cn1nccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](C)C2 ZINC000023128146 559016327 /nfs/dbraw/zinc/01/63/27/559016327.db2.gz DVICLMQCMNGWEK-UHFFFAOYSA-N 1 1 409.540 3.999 50 0 HHAAMO Cn1nccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](C)C2 ZINC000023128146 559016329 /nfs/dbraw/zinc/01/63/29/559016329.db2.gz DVICLMQCMNGWEK-UHFFFAOYSA-N 1 1 409.540 3.999 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)C(C)C)CC1 ZINC000023181687 559031440 /nfs/dbraw/zinc/03/14/40/559031440.db2.gz AGRGHJOZAUWQAS-UWJYYQICSA-N 1 1 401.576 3.781 50 0 HHAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CCC3CCCCC3)CC2)C1 ZINC000082108167 559038624 /nfs/dbraw/zinc/03/86/24/559038624.db2.gz HVAVMBBOKONSHE-QFIPXVFZSA-N 1 1 412.622 3.845 50 0 HHAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(CCC3CCCCC3)CC2)C1 ZINC000082108167 559038626 /nfs/dbraw/zinc/03/86/26/559038626.db2.gz HVAVMBBOKONSHE-QFIPXVFZSA-N 1 1 412.622 3.845 50 0 HHAAMO CCC1(CC)CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000082121759 559039478 /nfs/dbraw/zinc/03/94/78/559039478.db2.gz MYGOQSNTGYJCQJ-QFIPXVFZSA-N 1 1 412.622 3.797 50 0 HHAAMO CCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCC1 ZINC000082138815 559040707 /nfs/dbraw/zinc/04/07/07/559040707.db2.gz LZAGTCHOUVZYDA-JOCHJYFZSA-N 1 1 412.622 3.939 50 0 HHAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000023248520 559068206 /nfs/dbraw/zinc/06/82/06/559068206.db2.gz BLEKUNVHKHVEOJ-UHFFFAOYSA-N 1 1 416.547 3.767 50 0 HHAAMO OCCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CC[C@@H]1N1CCOCC1 ZINC000095380099 559080560 /nfs/dbraw/zinc/08/05/60/559080560.db2.gz HNSAMCRSRPXWMC-IRLDBZIGSA-N 1 1 400.588 3.710 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO ZINC000095522422 559085391 /nfs/dbraw/zinc/08/53/91/559085391.db2.gz MDIKGYXQBWMGSZ-QHCPKHFHSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO ZINC000095522422 559085393 /nfs/dbraw/zinc/08/53/93/559085393.db2.gz MDIKGYXQBWMGSZ-QHCPKHFHSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO ZINC000095522422 559085395 /nfs/dbraw/zinc/08/53/95/559085395.db2.gz MDIKGYXQBWMGSZ-QHCPKHFHSA-N 1 1 423.532 3.841 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)C[C@@H]1CCO ZINC000095522422 559085396 /nfs/dbraw/zinc/08/53/96/559085396.db2.gz MDIKGYXQBWMGSZ-QHCPKHFHSA-N 1 1 423.532 3.841 50 0 HHAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nn2)CC1 ZINC000004939855 559212365 /nfs/dbraw/zinc/21/23/65/559212365.db2.gz VBZSVLYBTNODRL-UHFFFAOYSA-N 1 1 407.905 3.801 50 0 HHAAMO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000005057797 559238132 /nfs/dbraw/zinc/23/81/32/559238132.db2.gz SREWELXVCFVELC-FNZLVXQQSA-N 1 1 411.590 3.626 50 0 HHAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn2)CC1 ZINC000005259421 560551087 /nfs/dbraw/zinc/55/10/87/560551087.db2.gz DHFAESNOBZFHSN-UHFFFAOYSA-N 1 1 407.905 3.801 50 0 HHAAMO COc1cccc([C@@H](CNc2ccccc2S(=O)(=O)C(F)(F)F)[NH+](C)C)c1 ZINC000046617486 560559669 /nfs/dbraw/zinc/55/96/69/560559669.db2.gz LBYPBXJARLZXNM-MRXNPFEDSA-N 1 1 402.438 3.704 50 0 HHAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000005483282 560596428 /nfs/dbraw/zinc/59/64/28/560596428.db2.gz YVUFEZLYZUOAFD-IQOKHDRSSA-N 1 1 405.498 3.582 50 0 HHAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000005489944 560597989 /nfs/dbraw/zinc/59/79/89/560597989.db2.gz NBGLNGIBYWBIPG-PKTZIBPZSA-N 1 1 409.449 3.894 50 0 HHAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1F ZINC000051317176 560857342 /nfs/dbraw/zinc/85/73/42/560857342.db2.gz PUYCXBDPWCBGBG-UHFFFAOYSA-N 1 1 410.449 3.735 50 0 HHAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](C)O)C(C)C)cc1 ZINC000105003418 560859379 /nfs/dbraw/zinc/85/93/79/560859379.db2.gz WIRUARKGSPHMEU-RXVVDRJESA-N 1 1 416.587 3.653 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012052583 560887916 /nfs/dbraw/zinc/88/79/16/560887916.db2.gz MHRHKCIPQQRAHL-QFIPXVFZSA-N 1 1 406.954 3.539 50 0 HHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000109346448 568421990 /nfs/dbraw/zinc/42/19/90/568421990.db2.gz YQZTZUGHNBPVCZ-UHFFFAOYSA-N 1 1 410.493 3.967 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCOc3cc(C)ccc3C)cc2)CC1 ZINC000048289845 568435077 /nfs/dbraw/zinc/43/50/77/568435077.db2.gz YOBPHKUNGFNAOB-UHFFFAOYSA-N 1 1 409.574 3.526 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)cc1I ZINC000048313440 568439193 /nfs/dbraw/zinc/43/91/93/568439193.db2.gz UQQDSYIILFBXDH-GFCCVEGCSA-N 1 1 420.722 3.939 50 0 HHAAMO CC(=O)Nc1nc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000048886705 568443507 /nfs/dbraw/zinc/44/35/07/568443507.db2.gz AWZXQLQOZTWDSH-GASCZTMLSA-N 1 1 400.548 3.509 50 0 HHAAMO CC(=O)Nc1cc2ccccc2cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000049632628 568452722 /nfs/dbraw/zinc/45/27/22/568452722.db2.gz JYQQFTHCDCMFIL-UHFFFAOYSA-N 1 1 409.530 3.563 50 0 HHAAMO COc1ccccc1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1cccs1 ZINC000020107827 568588483 /nfs/dbraw/zinc/58/84/83/568588483.db2.gz PFTRCTVHIZLNNG-UHFFFAOYSA-N 1 1 418.632 3.593 50 0 HHAAMO Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc1S2 ZINC000020178939 568593018 /nfs/dbraw/zinc/59/30/18/568593018.db2.gz NIVLACLCCNTJGE-UHFFFAOYSA-N 1 1 422.598 3.968 50 0 HHAAMO C[C@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288519 568597977 /nfs/dbraw/zinc/59/79/77/568597977.db2.gz WZLKIBZOHNCCPE-AVRDEDQJSA-N 1 1 406.555 3.825 50 0 HHAAMO C[C@H](C(=O)NCCC1=CCCCC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095349094 568600445 /nfs/dbraw/zinc/60/04/45/568600445.db2.gz PZZDBGDZRCCEER-HXUWFJFHSA-N 1 1 406.574 3.748 50 0 HHAAMO CCN1CCN(c2cc(C[NH2+][C@H](C)c3ccc(Br)cc3)ccn2)CC1 ZINC000095407532 568606265 /nfs/dbraw/zinc/60/62/65/568606265.db2.gz CUWYQBCWIDQGFL-MRXNPFEDSA-N 1 1 403.368 3.837 50 0 HHAAMO CCCC[N@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000020467812 568610641 /nfs/dbraw/zinc/61/06/41/568610641.db2.gz JLHFHSPNPGDYAV-UHFFFAOYSA-N 1 1 406.939 3.725 50 0 HHAAMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)C2)CC1 ZINC000095454964 568616622 /nfs/dbraw/zinc/61/66/22/568616622.db2.gz PJLNSLAJSFHIIL-LJQANCHMSA-N 1 1 420.001 3.574 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C)cc2C(C)(C)C)CC1 ZINC000020807286 568644076 /nfs/dbraw/zinc/64/40/76/568644076.db2.gz HHQANAICXIDAJO-HXUWFJFHSA-N 1 1 412.574 3.863 50 0 HHAAMO C[N@@H+](CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C1CC1)C1CC1 ZINC000225571890 568652548 /nfs/dbraw/zinc/65/25/48/568652548.db2.gz GOPOCLOLWSASJE-UHFFFAOYSA-N 1 1 424.520 3.575 50 0 HHAAMO C[N@@H+](CCCNC(=O)C1=Cc2cc(Br)ccc2OC1)Cc1ccccc1 ZINC000021095807 568665047 /nfs/dbraw/zinc/66/50/47/568665047.db2.gz FQIAYVQUNMWLMA-UHFFFAOYSA-N 1 1 415.331 3.863 50 0 HHAAMO CCC[NH+]1CCN(C(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000021153359 568672944 /nfs/dbraw/zinc/67/29/44/568672944.db2.gz ATKQIFHDIBVVPP-UHFFFAOYSA-N 1 1 404.536 3.630 50 0 HHAAMO O=C1C[C@@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccc(Cl)cc1 ZINC000021171650 568676541 /nfs/dbraw/zinc/67/65/41/568676541.db2.gz CCVDJDJGVMHHNU-QGZVFWFLSA-N 1 1 424.932 3.542 50 0 HHAAMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000229848051 568715443 /nfs/dbraw/zinc/71/54/43/568715443.db2.gz JXZWVEUXGSBXNL-AZUAARDMSA-N 1 1 411.594 3.770 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420311 568720522 /nfs/dbraw/zinc/72/05/22/568720522.db2.gz ZQODDIMANSGQIW-MBNYWOFBSA-N 1 1 421.173 3.929 50 0 HHAAMO COc1ccc(C2(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CCOCC2)cc1 ZINC000239359539 568729019 /nfs/dbraw/zinc/72/90/19/568729019.db2.gz AEPYNSXQVWGSTG-QFIPXVFZSA-N 1 1 400.563 3.657 50 0 HHAAMO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@](C)(CO)c3cccc(O)c3)cc2)cc1 ZINC000241383304 568731338 /nfs/dbraw/zinc/73/13/38/568731338.db2.gz MUDAGQMRHGJERK-QHCPKHFHSA-N 1 1 411.523 3.531 50 0 HHAAMO COc1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)cc1OC ZINC000096363809 568739579 /nfs/dbraw/zinc/73/95/79/568739579.db2.gz IQWOGUTVACXSAR-UHFFFAOYSA-N 1 1 415.515 3.640 50 0 HHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)[nH+]1 ZINC000021794474 568753437 /nfs/dbraw/zinc/75/34/37/568753437.db2.gz XOQCXQYQVHYKHE-UHFFFAOYSA-N 1 1 407.449 3.757 50 0 HHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460519 568768364 /nfs/dbraw/zinc/76/83/64/568768364.db2.gz GKAZMXGMTVNCOJ-BEFAXECRSA-N 1 1 406.596 3.941 50 0 HHAAMO CCOc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000022460159 568768564 /nfs/dbraw/zinc/76/85/64/568768564.db2.gz YAMIJFKDDSLKMU-DYESRHJHSA-N 1 1 401.576 3.644 50 0 HHAAMO COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015226438 568820752 /nfs/dbraw/zinc/82/07/52/568820752.db2.gz LABZWWWMQLLZNQ-GASCZTMLSA-N 1 1 402.516 3.640 50 0 HHAAMO COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015226438 568820753 /nfs/dbraw/zinc/82/07/53/568820753.db2.gz LABZWWWMQLLZNQ-GASCZTMLSA-N 1 1 402.516 3.640 50 0 HHAAMO Cc1ccc(Oc2ccc(NC(=O)CN3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000025606558 568823886 /nfs/dbraw/zinc/82/38/86/568823886.db2.gz KCMSHIBUXDCXDK-HSZRJFAPSA-N 1 1 409.530 3.522 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230209444 568854880 /nfs/dbraw/zinc/85/48/80/568854880.db2.gz LRAADKDNNOIIOU-VWNXMTODSA-N 1 1 408.590 3.862 50 0 biogenic HHAAMO NC(=O)C1CC[NH+]([C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000057607735 568855047 /nfs/dbraw/zinc/85/50/47/568855047.db2.gz NVZIBXRRXRBQRP-GOSISDBHSA-N 1 1 405.420 3.583 50 0 HHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000003351063 568856662 /nfs/dbraw/zinc/85/66/62/568856662.db2.gz HCEFMAPEDPHCHW-INIZCTEOSA-N 1 1 406.857 3.940 50 0 HHAAMO COc1ccc(NC(=S)NCC[NH+]2CCN(c3ccc(Cl)cc3C)CC2)cc1 ZINC000058021427 568877906 /nfs/dbraw/zinc/87/79/06/568877906.db2.gz PWAJJTHNOQRMBI-UHFFFAOYSA-N 1 1 418.994 3.766 50 0 HHAAMO Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)nn1 ZINC000248115091 568950172 /nfs/dbraw/zinc/95/01/72/568950172.db2.gz UYAZVZQXNBLBRO-RTWAWAEBSA-N 1 1 421.589 3.659 50 0 HHAAMO COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(OC)c1OC ZINC000012785252 568959673 /nfs/dbraw/zinc/95/96/73/568959673.db2.gz FYPGUBFFUYIJFV-GOSISDBHSA-N 1 1 418.921 3.933 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000007988218 568965650 /nfs/dbraw/zinc/96/56/50/568965650.db2.gz JXTRJVPAFJZYDD-HXUWFJFHSA-N 1 1 406.482 3.759 50 0 HHAAMO C[N@@H+](CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773974 568998889 /nfs/dbraw/zinc/99/88/89/568998889.db2.gz FGLMFURLORRNFI-DEOSSOPVSA-N 1 1 413.521 3.506 50 0 HHAAMO Cc1cc(Cl)c(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000020167361 569007998 /nfs/dbraw/zinc/00/79/98/569007998.db2.gz QJTBMVAPMZROQY-ZIAGYGMSSA-N 1 1 406.748 3.916 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3csc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C ZINC000104440342 569008630 /nfs/dbraw/zinc/00/86/30/569008630.db2.gz MANPCYPOKUZIRQ-OAQYLSRUSA-N 1 1 416.587 3.645 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3csc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C ZINC000104440342 569008631 /nfs/dbraw/zinc/00/86/31/569008631.db2.gz MANPCYPOKUZIRQ-OAQYLSRUSA-N 1 1 416.587 3.645 50 0 HHAAMO Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1C ZINC000012857805 569011205 /nfs/dbraw/zinc/01/12/05/569011205.db2.gz KSHOWCMSFVCWRT-UHFFFAOYSA-N 1 1 416.587 3.539 50 0 HHAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012871556 569013320 /nfs/dbraw/zinc/01/33/20/569013320.db2.gz MQMQVRDGZSWXRB-OAHLLOKOSA-N 1 1 422.451 3.648 50 0 HHAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012871556 569013321 /nfs/dbraw/zinc/01/33/21/569013321.db2.gz MQMQVRDGZSWXRB-OAHLLOKOSA-N 1 1 422.451 3.648 50 0 HHAAMO C[N@@H+](CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCCCC1 ZINC000015868570 569017391 /nfs/dbraw/zinc/01/73/91/569017391.db2.gz GOQGJNMOOAWSFS-UHFFFAOYSA-N 1 1 424.589 3.791 50 0 HHAAMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000012931600 569024787 /nfs/dbraw/zinc/02/47/87/569024787.db2.gz OCRXGXSWYUTLMH-UHFFFAOYSA-N 1 1 402.560 3.517 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000012931600 569024788 /nfs/dbraw/zinc/02/47/88/569024788.db2.gz OCRXGXSWYUTLMH-UHFFFAOYSA-N 1 1 402.560 3.517 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C(CO)CO)C1 ZINC000229400587 569040421 /nfs/dbraw/zinc/04/04/21/569040421.db2.gz PFQYJDOUAYRYKT-QRWLVFNGSA-N 1 1 423.340 3.596 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C(CO)CO)C1 ZINC000229400587 569040422 /nfs/dbraw/zinc/04/04/22/569040422.db2.gz PFQYJDOUAYRYKT-QRWLVFNGSA-N 1 1 423.340 3.596 50 0 HHAAMO C[N@@H+](CCCNC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1)C1CCCCC1 ZINC000035505269 569040856 /nfs/dbraw/zinc/04/08/56/569040856.db2.gz MGKOTXBZVZOZCM-KRWDZBQOSA-N 1 1 415.607 3.679 50 0 HHAAMO COc1cccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1OC(F)F ZINC000040013018 569047945 /nfs/dbraw/zinc/04/79/45/569047945.db2.gz BSUVPYGAVYPETB-DXRVJIQQSA-N 1 1 402.441 3.825 50 0 HHAAMO COc1cccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1OC(F)F ZINC000040013018 569047946 /nfs/dbraw/zinc/04/79/46/569047946.db2.gz BSUVPYGAVYPETB-DXRVJIQQSA-N 1 1 402.441 3.825 50 0 HHAAMO CC1(C)CC(N=Nc2ncnc3sc4c(c32)CCCC4)=CC([NH+]2CCOCC2)C1 ZINC000252601420 569060742 /nfs/dbraw/zinc/06/07/42/569060742.db2.gz FAIVIJNUCDWTCO-UHFFFAOYSA-N 1 1 411.575 4.374 50 0 HHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648175 569073645 /nfs/dbraw/zinc/07/36/45/569073645.db2.gz RPOGEBDWDQUXDG-NRFANRHFSA-N 1 1 406.933 3.672 50 0 HHAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648175 569073646 /nfs/dbraw/zinc/07/36/46/569073646.db2.gz RPOGEBDWDQUXDG-NRFANRHFSA-N 1 1 406.933 3.672 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648175 569073647 /nfs/dbraw/zinc/07/36/47/569073647.db2.gz RPOGEBDWDQUXDG-NRFANRHFSA-N 1 1 406.933 3.672 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991689 569074688 /nfs/dbraw/zinc/07/46/88/569074688.db2.gz OGTBXJRAJIBSCL-QFIPXVFZSA-N 1 1 407.514 3.640 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991689 569074689 /nfs/dbraw/zinc/07/46/89/569074689.db2.gz OGTBXJRAJIBSCL-QFIPXVFZSA-N 1 1 407.514 3.640 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1CC ZINC000036007422 569076184 /nfs/dbraw/zinc/07/61/84/569076184.db2.gz CSWRRAGLJKEZNX-AZUAARDMSA-N 1 1 415.534 3.521 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1CC ZINC000036007422 569076185 /nfs/dbraw/zinc/07/61/85/569076185.db2.gz CSWRRAGLJKEZNX-AZUAARDMSA-N 1 1 415.534 3.521 50 0 HHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103948 569092305 /nfs/dbraw/zinc/09/23/05/569092305.db2.gz RDYXOTFASOXZCO-NRFANRHFSA-N 1 1 413.514 3.739 50 0 HHAAMO Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccco1 ZINC000036104609 569092661 /nfs/dbraw/zinc/09/26/61/569092661.db2.gz DHEIQJVSNBDESW-NRFANRHFSA-N 1 1 409.482 3.897 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145975 569098594 /nfs/dbraw/zinc/09/85/94/569098594.db2.gz QTKJEPAJRPVJCC-SFTDATJTSA-N 1 1 402.922 3.733 50 0 HHAAMO Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCC[NH+]1CCOCC1)CO2 ZINC000006755051 569111919 /nfs/dbraw/zinc/11/19/19/569111919.db2.gz RGEWSEJSCMJLIO-UHFFFAOYSA-N 1 1 420.509 3.643 50 0 biogenic HHAAMO O=C(Nc1ccc(F)cc1)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036310763 569131957 /nfs/dbraw/zinc/13/19/57/569131957.db2.gz SCAVFGYJKNBBHE-OAQYLSRUSA-N 1 1 416.541 3.547 50 0 HHAAMO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)ccc21 ZINC000065026998 569155865 /nfs/dbraw/zinc/15/58/65/569155865.db2.gz OEYNHAXOTFKXNN-SFHVURJKSA-N 1 1 405.542 3.867 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875221 569162056 /nfs/dbraw/zinc/16/20/56/569162056.db2.gz AOXTZJPERMEUKV-LEWJYISDSA-N 1 1 413.587 3.897 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875480 569163062 /nfs/dbraw/zinc/16/30/62/569163062.db2.gz WAZDEYWLRCMYRY-MAODMQOUSA-N 1 1 411.571 3.649 50 0 HHAAMO CCOCCCNC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000006877458 569164343 /nfs/dbraw/zinc/16/43/43/569164343.db2.gz HHIRBKULJVWRKA-MRXNPFEDSA-N 1 1 404.580 3.704 50 0 HHAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3C(=O)CSc4ccccc43)cc2)C1 ZINC000036390941 569166618 /nfs/dbraw/zinc/16/66/18/569166618.db2.gz KKKUBGVROLMNTJ-SFHVURJKSA-N 1 1 423.582 3.674 50 0 HHAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)N1CCc2ccccc21 ZINC000006881741 569168194 /nfs/dbraw/zinc/16/81/94/569168194.db2.gz JVKPCQORNWJVST-UHFFFAOYSA-N 1 1 424.570 3.506 50 0 HHAAMO OCC[C@H]1CCCC[N@H+]1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006940171 569185550 /nfs/dbraw/zinc/18/55/50/569185550.db2.gz DZYHFIDFXUNEFW-FGZHOGPDSA-N 1 1 405.485 3.669 50 0 HHAAMO CC(C)N1c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2Sc2ncccc2C1=O ZINC000065241446 569204142 /nfs/dbraw/zinc/20/41/42/569204142.db2.gz ZAFCKHKFKPAUPE-UHFFFAOYSA-N 1 1 424.570 3.768 50 0 HHAAMO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000007268009 569231129 /nfs/dbraw/zinc/23/11/29/569231129.db2.gz NNGYCUQEBMQCGK-CQSZACIVSA-N 1 1 407.308 3.796 50 0 HHAAMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000007268009 569231130 /nfs/dbraw/zinc/23/11/30/569231130.db2.gz NNGYCUQEBMQCGK-CQSZACIVSA-N 1 1 407.308 3.796 50 0 HHAAMO CC(C)C[N@@H+](CC(=O)NC1CCOCC1)C(C)(C)c1ccc(Br)cc1 ZINC000170601221 569243270 /nfs/dbraw/zinc/24/32/70/569243270.db2.gz ACRBFZLDPNHVSI-UHFFFAOYSA-N 1 1 411.384 3.937 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4F)CC3)n2)cc1 ZINC000017012591 569271509 /nfs/dbraw/zinc/27/15/09/569271509.db2.gz BUJIADQFPKBYJR-UHFFFAOYSA-N 1 1 421.476 3.639 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000252477045 569288568 /nfs/dbraw/zinc/28/85/68/569288568.db2.gz HFSUCFZKYLYZFV-MDASCCDHSA-N 1 1 402.926 3.850 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000252477045 569288570 /nfs/dbraw/zinc/28/85/70/569288570.db2.gz HFSUCFZKYLYZFV-MDASCCDHSA-N 1 1 402.926 3.850 50 0 HHAAMO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000027302006 569293305 /nfs/dbraw/zinc/29/33/05/569293305.db2.gz DTIFQVCNKCJITE-MRXNPFEDSA-N 1 1 421.463 3.852 50 0 HHAAMO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000027302006 569293307 /nfs/dbraw/zinc/29/33/07/569293307.db2.gz DTIFQVCNKCJITE-MRXNPFEDSA-N 1 1 421.463 3.852 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000027364226 569296659 /nfs/dbraw/zinc/29/66/59/569296659.db2.gz DCVVBJUCXPMMCJ-XMMPIXPASA-N 1 1 416.525 3.503 50 0 HHAAMO C[N@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)Cc1ccc2c(c1)OCO2 ZINC000007805189 569311771 /nfs/dbraw/zinc/31/17/71/569311771.db2.gz JATWBYZQSTVWMK-KRWDZBQOSA-N 1 1 423.538 3.863 50 0 HHAAMO C[N@@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)Cc1ccc2c(c1)OCO2 ZINC000007805189 569311773 /nfs/dbraw/zinc/31/17/73/569311773.db2.gz JATWBYZQSTVWMK-KRWDZBQOSA-N 1 1 423.538 3.863 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@@H]1CCOc2ccccc21 ZINC000195531978 569312047 /nfs/dbraw/zinc/31/20/47/569312047.db2.gz PFMVLVPFXJNEQA-UXHICEINSA-N 1 1 408.498 3.625 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@@H]1CCOc2ccccc21 ZINC000195531978 569312049 /nfs/dbraw/zinc/31/20/49/569312049.db2.gz PFMVLVPFXJNEQA-UXHICEINSA-N 1 1 408.498 3.625 50 0 HHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[N@H+](C)Cc2cccs2)ccc1C ZINC000007845885 569314290 /nfs/dbraw/zinc/31/42/90/569314290.db2.gz LYNOGBAVVSJYJB-INIZCTEOSA-N 1 1 423.604 3.546 50 0 HHAAMO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccs2)ccc1C ZINC000007845885 569314291 /nfs/dbraw/zinc/31/42/91/569314291.db2.gz LYNOGBAVVSJYJB-INIZCTEOSA-N 1 1 423.604 3.546 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002234547 569320569 /nfs/dbraw/zinc/32/05/69/569320569.db2.gz GXQMSWKNMKTJBC-GASCZTMLSA-N 1 1 401.507 3.660 50 0 HHAAMO C[NH+]1CCN(c2cccc(C=[NH+][N-]c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 ZINC000004991945 569366458 /nfs/dbraw/zinc/36/64/58/569366458.db2.gz LOUPAZMUYIHTTG-DEDYPNTBSA-N 1 1 418.295 3.555 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000002325820 569375371 /nfs/dbraw/zinc/37/53/71/569375371.db2.gz JRYJPEHYWQAAEV-UHFFFAOYSA-N 1 1 421.497 3.740 50 0 HHAAMO CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000253486858 569381721 /nfs/dbraw/zinc/38/17/21/569381721.db2.gz AGLNKEZIHIEECV-JJEOQYAHSA-N 1 1 407.558 3.994 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055226540 569395040 /nfs/dbraw/zinc/39/50/40/569395040.db2.gz BUMLRLBDPOEDHE-HXUWFJFHSA-N 1 1 413.905 3.609 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000225420991 569395793 /nfs/dbraw/zinc/39/57/93/569395793.db2.gz LRAADKDNNOIIOU-ISKFKSNPSA-N 1 1 408.590 3.862 50 0 biogenic HHAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2cccc(C)c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000002415993 569397345 /nfs/dbraw/zinc/39/73/45/569397345.db2.gz RUNLAQTYSRBADQ-UHFFFAOYSA-N 1 1 416.525 3.850 50 0 HHAAMO CC[NH+](CC)CCOc1ccccc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000078903166 569421575 /nfs/dbraw/zinc/42/15/75/569421575.db2.gz GUMYGQOZXXCVPF-UHFFFAOYSA-N 1 1 424.589 3.558 50 0 HHAAMO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000008901422 571144757 /nfs/dbraw/zinc/14/47/57/571144757.db2.gz MCUZQUDCZSUABZ-KRWDZBQOSA-N 1 1 400.516 3.922 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000040131308 571183555 /nfs/dbraw/zinc/18/35/55/571183555.db2.gz DHXXBCLGCAPLMM-RUZDIDTESA-N 1 1 416.521 3.955 50 0 HHAAMO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1C ZINC000009586396 571271389 /nfs/dbraw/zinc/27/13/89/571271389.db2.gz WNOXERXWMHINAB-HXUWFJFHSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1C ZINC000009586396 571271391 /nfs/dbraw/zinc/27/13/91/571271391.db2.gz WNOXERXWMHINAB-HXUWFJFHSA-N 1 1 423.513 3.950 50 0 HHAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000020512953 571314635 /nfs/dbraw/zinc/31/46/35/571314635.db2.gz ZZKQJUKBPXSOSS-QLVMHMETSA-N 1 1 415.415 3.976 50 0 HHAAMO COc1ccccc1[C@@H]1[C@@H]2C[N@@H+](Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033335970 571316239 /nfs/dbraw/zinc/31/62/39/571316239.db2.gz YOBAKVZRCNETJJ-ISKFKSNPSA-N 1 1 421.504 3.621 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011841543 962200447 /nfs/dbraw/zinc/20/04/47/962200447.db2.gz MQNXGIKAHITOPP-OAQYLSRUSA-N 1 1 414.569 3.522 50 0 HHAAMO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C3)c1 ZINC000011995946 962220993 /nfs/dbraw/zinc/22/09/93/962220993.db2.gz LWHZBPGVISUMPF-CVDCTZTESA-N 1 1 424.516 3.908 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cccc(-n3cccn3)c2)c(OC)c1 ZINC000012306588 962269284 /nfs/dbraw/zinc/26/92/84/962269284.db2.gz AQNRILWSWLJIQR-UHFFFAOYSA-N 1 1 403.486 3.912 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012373193 962273917 /nfs/dbraw/zinc/27/39/17/962273917.db2.gz NYBDCEWUCXHPMD-DEOSSOPVSA-N 1 1 400.611 3.864 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000012447104 962280607 /nfs/dbraw/zinc/28/06/07/962280607.db2.gz 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O=C(c1ncoc1C1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012458015 962284158 /nfs/dbraw/zinc/28/41/58/962284158.db2.gz ILPIETSFYISEFB-QFIPXVFZSA-N 1 1 401.457 3.959 50 0 HHAAMO O=C(c1ncoc1C1CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012458015 962284170 /nfs/dbraw/zinc/28/41/70/962284170.db2.gz ILPIETSFYISEFB-QFIPXVFZSA-N 1 1 401.457 3.959 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000012577903 962296235 /nfs/dbraw/zinc/29/62/35/962296235.db2.gz YMYFCRZLUJSJGX-FQEVSTJZSA-N 1 1 405.970 3.573 50 0 HHAAMO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012577907 962296374 /nfs/dbraw/zinc/29/63/74/962296374.db2.gz HVQDQGOLDTVFMF-NRFANRHFSA-N 1 1 420.532 3.972 50 0 HHAAMO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)CCc1ccccn1)C2 ZINC000014535017 962524963 /nfs/dbraw/zinc/52/49/63/962524963.db2.gz RJPNDOYIAIJCBS-OAQYLSRUSA-N 1 1 423.605 3.736 50 0 HHAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000014741612 962566502 /nfs/dbraw/zinc/56/65/02/962566502.db2.gz BLMVWKQXQZGSPX-GOSISDBHSA-N 1 1 400.592 3.970 50 0 HHAAMO CN1CCC([N@@H+](C)Cc2cccc(OC[C@@H]3CCCN(C(=O)C4CCC4)C3)c2)CC1 ZINC000014994832 962621596 /nfs/dbraw/zinc/62/15/96/962621596.db2.gz NLFFEDKZIDTECK-OAQYLSRUSA-N 1 1 413.606 3.630 50 0 HHAAMO CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)C3CCC3)C2)c1)C1CC[NH+](C)CC1 ZINC000014994832 962621607 /nfs/dbraw/zinc/62/16/07/962621607.db2.gz NLFFEDKZIDTECK-OAQYLSRUSA-N 1 1 413.606 3.630 50 0 HHAAMO C[N@H+](Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)c1)Cc1ccncn1 ZINC000019143634 963350150 /nfs/dbraw/zinc/35/01/50/963350150.db2.gz FDWZCNPMOKEDNF-UHFFFAOYSA-N 1 1 401.445 3.665 50 0 HHAAMO C[N@@H+](Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)c1)Cc1ccncn1 ZINC000019143634 963350162 /nfs/dbraw/zinc/35/01/62/963350162.db2.gz FDWZCNPMOKEDNF-UHFFFAOYSA-N 1 1 401.445 3.665 50 0 HHAAMO C[N@H+](Cc1ccccc1)C1(CNCc2cccc(OCCO)c2)Cc2ccccc2C1 ZINC000019221069 963357382 /nfs/dbraw/zinc/35/73/82/963357382.db2.gz 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c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000022892535 963735046 /nfs/dbraw/zinc/73/50/46/963735046.db2.gz IKZCRIPTDBJGOX-UHFFFAOYSA-N 1 1 418.541 3.946 50 0 HHAAMO O=C1CC[C@H]([NH+]2CCN(C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1F ZINC000023359048 963806999 /nfs/dbraw/zinc/80/69/99/963806999.db2.gz SNBDJDAOXPDRLC-NRFANRHFSA-N 1 1 405.533 3.796 50 0 HHAAMO c1ccc(CCC[N@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000023359075 963807151 /nfs/dbraw/zinc/80/71/51/963807151.db2.gz GAAXCNYMVQFBCH-XMMPIXPASA-N 1 1 421.585 3.630 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000023373545 963810937 /nfs/dbraw/zinc/81/09/37/963810937.db2.gz XQXQNWZVUHJGFH-IBGZPJMESA-N 1 1 408.546 3.719 50 0 HHAAMO CCc1noc(C)c1C(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055343302 965823338 /nfs/dbraw/zinc/82/33/38/965823338.db2.gz HUIHQQAWHKTCOU-LJQANCHMSA-N 1 1 416.953 3.626 50 0 HHAAMO CC(C)c1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000035959796 966424198 /nfs/dbraw/zinc/42/41/98/966424198.db2.gz VVSMKIKXHIFJAM-JOCHJYFZSA-N 1 1 405.542 3.507 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000039509982 966495358 /nfs/dbraw/zinc/49/53/58/966495358.db2.gz AAEKLLNHPOWZGU-WOJBJXKFSA-N 1 1 419.997 3.802 50 0 HHAAMO CCn1cc(-c2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)c3cccc(C)c3n2)cn1 ZINC000063882041 966986727 /nfs/dbraw/zinc/98/67/27/966986727.db2.gz OEYDLHGFJVSADV-LJQANCHMSA-N 1 1 403.530 3.737 50 0 HHAAMO Cc1oc2c(c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CN(Cc1cccc(F)c1)CC2 ZINC000169750497 970468282 /nfs/dbraw/zinc/46/82/82/970468282.db2.gz OFHVAAPHTISKJI-QGZVFWFLSA-N 1 1 413.537 3.747 50 0 HHAAMO COc1ccc(C(=O)N2CCC([N@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000169787010 970481947 /nfs/dbraw/zinc/48/19/47/970481947.db2.gz XBCMGJOQYOUFEN-NRFANRHFSA-N 1 1 413.562 3.509 50 0 HHAAMO O=S(=O)(c1c[nH]cn1)N1CCC([N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000169791402 970482970 /nfs/dbraw/zinc/48/29/70/970482970.db2.gz DTZBZXKXBOWDGR-OAQYLSRUSA-N 1 1 414.575 3.570 50 0 HHAAMO CC(C)C[N@H+]1CC[C@]2(CO)CN(C(=O)c3ccccc3COc3ccccc3)C[C@@H]2C1 ZINC000257174418 970615591 /nfs/dbraw/zinc/61/55/91/970615591.db2.gz GRKMZOWOIVVYKR-BKMJKUGQSA-N 1 1 422.569 3.678 50 0 HHAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)[C@H](O)CCCCCN4C)CC2)cc1 ZINC000257180017 970618788 /nfs/dbraw/zinc/61/87/88/970618788.db2.gz JYUNKRGTSFUUDM-RUZDIDTESA-N 1 1 421.585 3.997 50 0 HHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000009192253 132337100 /nfs/dbraw/zinc/33/71/00/132337100.db2.gz AADVQVPUYRRSPL-UHFFFAOYSA-N 1 1 403.910 3.751 50 0 HHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000009573242 132341147 /nfs/dbraw/zinc/34/11/47/132341147.db2.gz KROMLNZQJGEMOX-UHFFFAOYSA-N 1 1 401.514 3.728 50 0 HHAAMO CC(=O)N1CCC([N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000020586784 519511415 /nfs/dbraw/zinc/51/14/15/519511415.db2.gz LJYRHOWTJXDMTI-JOCHJYFZSA-N 1 1 422.529 3.678 50 0 HHAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000020600931 520457808 /nfs/dbraw/zinc/45/78/08/520457808.db2.gz DVXXIZFRYZMWFI-UHFFFAOYSA-N 1 1 417.575 3.824 50 0 HHAAMO CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000045271037 521678898 /nfs/dbraw/zinc/67/88/98/521678898.db2.gz AEXCLAVAFSFAHT-SFHVURJKSA-N 1 1 411.015 3.594 50 0 HHAAMO COc1ccc(Br)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000032399445 523477572 /nfs/dbraw/zinc/47/75/72/523477572.db2.gz PLVLIAXCQYOLEQ-UHFFFAOYSA-N 1 1 403.320 3.636 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccccc1Cl ZINC000032930748 524115351 /nfs/dbraw/zinc/11/53/51/524115351.db2.gz WIWOWBWOIGCIAR-QGZVFWFLSA-N 1 1 413.949 3.761 50 0 HHAAMO COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2cc[nH+]c2C)cc1OC ZINC000030696891 525406378 /nfs/dbraw/zinc/40/63/78/525406378.db2.gz GIQDRQNDVYMNIX-QGZVFWFLSA-N 1 1 410.499 3.648 50 0 HHAAMO O=C(NCc1cccc(Cl)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930061 526714251 /nfs/dbraw/zinc/71/42/51/526714251.db2.gz RIDXKLCVKVLHGU-UHFFFAOYSA-N 1 1 410.905 3.918 50 0 HHAAMO Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CC[N@@H+](CC1CC1)C2 ZINC000071890372 557314895 /nfs/dbraw/zinc/31/48/95/557314895.db2.gz LDDKDVAIJHJTCT-UHFFFAOYSA-N 1 1 405.477 3.735 50 0 HHAAMO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)Cc4ccccc4)cn3)CC2)cc1 ZINC000034667914 557361356 /nfs/dbraw/zinc/36/13/56/557361356.db2.gz JPHCXJIXRCKICX-UHFFFAOYSA-N 1 1 416.525 3.594 50 0 HHAAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1 ZINC000034740488 557443809 /nfs/dbraw/zinc/44/38/09/557443809.db2.gz VTNILQFEDOEAIB-NZQKXSOJSA-N 1 1 415.553 3.511 50 0 HHAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc3c(c2)OCO3)CC1 ZINC000034855029 557476527 /nfs/dbraw/zinc/47/65/27/557476527.db2.gz OBVGRTBEIZOLFO-IBGZPJMESA-N 1 1 405.498 3.583 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004594145 557570788 /nfs/dbraw/zinc/57/07/88/557570788.db2.gz RONKPWXRKIXARG-IBGZPJMESA-N 1 1 401.869 3.688 50 0 HHAAMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011706258 558270776 /nfs/dbraw/zinc/27/07/76/558270776.db2.gz PRLKWGCKHYEYAG-HSZRJFAPSA-N 1 1 409.574 3.925 50 0 HHAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000011704784 558270815 /nfs/dbraw/zinc/27/08/15/558270815.db2.gz OJBGQDBVLRNHQS-FQEVSTJZSA-N 1 1 412.603 3.518 50 0 HHAAMO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000011789702 558277188 /nfs/dbraw/zinc/27/71/88/558277188.db2.gz IGQVLXGDVLGBOG-QGZVFWFLSA-N 1 1 412.921 3.896 50 0 HHAAMO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000011816591 558280153 /nfs/dbraw/zinc/28/01/53/558280153.db2.gz VKIBGELTYFWWSI-UHFFFAOYSA-N 1 1 416.468 3.909 50 0 HHAAMO COc1cccc(C[NH+]2CCN(Cc3ccc(OC)c(Br)c3)CC2)c1 ZINC000019781908 558281479 /nfs/dbraw/zinc/28/14/79/558281479.db2.gz LWYXKNHZAMEKFO-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@H+]1CCc1ccccc1 ZINC000019792503 558283316 /nfs/dbraw/zinc/28/33/16/558283316.db2.gz LSHMMYOHQJABAR-QFIPXVFZSA-N 1 1 407.583 3.921 50 0 HHAAMO Cc1c(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792880 558283582 /nfs/dbraw/zinc/28/35/82/558283582.db2.gz ROGAGCPNPOPAMI-HSZRJFAPSA-N 1 1 404.558 3.581 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@@H](N(C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792880 558283585 /nfs/dbraw/zinc/28/35/85/558283585.db2.gz ROGAGCPNPOPAMI-HSZRJFAPSA-N 1 1 404.558 3.581 50 0 HHAAMO Cc1c(C[N@@H+]2CCC[C@@H](N(C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792880 558283589 /nfs/dbraw/zinc/28/35/89/558283589.db2.gz ROGAGCPNPOPAMI-HSZRJFAPSA-N 1 1 404.558 3.581 50 0 HHAAMO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 ZINC000019890202 558302991 /nfs/dbraw/zinc/30/29/91/558302991.db2.gz YMNVHLZRYCNJKN-HSZRJFAPSA-N 1 1 422.525 3.681 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000019909297 558306187 /nfs/dbraw/zinc/30/61/87/558306187.db2.gz DGSMYRCAOASHKC-HSZRJFAPSA-N 1 1 418.537 3.924 50 0 HHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000019924935 558307684 /nfs/dbraw/zinc/30/76/84/558307684.db2.gz CFUXHNZAIVTBNF-UHFFFAOYSA-N 1 1 405.464 3.643 50 0 HHAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)oc3C)C2)no1 ZINC000012000794 558308091 /nfs/dbraw/zinc/30/80/91/558308091.db2.gz UXDMTNOZUKAROV-HNNXBMFYSA-N 1 1 400.504 3.650 50 0 HHAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)oc3C)C2)no1 ZINC000012000794 558308094 /nfs/dbraw/zinc/30/80/94/558308094.db2.gz UXDMTNOZUKAROV-HNNXBMFYSA-N 1 1 400.504 3.650 50 0 HHAAMO COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCC[N@H+](C4Cc5ccccc5C4)C3)cc2c1 ZINC000012022971 558309729 /nfs/dbraw/zinc/30/97/29/558309729.db2.gz CNSWBOOMQXSKLS-FQEVSTJZSA-N 1 1 403.526 3.880 50 0 HHAAMO CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000012037897 558312398 /nfs/dbraw/zinc/31/23/98/558312398.db2.gz UVDYNEIAHBJKDV-UHFFFAOYSA-N 1 1 413.861 3.721 50 0 HHAAMO CCn1ncc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109475 558334697 /nfs/dbraw/zinc/33/46/97/558334697.db2.gz KQPOQBPHKVAOMU-QFIPXVFZSA-N 1 1 401.986 3.651 50 0 HHAAMO CCn1ncc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109475 558334700 /nfs/dbraw/zinc/33/47/00/558334700.db2.gz KQPOQBPHKVAOMU-QFIPXVFZSA-N 1 1 401.986 3.651 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)c(OC)c1 ZINC000012307674 558376139 /nfs/dbraw/zinc/37/61/39/558376139.db2.gz SHPMMJCTFKAWSG-GOSISDBHSA-N 1 1 405.498 3.984 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)c(OC)c1 ZINC000012307674 558376141 /nfs/dbraw/zinc/37/61/41/558376141.db2.gz SHPMMJCTFKAWSG-GOSISDBHSA-N 1 1 405.498 3.984 50 0 HHAAMO Cc1cc(NCCC[NH+]2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000020533599 558384869 /nfs/dbraw/zinc/38/48/69/558384869.db2.gz FLJQYJMRPIZCGK-UHFFFAOYSA-N 1 1 419.451 3.858 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012439987 558411503 /nfs/dbraw/zinc/41/15/03/558411503.db2.gz PZAXMNMVPWWFCV-INIZCTEOSA-N 1 1 412.983 3.780 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012439987 558411504 /nfs/dbraw/zinc/41/15/04/558411504.db2.gz PZAXMNMVPWWFCV-INIZCTEOSA-N 1 1 412.983 3.780 50 0 HHAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000020783245 558413227 /nfs/dbraw/zinc/41/32/27/558413227.db2.gz SUGMUYSUAOYNJP-OAHLLOKOSA-N 1 1 401.532 3.637 50 0 HHAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000020783245 558413231 /nfs/dbraw/zinc/41/32/31/558413231.db2.gz SUGMUYSUAOYNJP-OAHLLOKOSA-N 1 1 401.532 3.637 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000020998661 558427430 /nfs/dbraw/zinc/42/74/30/558427430.db2.gz XMJLNBZSCFHGRD-QGZVFWFLSA-N 1 1 418.969 3.699 50 0 HHAAMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000012582384 558432792 /nfs/dbraw/zinc/43/27/92/558432792.db2.gz XDACXLVVHRHSPQ-HSZRJFAPSA-N 1 1 417.513 3.824 50 0 HHAAMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000012582384 558432794 /nfs/dbraw/zinc/43/27/94/558432794.db2.gz XDACXLVVHRHSPQ-HSZRJFAPSA-N 1 1 417.513 3.824 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012593410 558436674 /nfs/dbraw/zinc/43/66/74/558436674.db2.gz AOYUARWXDXOVQF-KRWDZBQOSA-N 1 1 403.906 3.815 50 0 HHAAMO O=C(c1cnn(-c2ccccc2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022069671 558461373 /nfs/dbraw/zinc/46/13/73/558461373.db2.gz SJTYCNSUALJFGF-UHFFFAOYSA-N 1 1 423.520 3.815 50 0 HHAAMO O=C(CSCc1nc2ccccc2s1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022444687 558489908 /nfs/dbraw/zinc/48/99/08/558489908.db2.gz JDQUSPHRZOIMCK-UHFFFAOYSA-N 1 1 419.616 3.681 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022812543 558514286 /nfs/dbraw/zinc/51/42/86/558514286.db2.gz UCKALXDNIAZKGM-AWEZNQCLSA-N 1 1 413.465 3.792 50 0 HHAAMO O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022860281 558517526 /nfs/dbraw/zinc/51/75/26/558517526.db2.gz HQTANMYTJJULQY-AREMUKBSSA-N 1 1 416.565 3.971 50 0 HHAAMO C[NH+]1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860252 558517585 /nfs/dbraw/zinc/51/75/85/558517585.db2.gz UQZPLFLUUGHBOA-FQEVSTJZSA-N 1 1 409.357 3.708 50 0 HHAAMO CC(C)Cc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000022925830 558523117 /nfs/dbraw/zinc/52/31/17/558523117.db2.gz ZJXWRTFABUGCHU-VWLOTQADSA-N 1 1 401.639 3.627 50 0 HHAAMO C[N@@H+]1C[C@@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013396047 558531579 /nfs/dbraw/zinc/53/15/79/558531579.db2.gz KREXOOXCKFMSFM-PKKBDPGCSA-N 1 1 416.502 3.886 50 0 HHAAMO C[N@H+]1C[C@@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013396047 558531580 /nfs/dbraw/zinc/53/15/80/558531580.db2.gz KREXOOXCKFMSFM-PKKBDPGCSA-N 1 1 416.502 3.886 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000013594956 558546969 /nfs/dbraw/zinc/54/69/69/558546969.db2.gz QHSQMXUGWJUSOH-LJQANCHMSA-N 1 1 405.498 3.984 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)CC1 ZINC000023374867 558554403 /nfs/dbraw/zinc/55/44/03/558554403.db2.gz JDAMHLWBJLUCAM-QFIPXVFZSA-N 1 1 418.585 3.974 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023732582 558571860 /nfs/dbraw/zinc/57/18/60/558571860.db2.gz NHBJBKZKRJLECX-IBGZPJMESA-N 1 1 403.979 3.883 50 0 HHAAMO COc1ccccc1OCCOCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013691383 558573325 /nfs/dbraw/zinc/57/33/25/558573325.db2.gz PRVZUCHGOOHYHA-UHFFFAOYSA-N 1 1 413.543 3.523 50 0 HHAAMO FC(F)(F)c1ccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc1 ZINC000013725729 558584210 /nfs/dbraw/zinc/58/42/10/558584210.db2.gz DSHCHJSZSVBLGC-KRWDZBQOSA-N 1 1 401.498 3.979 50 0 HHAAMO Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000024045430 558586204 /nfs/dbraw/zinc/58/62/04/558586204.db2.gz MGZOZASEGPGHRF-UHFFFAOYSA-N 1 1 418.950 3.501 50 0 HHAAMO CN1CC[NH+](C(C)(C)CNC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000024667078 558606928 /nfs/dbraw/zinc/60/69/28/558606928.db2.gz RWRRZTDHWMRCNQ-UHFFFAOYSA-N 1 1 408.590 3.534 50 0 HHAAMO COc1ccc(OCCC[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000024746862 558609467 /nfs/dbraw/zinc/60/94/67/558609467.db2.gz GMRICNASXYSQIY-UHFFFAOYSA-N 1 1 412.574 3.825 50 0 HHAAMO Cc1nc(-c2ccc(C[NH2+][C@H](C(=O)N3CCOCC3)c3ccccc3)s2)cs1 ZINC000014123906 558622664 /nfs/dbraw/zinc/62/26/64/558622664.db2.gz YBKODKATAMWFND-FQEVSTJZSA-N 1 1 413.568 3.870 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(CSc2nc[nH]n2)cc1)c1ccccc1Cl ZINC000014168183 558626996 /nfs/dbraw/zinc/62/69/96/558626996.db2.gz JXBYWIINOKMNOV-GOSISDBHSA-N 1 1 415.950 3.783 50 0 HHAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1cccs1)C2 ZINC000014751272 558670921 /nfs/dbraw/zinc/67/09/21/558670921.db2.gz ACUFXTKWODORDE-KRWDZBQOSA-N 1 1 400.592 3.970 50 0 HHAAMO CC(C)c1ccc(-c2noc(C[NH+]3CCC(C(=O)NCC(F)(F)F)CC3)n2)cc1 ZINC000027780055 558682355 /nfs/dbraw/zinc/68/23/55/558682355.db2.gz KWJVEFMWYDAZAB-UHFFFAOYSA-N 1 1 410.440 3.751 50 0 HHAAMO C[C@@H]1CCCCN1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000027932183 558685017 /nfs/dbraw/zinc/68/50/17/558685017.db2.gz SSWYBIJZKOCZPG-HXUWFJFHSA-N 1 1 413.587 3.513 50 0 HHAAMO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014964118 558685131 /nfs/dbraw/zinc/68/51/31/558685131.db2.gz LFEYNHGUMDTGQU-HSZRJFAPSA-N 1 1 401.510 3.814 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000028035309 558689847 /nfs/dbraw/zinc/68/98/47/558689847.db2.gz JAGVWSSRBFXKJP-UHFFFAOYSA-N 1 1 408.571 3.958 50 0 HHAAMO Cc1cnc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000014978801 558690417 /nfs/dbraw/zinc/69/04/17/558690417.db2.gz MNYMXSNDUNATRN-SFHVURJKSA-N 1 1 420.479 3.831 50 0 HHAAMO O=C1CC[N@H+](Cc2ccc3c(c2)OCO3)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000014995560 558696090 /nfs/dbraw/zinc/69/60/90/558696090.db2.gz SUYQHUIRCPCTHC-UHFFFAOYSA-N 1 1 406.404 3.669 50 0 HHAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000015061585 558704793 /nfs/dbraw/zinc/70/47/93/558704793.db2.gz VSVSKAQCOIPQBS-JOCHJYFZSA-N 1 1 402.498 3.800 50 0 HHAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000015061585 558704796 /nfs/dbraw/zinc/70/47/96/558704796.db2.gz VSVSKAQCOIPQBS-JOCHJYFZSA-N 1 1 402.498 3.800 50 0 HHAAMO Cc1ccc(OCc2cc(C(=O)NCC[N@H+]3CCC[C@H](c4ccccc4)C3)no2)cn1 ZINC000015069333 558711637 /nfs/dbraw/zinc/71/16/37/558711637.db2.gz CKZVSHYEGODUDV-FQEVSTJZSA-N 1 1 420.513 3.566 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072308339 558770158 /nfs/dbraw/zinc/77/01/58/558770158.db2.gz OXMJVAXFVCTJCV-CQVCNIOASA-N 1 1 409.618 3.914 50 0 HHAAMO COc1ccc([C@@H](CNS(=O)(=O)c2cc(C)ccc2C)[NH+]2CCCCC2)cc1 ZINC000016084734 558771235 /nfs/dbraw/zinc/77/12/35/558771235.db2.gz VJPAVARAWBIUOM-OAQYLSRUSA-N 1 1 402.560 3.818 50 0 HHAAMO CCc1nc2ccccc2c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000022454674 558779613 /nfs/dbraw/zinc/77/96/13/558779613.db2.gz CUYTZDGNTMFMIK-UHFFFAOYSA-N 1 1 402.542 3.862 50 0 HHAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cc2Cl)CC1 ZINC000016475274 558793340 /nfs/dbraw/zinc/79/33/40/558793340.db2.gz LBEWAQCSYNIIOR-UHFFFAOYSA-N 1 1 423.742 3.892 50 0 HHAAMO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987910 558807808 /nfs/dbraw/zinc/80/78/08/558807808.db2.gz YQBZNRCCAMQAOI-QGZVFWFLSA-N 1 1 407.539 3.900 50 0 HHAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000016916055 558809190 /nfs/dbraw/zinc/80/91/90/558809190.db2.gz WNVYXFZHIIDCNZ-UHFFFAOYSA-N 1 1 419.920 3.964 50 0 HHAAMO Cc1ccccc1-c1ncc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cn1 ZINC000039447859 558821468 /nfs/dbraw/zinc/82/14/68/558821468.db2.gz UULAANLSAHAROC-HXUWFJFHSA-N 1 1 408.571 3.582 50 0 HHAAMO Cc1ccccc1-c1ncc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)cn1 ZINC000039447859 558821470 /nfs/dbraw/zinc/82/14/70/558821470.db2.gz UULAANLSAHAROC-HXUWFJFHSA-N 1 1 408.571 3.582 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccccc1 ZINC000018249827 558834608 /nfs/dbraw/zinc/83/46/08/558834608.db2.gz NQLKMXCVTVGQLV-LJQANCHMSA-N 1 1 405.523 3.803 50 0 HHAAMO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000013574597 558844034 /nfs/dbraw/zinc/84/40/34/558844034.db2.gz SREWELXVCFVELC-GPZLUXPBSA-N 1 1 411.590 3.626 50 0 HHAAMO Cc1ccccc1-c1ncc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cn1 ZINC000019229059 558853151 /nfs/dbraw/zinc/85/31/51/558853151.db2.gz UULAANLSAHAROC-FQEVSTJZSA-N 1 1 408.571 3.582 50 0 HHAAMO Cc1ccccc1-c1ncc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)cn1 ZINC000019229059 558853152 /nfs/dbraw/zinc/85/31/52/558853152.db2.gz UULAANLSAHAROC-FQEVSTJZSA-N 1 1 408.571 3.582 50 0 HHAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c(C(C)C)cc1Cl ZINC000046341868 558858110 /nfs/dbraw/zinc/85/81/10/558858110.db2.gz MZYSUYLWTMGJOM-GOSISDBHSA-N 1 1 403.954 3.729 50 0 HHAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)c(C(C)C)cc1Cl ZINC000046341870 558858140 /nfs/dbraw/zinc/85/81/40/558858140.db2.gz MZYSUYLWTMGJOM-SFHVURJKSA-N 1 1 403.954 3.729 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)CC1 ZINC000033106376 558874039 /nfs/dbraw/zinc/87/40/39/558874039.db2.gz MEHIFRLVKVJRGE-UHFFFAOYSA-N 1 1 416.525 3.946 50 0 HHAAMO Cc1cccc(N2CCN(CC[C@H](C)[NH2+]Cc3csc(-c4ncccn4)n3)CC2)c1 ZINC000057992866 558893273 /nfs/dbraw/zinc/89/32/73/558893273.db2.gz OPWBSVGAIRGHIH-IBGZPJMESA-N 1 1 422.602 3.599 50 0 HHAAMO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004688781 558899063 /nfs/dbraw/zinc/89/90/63/558899063.db2.gz FNIHLGZDZGVADG-QNICDLNXSA-N 1 1 417.619 3.687 50 0 HHAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000019595658 558946104 /nfs/dbraw/zinc/94/61/04/558946104.db2.gz SCFVVOFWRWKQKG-HSZRJFAPSA-N 1 1 419.548 3.798 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915081 558971675 /nfs/dbraw/zinc/97/16/75/558971675.db2.gz VOYWHIUYUMJRRO-SFHVURJKSA-N 1 1 420.557 3.737 50 0 HHAAMO OC[C@]1(O)CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072434397 558979866 /nfs/dbraw/zinc/97/98/66/558979866.db2.gz JJDSZQQAZDKSEI-DEOSSOPVSA-N 1 1 408.929 3.973 50 0 HHAAMO COc1ccc(C[N@H+](Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc1OC ZINC000033068969 558980470 /nfs/dbraw/zinc/98/04/70/558980470.db2.gz GULBMSSKJHAORS-UHFFFAOYSA-N 1 1 401.532 3.740 50 0 HHAAMO O[C@H]1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C[C@@H]1O ZINC000072456726 558983109 /nfs/dbraw/zinc/98/31/09/558983109.db2.gz PWFOGNNAXYIVQQ-GOTSBHOMSA-N 1 1 408.929 3.971 50 0 HHAAMO CCN(C[C@@H]1CCCO1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067491069 558987003 /nfs/dbraw/zinc/98/70/03/558987003.db2.gz CYSXQNYTOKBZDL-NRFANRHFSA-N 1 1 411.546 3.770 50 0 HHAAMO C[C@H](Cc1cccnc1)NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067740445 558992071 /nfs/dbraw/zinc/99/20/71/558992071.db2.gz GSDKOLBWPAXNGX-LJQANCHMSA-N 1 1 418.541 3.885 50 0 HHAAMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097212894 559012485 /nfs/dbraw/zinc/01/24/85/559012485.db2.gz DXUWABFAHZMUTR-HOTGVXAUSA-N 1 1 400.548 3.718 50 0 HHAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082107187 559038486 /nfs/dbraw/zinc/03/84/86/559038486.db2.gz SJBCSPYSNIUPRR-HSZRJFAPSA-N 1 1 423.576 3.861 50 0 HHAAMO CC(C)C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082108347 559038662 /nfs/dbraw/zinc/03/86/62/559038662.db2.gz OREGTQIBNICXQW-HSZRJFAPSA-N 1 1 412.622 3.653 50 0 HHAAMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082139247 559040870 /nfs/dbraw/zinc/04/08/70/559040870.db2.gz AIEYWUUNZPCUFT-HSZRJFAPSA-N 1 1 410.606 3.765 50 0 HHAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000033282045 559044977 /nfs/dbraw/zinc/04/49/77/559044977.db2.gz XWTZNCKGZIXGNZ-UHFFFAOYSA-N 1 1 412.925 3.551 50 0 HHAAMO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000004784113 559062922 /nfs/dbraw/zinc/06/29/22/559062922.db2.gz NEETYLAEGDWUBZ-LJQANCHMSA-N 1 1 406.526 3.561 50 0 HHAAMO COc1ccc([C@@H]2[C@@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@H+]2C)cc1 ZINC000072289683 559077698 /nfs/dbraw/zinc/07/76/98/559077698.db2.gz UYCUZMNLVLTQNF-WIYYLYMNSA-N 1 1 420.550 3.926 50 0 HHAAMO CN(Cc1nccs1)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095527028 559086172 /nfs/dbraw/zinc/08/61/72/559086172.db2.gz KKKQHXVFBSQARH-FQEVSTJZSA-N 1 1 403.592 3.779 50 0 HHAAMO Cc1cccc2nc(C(=O)N3CCC4(CC3)C[C@@H](c3ccccc3)C[N@H+](C)C4)cn21 ZINC000096136162 559095545 /nfs/dbraw/zinc/09/55/45/559095545.db2.gz CCELZQFVLMHBPK-OAQYLSRUSA-N 1 1 402.542 3.984 50 0 HHAAMO C[C@H](C(=O)c1c[nH]c2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000057270726 559162865 /nfs/dbraw/zinc/16/28/65/559162865.db2.gz ZLTVXFVWXRMHJH-OAHLLOKOSA-N 1 1 419.481 3.819 50 0 HHAAMO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000248216662 559268946 /nfs/dbraw/zinc/26/89/46/559268946.db2.gz GKXKHLBIZXSMRO-YWTNCRKHSA-N 1 1 417.638 3.582 50 0 HHAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nn2)CC1 ZINC000005259418 560551064 /nfs/dbraw/zinc/55/10/64/560551064.db2.gz TVVBPWYDHUUPMN-UHFFFAOYSA-N 1 1 407.905 3.801 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000103356785 560840910 /nfs/dbraw/zinc/84/09/10/560840910.db2.gz LIFATGKQRGBHTA-UTKZUKDTSA-N 1 1 407.514 3.986 50 0 HHAAMO CN(C)c1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000051317139 560857213 /nfs/dbraw/zinc/85/72/13/560857213.db2.gz YDGMESRLAGITLC-UHFFFAOYSA-N 1 1 405.502 3.653 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(I)c1 ZINC000048342037 568440492 /nfs/dbraw/zinc/44/04/92/568440492.db2.gz PKBIZQBWCZSHGQ-CQSZACIVSA-N 1 1 400.304 3.676 50 0 HHAAMO CCCn1c2ccccc2n(CCC(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1=O ZINC000048355892 568441620 /nfs/dbraw/zinc/44/16/20/568441620.db2.gz LHWALDVLZXUKGT-UHFFFAOYSA-N 1 1 422.573 3.760 50 0 HHAAMO COc1ccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2cccs2)cc1 ZINC000020107818 568588132 /nfs/dbraw/zinc/58/81/32/568588132.db2.gz ZOJMWVKBQJOXIZ-UHFFFAOYSA-N 1 1 418.632 3.593 50 0 HHAAMO O=c1oc2ccccc2c(N2CCN(Cc3ccccc3)CC2)c1C[NH+]1CCCC1 ZINC000020177668 568592839 /nfs/dbraw/zinc/59/28/39/568592839.db2.gz VKLLMHIIDXXCGP-UHFFFAOYSA-N 1 1 403.526 3.711 50 0 HHAAMO CCC[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2CC)CC[N@H+]1Cc1ccccc1 ZINC000095463283 568622005 /nfs/dbraw/zinc/62/20/05/568622005.db2.gz XBWRVUKLPLISAR-OAQYLSRUSA-N 1 1 417.557 3.956 50 0 HHAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000095483646 568635020 /nfs/dbraw/zinc/63/50/20/568635020.db2.gz QHCXVSALLYBLFZ-CBPXPLCBSA-N 1 1 414.505 3.813 50 0 aggregator HHAAMO C[N@@H+](CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C1CCCCC1 ZINC000020865567 568646478 /nfs/dbraw/zinc/64/64/78/568646478.db2.gz IETIKCXTQAXYHJ-UHFFFAOYSA-N 1 1 416.591 3.517 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)s1 ZINC000021040118 568659763 /nfs/dbraw/zinc/65/97/63/568659763.db2.gz OFMOAEAMQIEIBF-UHFFFAOYSA-N 1 1 423.561 3.871 50 0 HHAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)s1 ZINC000021040118 568659767 /nfs/dbraw/zinc/65/97/67/568659767.db2.gz OFMOAEAMQIEIBF-UHFFFAOYSA-N 1 1 423.561 3.871 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000229686940 568714990 /nfs/dbraw/zinc/71/49/90/568714990.db2.gz HBNNDWATDWCNGP-WOJBJXKFSA-N 1 1 413.512 3.820 50 0 HHAAMO COc1cccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000014185075 568719707 /nfs/dbraw/zinc/71/97/07/568719707.db2.gz BZBPIJBDGJCONN-DNVCBOLYSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1cccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000014185075 568719710 /nfs/dbraw/zinc/71/97/10/568719710.db2.gz BZBPIJBDGJCONN-DNVCBOLYSA-N 1 1 421.522 3.816 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000238923877 568727323 /nfs/dbraw/zinc/72/73/23/568727323.db2.gz PWWCFNUGDXYVCG-MRXNPFEDSA-N 1 1 404.388 3.845 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1CC ZINC000021673200 568736999 /nfs/dbraw/zinc/73/69/99/568736999.db2.gz CSWRRAGLJKEZNX-UYAOXDASSA-N 1 1 415.534 3.521 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1CC ZINC000021673200 568737001 /nfs/dbraw/zinc/73/70/01/568737001.db2.gz CSWRRAGLJKEZNX-UYAOXDASSA-N 1 1 415.534 3.521 50 0 HHAAMO COc1cccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)c1 ZINC000021793923 568753136 /nfs/dbraw/zinc/75/31/36/568753136.db2.gz YCBATKHZVIIBOO-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000000974465 568759349 /nfs/dbraw/zinc/75/93/49/568759349.db2.gz MNQFQRLZGRUFDG-QFIPXVFZSA-N 1 1 417.513 3.735 50 0 HHAAMO CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022358640 568766951 /nfs/dbraw/zinc/76/69/51/568766951.db2.gz BJWPIJCZMMIKSK-SFHVURJKSA-N 1 1 402.560 3.511 50 0 HHAAMO COc1cccc(OC)c1OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057050799 568823833 /nfs/dbraw/zinc/82/38/33/568823833.db2.gz GWNTYOIPVIAVOA-UHFFFAOYSA-N 1 1 410.436 3.924 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000057270680 568825440 /nfs/dbraw/zinc/82/54/40/568825440.db2.gz PAKCDGZQQXTOBB-VLIAUNLRSA-N 1 1 413.905 3.862 50 0 HHAAMO CCOC(=O)C1C(C[NH2+][C@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270680 568825442 /nfs/dbraw/zinc/82/54/42/568825442.db2.gz PAKCDGZQQXTOBB-VLIAUNLRSA-N 1 1 413.905 3.862 50 0 HHAAMO CC[NH2+][C@H](c1nnnn1C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000005952633 568831997 /nfs/dbraw/zinc/83/19/97/568831997.db2.gz KDYNGPLNPMGXQI-QFIPXVFZSA-N 1 1 413.481 3.738 50 0 HHAAMO CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000012608929 568871561 /nfs/dbraw/zinc/87/15/61/568871561.db2.gz KDFGLBGOCAFFII-QHCPKHFHSA-N 1 1 409.530 3.764 50 0 HHAAMO CCOc1ccc(NC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000058021439 568877865 /nfs/dbraw/zinc/87/78/65/568877865.db2.gz BTBXNCFMCXURLD-UHFFFAOYSA-N 1 1 402.926 3.682 50 0 HHAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000263584833 568877931 /nfs/dbraw/zinc/87/79/31/568877931.db2.gz BIROQCBOOCIHGW-IGKWTDBASA-N 1 1 416.562 3.780 50 0 HHAAMO CCCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000263584833 568877932 /nfs/dbraw/zinc/87/79/32/568877932.db2.gz BIROQCBOOCIHGW-IGKWTDBASA-N 1 1 416.562 3.780 50 0 HHAAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000003415844 568899156 /nfs/dbraw/zinc/89/91/56/568899156.db2.gz YGCKRDODCOAGNJ-UHFFFAOYSA-N 1 1 403.482 3.888 50 0 HHAAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000003415844 568899159 /nfs/dbraw/zinc/89/91/59/568899159.db2.gz YGCKRDODCOAGNJ-UHFFFAOYSA-N 1 1 403.482 3.888 50 0 HHAAMO COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(Cc3ccccc3)CC1)CCC2 ZINC000003440117 568903421 /nfs/dbraw/zinc/90/34/21/568903421.db2.gz MHWUCBLPHKUENY-UHFFFAOYSA-N 1 1 412.555 3.917 50 0 HHAAMO COc1cc(Br)c(C[NH2+]Cc2ccc(-n3cccn3)cc2)c(OC)c1 ZINC000083915497 568925077 /nfs/dbraw/zinc/92/50/77/568925077.db2.gz XMJXKSRSAHEHJS-UHFFFAOYSA-N 1 1 402.292 3.942 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000012738063 568925382 /nfs/dbraw/zinc/92/53/82/568925382.db2.gz RAGUDKXSHYEGRN-UHFFFAOYSA-N 1 1 411.468 3.759 50 0 HHAAMO C[C@]1(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1(Br)Br ZINC000004028002 568934033 /nfs/dbraw/zinc/93/40/33/568934033.db2.gz AUIXAFHEMKPMJV-OUCADQQQSA-N 1 1 409.162 3.690 50 0 biogenic HHAAMO CC(=O)c1ccc(OCC(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000012753874 568942135 /nfs/dbraw/zinc/94/21/35/568942135.db2.gz CATWOKKIFKGJEH-HUUCEWRRSA-N 1 1 401.532 3.841 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012753883 568942141 /nfs/dbraw/zinc/94/21/41/568942141.db2.gz CATWOKKIFKGJEH-GASCZTMLSA-N 1 1 401.532 3.841 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012753883 568942142 /nfs/dbraw/zinc/94/21/42/568942142.db2.gz CATWOKKIFKGJEH-GASCZTMLSA-N 1 1 401.532 3.841 50 0 HHAAMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012761945 568946130 /nfs/dbraw/zinc/94/61/30/568946130.db2.gz JQDJBTVVXSSMEY-INIZCTEOSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012761945 568946133 /nfs/dbraw/zinc/94/61/33/568946133.db2.gz JQDJBTVVXSSMEY-INIZCTEOSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1nc(-c2ccc(S(=O)(=O)NCCCn3cc[nH+]c3C(C)C)s2)cs1 ZINC000670469696 568979972 /nfs/dbraw/zinc/97/99/72/568979972.db2.gz ALYMFYIDYYIBMR-UHFFFAOYSA-N 1 1 410.590 3.869 50 0 HHAAMO CCCCn1c(C[N@@H+]2CCC[C@H]2c2cccs2)nc2cc(S(N)(=O)=O)ccc21 ZINC000008230962 568983909 /nfs/dbraw/zinc/98/39/09/568983909.db2.gz PWUYJHBCHJQLTO-SFHVURJKSA-N 1 1 418.588 3.882 50 0 HHAAMO CCCCn1c(C[N@H+]2CCC[C@H]2c2cccs2)nc2cc(S(N)(=O)=O)ccc21 ZINC000008230962 568983910 /nfs/dbraw/zinc/98/39/10/568983910.db2.gz PWUYJHBCHJQLTO-SFHVURJKSA-N 1 1 418.588 3.882 50 0 HHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008389213 568996590 /nfs/dbraw/zinc/99/65/90/568996590.db2.gz VSQUHFUUDYDCMA-QFIPXVFZSA-N 1 1 423.520 3.939 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)cc1C ZINC000104349927 569008295 /nfs/dbraw/zinc/00/82/95/569008295.db2.gz ALZFQWLYNDVKSI-LJQANCHMSA-N 1 1 411.571 3.682 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)cc1C ZINC000104349927 569008296 /nfs/dbraw/zinc/00/82/96/569008296.db2.gz ALZFQWLYNDVKSI-LJQANCHMSA-N 1 1 411.571 3.682 50 0 HHAAMO CC[C@H]1C[N@@H+](CCC(=O)N[C@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000104404768 569008469 /nfs/dbraw/zinc/00/84/69/569008469.db2.gz YEXCSVRASVCNKZ-PBHICJAKSA-N 1 1 403.548 3.701 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(C/C=C/c2ccc(OC)cc2)C[C@H]1CCO ZINC000105272272 569009123 /nfs/dbraw/zinc/00/91/23/569009123.db2.gz XUWLTMUIQIJSIZ-BMOUEYTDSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(C/C=C/c2ccc(OC)cc2)C[C@H]1CCO ZINC000105272272 569009124 /nfs/dbraw/zinc/00/91/24/569009124.db2.gz XUWLTMUIQIJSIZ-BMOUEYTDSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](C/C=C/c2ccc(OC)cc2)C[C@H]1CCO ZINC000105272272 569009125 /nfs/dbraw/zinc/00/91/25/569009125.db2.gz XUWLTMUIQIJSIZ-BMOUEYTDSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](C/C=C/c2ccc(OC)cc2)C[C@H]1CCO ZINC000105272272 569009126 /nfs/dbraw/zinc/00/91/26/569009126.db2.gz XUWLTMUIQIJSIZ-BMOUEYTDSA-N 1 1 410.558 3.676 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012902615 569020646 /nfs/dbraw/zinc/02/06/46/569020646.db2.gz HZUHYZFRDVBYAO-HNNXBMFYSA-N 1 1 401.894 3.638 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012902615 569020647 /nfs/dbraw/zinc/02/06/47/569020647.db2.gz HZUHYZFRDVBYAO-HNNXBMFYSA-N 1 1 401.894 3.638 50 0 HHAAMO COc1ccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000035802488 569060554 /nfs/dbraw/zinc/06/05/54/569060554.db2.gz QTJYDVUDOFDQJR-JOCHJYFZSA-N 1 1 421.541 3.537 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991039 569074538 /nfs/dbraw/zinc/07/45/38/569074538.db2.gz OAJNPRWXDHYUHH-LIRRHRJNSA-N 1 1 405.926 3.728 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991039 569074539 /nfs/dbraw/zinc/07/45/39/569074539.db2.gz OAJNPRWXDHYUHH-LIRRHRJNSA-N 1 1 405.926 3.728 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991688 569074684 /nfs/dbraw/zinc/07/46/84/569074684.db2.gz OGTBXJRAJIBSCL-JOCHJYFZSA-N 1 1 407.514 3.640 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991688 569074685 /nfs/dbraw/zinc/07/46/85/569074685.db2.gz OGTBXJRAJIBSCL-JOCHJYFZSA-N 1 1 407.514 3.640 50 0 HHAAMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=CCN(Cc2cccc(F)c2)CC1 ZINC000064818074 569101155 /nfs/dbraw/zinc/10/11/55/569101155.db2.gz LRVXBOVWYXXPLR-UHFFFAOYSA-N 1 1 407.533 3.739 50 0 HHAAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036250257 569119161 /nfs/dbraw/zinc/11/91/61/569119161.db2.gz OFTVIZDMACCCLI-GCJKJVERSA-N 1 1 415.553 3.543 50 0 HHAAMO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)c1 ZINC000036250319 569119323 /nfs/dbraw/zinc/11/93/23/569119323.db2.gz UTMOWPKNDITXLA-NFBKMPQASA-N 1 1 411.590 3.713 50 0 HHAAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310787 569131962 /nfs/dbraw/zinc/13/19/62/569131962.db2.gz HMXUJINGUBXWQS-KNQAVFIVSA-N 1 1 412.578 3.796 50 0 HHAAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310788 569131965 /nfs/dbraw/zinc/13/19/65/569131965.db2.gz HMXUJINGUBXWQS-UGKGYDQZSA-N 1 1 412.578 3.796 50 0 HHAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344638 569142699 /nfs/dbraw/zinc/14/26/99/569142699.db2.gz DWEDRRUQPKGJBQ-DEOSSOPVSA-N 1 1 404.558 3.537 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCNC(=O)c2ccsc2)C1 ZINC000036395378 569168754 /nfs/dbraw/zinc/16/87/54/569168754.db2.gz ADAHXZOVQFKCGT-GOSISDBHSA-N 1 1 413.587 3.806 50 0 HHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036419431 569177635 /nfs/dbraw/zinc/17/76/35/569177635.db2.gz ZZSQMFHFTVIADH-XLIONFOSSA-N 1 1 410.514 3.871 50 0 HHAAMO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036419431 569177636 /nfs/dbraw/zinc/17/76/36/569177636.db2.gz ZZSQMFHFTVIADH-XLIONFOSSA-N 1 1 410.514 3.871 50 0 HHAAMO CCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCC(C)CC4)cs3)CC2)cc1 ZINC000065200578 569193847 /nfs/dbraw/zinc/19/38/47/569193847.db2.gz NOEUQSAJVBQVRS-UHFFFAOYSA-N 1 1 412.603 3.900 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2)cc1 ZINC000007360335 569235006 /nfs/dbraw/zinc/23/50/06/569235006.db2.gz PHKWDZGDTORFNI-NRFANRHFSA-N 1 1 407.514 3.834 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccc(N2CCCC2)cc1 ZINC000007360335 569235007 /nfs/dbraw/zinc/23/50/07/569235007.db2.gz PHKWDZGDTORFNI-NRFANRHFSA-N 1 1 407.514 3.834 50 0 HHAAMO Cc1cccc(NC2CCN(C(=O)CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)[nH+]1 ZINC000089688954 569262464 /nfs/dbraw/zinc/26/24/64/569262464.db2.gz AXFZBTTVXOMEFW-GOSISDBHSA-N 1 1 416.566 3.830 50 0 HHAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2 ZINC000002115019 569284465 /nfs/dbraw/zinc/28/44/65/569284465.db2.gz BVCMOJHQNDYZII-HOTGVXAUSA-N 1 1 420.303 3.839 50 0 biogenic HHAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444160 569286045 /nfs/dbraw/zinc/28/60/45/569286045.db2.gz GVTCJQIUCKSRAQ-UGKGYDQZSA-N 1 1 423.513 3.572 50 0 HHAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444160 569286046 /nfs/dbraw/zinc/28/60/46/569286046.db2.gz GVTCJQIUCKSRAQ-UGKGYDQZSA-N 1 1 423.513 3.572 50 0 HHAAMO CC1(C)CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000002310144 569372818 /nfs/dbraw/zinc/37/28/18/569372818.db2.gz SZGXHZNUQUZZEZ-UHFFFAOYSA-N 1 1 404.352 3.937 50 0 HHAAMO COC(=O)c1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000055182722 569392682 /nfs/dbraw/zinc/39/26/82/569392682.db2.gz XFTGIUVHKCGTJK-QFIPXVFZSA-N 1 1 410.558 3.868 50 0 HHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4C[C@@]5(C)CN(C)C[C@@](C)(C4)C5)[C@H]3C=C12 ZINC000012656039 569402458 /nfs/dbraw/zinc/40/24/58/569402458.db2.gz FIPCGZHKEIMIJW-YFWWOXJYSA-N 1 1 400.607 3.964 50 0 biogenic HHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@]5(C)C[N@H+](C)C[C@](C)(C4)C5)[C@H]3C=C12 ZINC000012656039 569402464 /nfs/dbraw/zinc/40/24/64/569402464.db2.gz FIPCGZHKEIMIJW-YFWWOXJYSA-N 1 1 400.607 3.964 50 0 biogenic HHAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@]5(C)C[N@@H+](C)C[C@](C)(C4)C5)[C@H]3C=C12 ZINC000012656039 569402466 /nfs/dbraw/zinc/40/24/66/569402466.db2.gz FIPCGZHKEIMIJW-YFWWOXJYSA-N 1 1 400.607 3.964 50 0 biogenic HHAAMO COc1ccc(CNC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000079024395 569424632 /nfs/dbraw/zinc/42/46/32/569424632.db2.gz JJYFSVXSZXCTHI-QUCCMNQESA-N 1 1 402.560 3.741 50 0 HHAAMO CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000079092315 569427077 /nfs/dbraw/zinc/42/70/77/569427077.db2.gz VPSIUWPYNHUNFD-UHFFFAOYSA-N 1 1 420.575 3.804 50 0 HHAAMO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCC(Cc2ccccc2)CC1 ZINC000079496006 569432878 /nfs/dbraw/zinc/43/28/78/569432878.db2.gz QCIGWHXBUZXXDG-UHFFFAOYSA-N 1 1 423.601 3.922 50 0 HHAAMO CCOc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 ZINC000040018037 571139118 /nfs/dbraw/zinc/13/91/18/571139118.db2.gz DTPMIPZVVPAMJB-UHFFFAOYSA-N 1 1 408.498 3.524 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000040107139 571167633 /nfs/dbraw/zinc/16/76/33/571167633.db2.gz GHMFPEPEBYQPBT-GOSISDBHSA-N 1 1 414.571 3.536 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1 ZINC000008944676 571171109 /nfs/dbraw/zinc/17/11/09/571171109.db2.gz RNVFZJHRROIHHK-BJKOFHAPSA-N 1 1 408.542 3.929 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1 ZINC000008944676 571171112 /nfs/dbraw/zinc/17/11/12/571171112.db2.gz RNVFZJHRROIHHK-BJKOFHAPSA-N 1 1 408.542 3.929 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000245328320 571225214 /nfs/dbraw/zinc/22/52/14/571225214.db2.gz NBYGLADCNQZALG-RTBURBONSA-N 1 1 418.557 3.840 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNc3nn4cc(C(C)(C)C)nc4s3)cc2)CC1 ZINC000069982269 571252485 /nfs/dbraw/zinc/25/24/85/571252485.db2.gz RZJJOBQRYHSENP-UHFFFAOYSA-N 1 1 412.607 3.838 50 0 HHAAMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4ccccn4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000011668208 962158813 /nfs/dbraw/zinc/15/88/13/962158813.db2.gz IIOYNGSMAXLYKZ-XZOYJPPVSA-N 1 1 402.498 3.712 50 0 HHAAMO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000011995733 962220090 /nfs/dbraw/zinc/22/00/90/962220090.db2.gz BUYCTCTVLCYXEL-LAUBAEHRSA-N 1 1 403.526 3.987 50 0 HHAAMO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000011995733 962220108 /nfs/dbraw/zinc/22/01/08/962220108.db2.gz BUYCTCTVLCYXEL-LAUBAEHRSA-N 1 1 403.526 3.987 50 0 HHAAMO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C3)c1 ZINC000011995945 962220499 /nfs/dbraw/zinc/22/04/99/962220499.db2.gz LWHZBPGVISUMPF-WMZHIEFXSA-N 1 1 424.516 3.908 50 0 HHAAMO Cc1ncoc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012002629 962221049 /nfs/dbraw/zinc/22/10/49/962221049.db2.gz FOHCVDDJOSPNHB-FQEVSTJZSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1ncoc1C(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012002629 962221066 /nfs/dbraw/zinc/22/10/66/962221066.db2.gz FOHCVDDJOSPNHB-FQEVSTJZSA-N 1 1 402.583 3.566 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000012432678 962279441 /nfs/dbraw/zinc/27/94/41/962279441.db2.gz PMFDIEMSVICVHN-MRXNPFEDSA-N 1 1 408.951 3.539 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000012432678 962279458 /nfs/dbraw/zinc/27/94/58/962279458.db2.gz PMFDIEMSVICVHN-MRXNPFEDSA-N 1 1 408.951 3.539 50 0 HHAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4ccc(OC)c(OC)c4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012571985 962293631 /nfs/dbraw/zinc/29/36/31/962293631.db2.gz ZVPLYRIOCTWLAC-REIDKSKDSA-N 1 1 408.498 3.655 50 0 HHAAMO Cc1ccn(CC(=O)N2CCC([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)n1 ZINC000012596139 962299108 /nfs/dbraw/zinc/29/91/08/962299108.db2.gz NYFSLSZYUSUTSE-HXUWFJFHSA-N 1 1 400.954 3.606 50 0 HHAAMO O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1Cc1cc2ccccc2s1 ZINC000014881452 962597136 /nfs/dbraw/zinc/59/71/36/962597136.db2.gz SPGKERRCAPVLEL-QUCCMNQESA-N 1 1 424.574 3.542 50 0 HHAAMO O=C(NC1CCCCCC1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1Cc1cc2ccccc2s1 ZINC000014881452 962597152 /nfs/dbraw/zinc/59/71/52/962597152.db2.gz SPGKERRCAPVLEL-QUCCMNQESA-N 1 1 424.574 3.542 50 0 HHAAMO Cc1csc(C[N@H+](C)[C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000014965740 962614810 /nfs/dbraw/zinc/61/48/10/962614810.db2.gz WMDDMEQNLBPIGF-HNNXBMFYSA-N 1 1 421.950 3.847 50 0 HHAAMO c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020908875 963403168 /nfs/dbraw/zinc/40/31/68/963403168.db2.gz XMMHMPYAMMSWSM-VWLOTQADSA-N 1 1 401.558 3.659 50 0 HHAAMO c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020908875 963403178 /nfs/dbraw/zinc/40/31/78/963403178.db2.gz XMMHMPYAMMSWSM-VWLOTQADSA-N 1 1 401.558 3.659 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)[NH+](C)C ZINC000023244461 963788543 /nfs/dbraw/zinc/78/85/43/963788543.db2.gz RFGDXNRTDOMGPC-GFOMBABLSA-N 1 1 416.905 3.552 50 0 HHAAMO COc1cc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc2c1OCCO2 ZINC000023294992 963795207 /nfs/dbraw/zinc/79/52/07/963795207.db2.gz OZOFXRWKKOVQGJ-GFOMBABLSA-N 1 1 416.905 3.552 50 0 HHAAMO C[C@H]1C[N@@H+](CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000039510070 966495422 /nfs/dbraw/zinc/49/54/22/966495422.db2.gz GEAJAEVKGHTLRC-JXFKEZNVSA-N 1 1 402.922 3.505 50 0 HHAAMO C[C@H](c1ccon1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000042628380 966813476 /nfs/dbraw/zinc/81/34/76/966813476.db2.gz YOHOSSXKWIEJSP-UKRRQHHQSA-N 1 1 405.882 3.631 50 0 HHAAMO O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000096011739 969041439 /nfs/dbraw/zinc/04/14/39/969041439.db2.gz IGRNSXPILTUZPA-JTPHSUOKSA-N 1 1 416.468 3.574 50 0 HHAAMO CCOc1ccccc1/C=C\C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000097073384 969087358 /nfs/dbraw/zinc/08/73/58/969087358.db2.gz QUBBCURFVWRKFZ-YPKPFQOOSA-N 1 1 407.558 3.552 50 0 HHAAMO COc1cccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1OC(F)F ZINC000229758656 970132340 /nfs/dbraw/zinc/13/23/40/970132340.db2.gz BSUVPYGAVYPETB-YUIUBULTSA-N 1 1 402.441 3.825 50 0 HHAAMO COc1cccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1OC(F)F ZINC000229758656 970132344 /nfs/dbraw/zinc/13/23/44/970132344.db2.gz BSUVPYGAVYPETB-YUIUBULTSA-N 1 1 402.441 3.825 50 0 HHAAMO c1csc(C[N@H+]2CC[C@@H](Oc3ccccc3-c3nc(-c4cnccn4)no3)C2)c1 ZINC000257183536 970619812 /nfs/dbraw/zinc/61/98/12/970619812.db2.gz HPMSXFNQLMMWKM-OAHLLOKOSA-N 1 1 405.483 3.908 50 0 HHAAMO CCC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)NCc1ccccc1)[C@H]23 ZINC000257195645 970626158 /nfs/dbraw/zinc/62/61/58/970626158.db2.gz WOLXEDKRNDHKSB-OUMCCJGNSA-N 1 1 411.590 3.585 50 0 HHAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(OC)cc3)cc2Cl)CC1 ZINC000000809782 132233416 /nfs/dbraw/zinc/23/34/16/132233416.db2.gz LXFZKPJKOLWTQP-UHFFFAOYSA-N 1 1 403.910 3.508 50 0 HHAAMO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000007493896 132324765 /nfs/dbraw/zinc/32/47/65/132324765.db2.gz GLFVZQOBLOYRRZ-UHFFFAOYSA-N 1 1 407.436 3.613 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000007493896 132324767 /nfs/dbraw/zinc/32/47/67/132324767.db2.gz GLFVZQOBLOYRRZ-UHFFFAOYSA-N 1 1 407.436 3.613 50 0 HHAAMO O=S(=O)(Cc1ccccc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000007981375 132326418 /nfs/dbraw/zinc/32/64/18/132326418.db2.gz WGQPWRBIRZFHBL-UHFFFAOYSA-N 1 1 401.919 3.540 50 0 HHAAMO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019797628 518203430 /nfs/dbraw/zinc/20/34/30/518203430.db2.gz PQCSELLABGCGED-SYQRAZLKSA-N 1 1 412.618 3.788 50 0 HHAAMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888413 523159391 /nfs/dbraw/zinc/15/93/91/523159391.db2.gz AFDYZOZTUHUSTA-YLJYHZDGSA-N 1 1 414.546 3.532 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCNC(=O)c1ccsc1 ZINC000032930742 524115080 /nfs/dbraw/zinc/11/50/80/524115080.db2.gz IECOWGCCERPYCU-GOSISDBHSA-N 1 1 413.587 3.949 50 0 HHAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020599875 524382670 /nfs/dbraw/zinc/38/26/70/524382670.db2.gz LNHTVYXMFKWMCQ-QFIPXVFZSA-N 1 1 421.545 3.673 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)cc1 ZINC000020601778 524458187 /nfs/dbraw/zinc/45/81/87/524458187.db2.gz MEZUOHRSBTYQEF-QHCPKHFHSA-N 1 1 418.541 3.646 50 0 HHAAMO C[C@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289237 525252823 /nfs/dbraw/zinc/25/28/23/525252823.db2.gz YPUJCOQXKARFGO-JTSKRJEESA-N 1 1 424.545 3.964 50 0 HHAAMO O=C(CSC1=NCCS1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019921102 527011274 /nfs/dbraw/zinc/01/12/74/527011274.db2.gz DVIJEEHDDMMFKQ-UHFFFAOYSA-N 1 1 411.596 3.756 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000032870858 527544638 /nfs/dbraw/zinc/54/46/38/527544638.db2.gz ZHRPDALSXSXBLM-UHFFFAOYSA-N 1 1 406.486 3.678 50 0 HHAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2ccc(C)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000000987236 557132715 /nfs/dbraw/zinc/13/27/15/557132715.db2.gz MYCCOGRDWXCVLW-UHFFFAOYSA-N 1 1 416.525 3.850 50 0 HHAAMO O=C(NC[C@H]1CCCO1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684597 557387701 /nfs/dbraw/zinc/38/77/01/557387701.db2.gz MDNXPTLNDJJHFQ-JOCHJYFZSA-N 1 1 413.949 3.571 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cnc(SC)nc2)C1 ZINC000011707320 558270707 /nfs/dbraw/zinc/27/07/07/558270707.db2.gz DOYQGCCOHKESRE-SFHVURJKSA-N 1 1 400.592 3.594 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)cc1OC ZINC000019758696 558275038 /nfs/dbraw/zinc/27/50/38/558275038.db2.gz AVIZEKIGHXXRMA-HXUWFJFHSA-N 1 1 400.567 3.689 50 0 HHAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1OC ZINC000019758696 558275041 /nfs/dbraw/zinc/27/50/41/558275041.db2.gz AVIZEKIGHXXRMA-HXUWFJFHSA-N 1 1 400.567 3.689 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)cc1OC ZINC000019758696 558275044 /nfs/dbraw/zinc/27/50/44/558275044.db2.gz AVIZEKIGHXXRMA-HXUWFJFHSA-N 1 1 400.567 3.689 50 0 HHAAMO COc1ccc(-c2noc(C[N@H+](C)Cc3cccc4cnccc43)n2)c(OC)c1OC ZINC000011817529 558280926 /nfs/dbraw/zinc/28/09/26/558280926.db2.gz KMNTZHQKJIBDOR-UHFFFAOYSA-N 1 1 420.469 3.943 50 0 HHAAMO COc1ccc(-c2noc(C[N@@H+](C)Cc3cccc4cnccc43)n2)c(OC)c1OC ZINC000011817529 558280929 /nfs/dbraw/zinc/28/09/29/558280929.db2.gz KMNTZHQKJIBDOR-UHFFFAOYSA-N 1 1 420.469 3.943 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 ZINC000011820703 558283904 /nfs/dbraw/zinc/28/39/04/558283904.db2.gz CTSLFEBFVCHYSK-LJQANCHMSA-N 1 1 413.537 3.923 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000011842946 558287945 /nfs/dbraw/zinc/28/79/45/558287945.db2.gz YMNRNSCDGQBGTR-MRXNPFEDSA-N 1 1 402.457 3.512 50 0 HHAAMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000019850915 558295618 /nfs/dbraw/zinc/29/56/18/558295618.db2.gz VZYBTTCYZOSEFH-UHFFFAOYSA-N 1 1 402.336 3.596 50 0 HHAAMO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011933631 558298189 /nfs/dbraw/zinc/29/81/89/558298189.db2.gz BIGDQSQTTORBCH-JOCHJYFZSA-N 1 1 404.558 3.900 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000011936476 558300413 /nfs/dbraw/zinc/30/04/13/558300413.db2.gz KIDWAHSOZDQFTR-SFHVURJKSA-N 1 1 419.481 3.909 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000011948159 558302530 /nfs/dbraw/zinc/30/25/30/558302530.db2.gz IKLPMBQMSIWNOA-RUZDIDTESA-N 1 1 408.590 3.793 50 0 HHAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011957626 558303891 /nfs/dbraw/zinc/30/38/91/558303891.db2.gz AGFAQAJHGMIHIO-JOCHJYFZSA-N 1 1 419.953 3.996 50 0 HHAAMO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000020029180 558323575 /nfs/dbraw/zinc/32/35/75/558323575.db2.gz PPUUZEUWNUMFBM-UHFFFAOYSA-N 1 1 402.336 3.514 50 0 HHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4cccs4)CC3)cc2)cn1 ZINC000012191254 558347552 /nfs/dbraw/zinc/34/75/52/558347552.db2.gz LPQVMYFSOAYQKR-UHFFFAOYSA-N 1 1 424.570 3.797 50 0 HHAAMO COc1ccc(CN2CC[NH+](CCSc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000020323332 558355356 /nfs/dbraw/zinc/35/53/56/558355356.db2.gz MAXODDXKVCZCAU-UHFFFAOYSA-N 1 1 416.587 3.931 50 0 HHAAMO CCn1nc(CC(C)C)cc1C(=O)N(C)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012314968 558378272 /nfs/dbraw/zinc/37/82/72/558378272.db2.gz VUTCKPSHDYQOAX-JOCHJYFZSA-N 1 1 408.590 3.805 50 0 HHAAMO Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)cc1Br ZINC000020494433 558379737 /nfs/dbraw/zinc/37/97/37/558379737.db2.gz AQHCTANDSZTGJK-UHFFFAOYSA-N 1 1 416.363 3.904 50 0 HHAAMO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCN(Cc4ccccn4)CC3)ccc2c1 ZINC000020513357 558382751 /nfs/dbraw/zinc/38/27/51/558382751.db2.gz WKVHARBNGFTJTC-UHFFFAOYSA-N 1 1 413.525 3.951 50 0 HHAAMO CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NC[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000020518242 558383433 /nfs/dbraw/zinc/38/34/33/558383433.db2.gz VLSUTUTZNVHOCL-WXNAFCGMSA-N 1 1 403.526 3.851 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000020518096 558383529 /nfs/dbraw/zinc/38/35/29/558383529.db2.gz LZMKBTCUMPSQLV-NGIIGVMLSA-N 1 1 403.526 3.905 50 0 HHAAMO C[NH+](C)[C@H](CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O)c1ccco1 ZINC000020663869 558398049 /nfs/dbraw/zinc/39/80/49/558398049.db2.gz FPSWWOAWZYBBOX-LSSXRZCCSA-N 1 1 401.466 3.700 50 0 HHAAMO Clc1ccc(-c2ccc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000020725238 558404388 /nfs/dbraw/zinc/40/43/88/558404388.db2.gz SIHUWYPSLXAQAK-UHFFFAOYSA-N 1 1 408.889 3.848 50 0 HHAAMO COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCC[N@@H+]24)ccc1O ZINC000012429803 558404707 /nfs/dbraw/zinc/40/47/07/558404707.db2.gz UOXSWFLNWOGCLO-LLDIVWLWSA-N 1 1 408.498 3.581 50 0 HHAAMO COc1ccc(CCC(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000012439070 558410610 /nfs/dbraw/zinc/41/06/10/558410610.db2.gz SLLDGWIEDGBANQ-QFIPXVFZSA-N 1 1 410.558 3.802 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO ZINC000012439615 558411098 /nfs/dbraw/zinc/41/10/98/558411098.db2.gz SFOWJLJQRVAIDN-SFHVURJKSA-N 1 1 401.478 3.820 50 0 HHAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@H+]1CC1CCCCC1 ZINC000020775789 558411759 /nfs/dbraw/zinc/41/17/59/558411759.db2.gz BKWHKVZWAQBGPB-JOCHJYFZSA-N 1 1 403.586 3.743 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)n[nH]1 ZINC000012444880 558413523 /nfs/dbraw/zinc/41/35/23/558413523.db2.gz CMAZCNBUZBYIAW-UHFFFAOYSA-N 1 1 400.542 3.774 50 0 HHAAMO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000012457919 558418033 /nfs/dbraw/zinc/41/80/33/558418033.db2.gz DRXCEDLOQATSLD-UHFFFAOYSA-N 1 1 416.468 3.909 50 0 HHAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020892947 558420048 /nfs/dbraw/zinc/42/00/48/558420048.db2.gz NZJYJQUIOQTYHG-UHFFFAOYSA-N 1 1 423.520 3.892 50 0 HHAAMO CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000020909885 558421826 /nfs/dbraw/zinc/42/18/26/558421826.db2.gz OUKOGGNFXGTROH-OAQYLSRUSA-N 1 1 419.573 3.695 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005315 558428543 /nfs/dbraw/zinc/42/85/43/558428543.db2.gz YCFXNPDPPDHYPZ-UHFFFAOYSA-N 1 1 402.542 3.766 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)COC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000021057789 558430760 /nfs/dbraw/zinc/43/07/60/558430760.db2.gz JLZQQGNQDHCNSZ-PMACEKPBSA-N 1 1 410.558 3.797 50 0 HHAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)o1 ZINC000012586589 558434093 /nfs/dbraw/zinc/43/40/93/558434093.db2.gz UPNQFMNVZIGERK-JOCHJYFZSA-N 1 1 412.559 3.767 50 0 HHAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000012595237 558437495 /nfs/dbraw/zinc/43/74/95/558437495.db2.gz KXTRGORDEHKOEB-GOSISDBHSA-N 1 1 410.493 3.928 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@H+]2CCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000021583396 558442181 /nfs/dbraw/zinc/44/21/81/558442181.db2.gz XXQFZURLBDLAHU-NRFANRHFSA-N 1 1 408.498 3.917 50 0 HHAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000021793621 558448964 /nfs/dbraw/zinc/44/89/64/558448964.db2.gz HZVNZYOUWAYICM-UHFFFAOYSA-N 1 1 407.562 3.645 50 0 HHAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012705335 558449473 /nfs/dbraw/zinc/44/94/73/558449473.db2.gz PIUUWOAFBCXQRE-JOCHJYFZSA-N 1 1 424.564 3.742 50 0 HHAAMO CN(Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012705335 558449475 /nfs/dbraw/zinc/44/94/75/558449475.db2.gz PIUUWOAFBCXQRE-JOCHJYFZSA-N 1 1 424.564 3.742 50 0 HHAAMO C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012705335 558449476 /nfs/dbraw/zinc/44/94/76/558449476.db2.gz PIUUWOAFBCXQRE-JOCHJYFZSA-N 1 1 424.564 3.742 50 0 HHAAMO C[N@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012705335 558449478 /nfs/dbraw/zinc/44/94/78/558449478.db2.gz PIUUWOAFBCXQRE-JOCHJYFZSA-N 1 1 424.564 3.742 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012751126 558459069 /nfs/dbraw/zinc/45/90/69/558459069.db2.gz HIDSCOUMHCWCJC-XMMPIXPASA-N 1 1 402.542 3.711 50 0 HHAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012789269 558464478 /nfs/dbraw/zinc/46/44/78/558464478.db2.gz XXEBYWSAGKFWHK-AWEZNQCLSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012789269 558464481 /nfs/dbraw/zinc/46/44/81/558464481.db2.gz XXEBYWSAGKFWHK-AWEZNQCLSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012789666 558464700 /nfs/dbraw/zinc/46/47/00/558464700.db2.gz WCQJEJRDWLPSDG-CYBMUJFWSA-N 1 1 405.292 3.679 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012789666 558464704 /nfs/dbraw/zinc/46/47/04/558464704.db2.gz WCQJEJRDWLPSDG-CYBMUJFWSA-N 1 1 405.292 3.679 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccccc1Cl ZINC000022619847 558502978 /nfs/dbraw/zinc/50/29/78/558502978.db2.gz GSXXSJGPUILWIZ-QGZVFWFLSA-N 1 1 403.935 3.807 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccccc1Cl ZINC000022620033 558503189 /nfs/dbraw/zinc/50/31/89/558503189.db2.gz MHWPGYNADDIEFV-NQIIRXRSSA-N 1 1 402.922 3.931 50 0 HHAAMO CC(C)(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nsnc43)CC2)cc1 ZINC000022752199 558507631 /nfs/dbraw/zinc/50/76/31/558507631.db2.gz HKJXWLMUSCCEGA-UHFFFAOYSA-N 1 1 423.586 3.745 50 0 HHAAMO COc1ccc2[nH]c(C[N@@H+]3CCN(Cc4ccccc4F)[C@@H](CCO)C3)c(C)c2c1 ZINC000023360235 558551825 /nfs/dbraw/zinc/55/18/25/558551825.db2.gz RESOFKXCJQGPBV-IBGZPJMESA-N 1 1 411.521 3.693 50 0 HHAAMO COc1ccc2[nH]c(C[N@H+]3CCN(Cc4ccccc4F)[C@@H](CCO)C3)c(C)c2c1 ZINC000023360235 558551829 /nfs/dbraw/zinc/55/18/29/558551829.db2.gz RESOFKXCJQGPBV-IBGZPJMESA-N 1 1 411.521 3.693 50 0 HHAAMO COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C ZINC000013732025 558586881 /nfs/dbraw/zinc/58/68/81/558586881.db2.gz DDTHVWJNZCJZAO-UHFFFAOYSA-N 1 1 408.502 3.585 50 0 HHAAMO COc1cc(C[N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)ccc1OC(F)F ZINC000024799482 558613214 /nfs/dbraw/zinc/61/32/14/558613214.db2.gz UWDJLFJPBBVLMP-UHFFFAOYSA-N 1 1 409.820 3.590 50 0 HHAAMO COc1cc(C[N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)ccc1OC(F)F ZINC000024799482 558613216 /nfs/dbraw/zinc/61/32/16/558613216.db2.gz UWDJLFJPBBVLMP-UHFFFAOYSA-N 1 1 409.820 3.590 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000014185165 558630333 /nfs/dbraw/zinc/63/03/33/558630333.db2.gz AEWFJRLXNOBLKB-UHFFFAOYSA-N 1 1 403.523 3.714 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303408 558671750 /nfs/dbraw/zinc/67/17/50/558671750.db2.gz SVOIMHBGKRELTH-ZDUSSCGKSA-N 1 1 411.399 3.577 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303408 558671751 /nfs/dbraw/zinc/67/17/51/558671751.db2.gz SVOIMHBGKRELTH-ZDUSSCGKSA-N 1 1 411.399 3.577 50 0 HHAAMO Cc1cc(O[C@@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc(C)c1Cl ZINC000027742386 558680681 /nfs/dbraw/zinc/68/06/81/558680681.db2.gz UYQYOTLBWKLVPW-IBGZPJMESA-N 1 1 422.013 3.791 50 0 HHAAMO COc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000014956774 558682734 /nfs/dbraw/zinc/68/27/34/558682734.db2.gz FOMPIYRXAGQVCI-QFIPXVFZSA-N 1 1 408.542 3.824 50 0 HHAAMO Cc1cc(O[C@@H](C)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc(C)c1Cl ZINC000027992507 558688579 /nfs/dbraw/zinc/68/85/79/558688579.db2.gz XTWOYKJFSAXCJP-SFHVURJKSA-N 1 1 408.970 3.875 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 ZINC000028403215 558700023 /nfs/dbraw/zinc/70/00/23/558700023.db2.gz NRCVEBUJQMVCSF-IBGZPJMESA-N 1 1 422.013 3.872 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038578 558703942 /nfs/dbraw/zinc/70/39/42/558703942.db2.gz BRSGAGGVNWZGRD-INIZCTEOSA-N 1 1 417.937 3.644 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038578 558703945 /nfs/dbraw/zinc/70/39/45/558703945.db2.gz BRSGAGGVNWZGRD-INIZCTEOSA-N 1 1 417.937 3.644 50 0 HHAAMO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000029928877 558723961 /nfs/dbraw/zinc/72/39/61/558723961.db2.gz FZJBMKHVVIKVQV-ZDUSSCGKSA-N 1 1 400.350 3.949 50 0 HHAAMO COc1ccc(OC)c(C[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)c1 ZINC000015170460 558726680 /nfs/dbraw/zinc/72/66/80/558726680.db2.gz CMEQEDJKCYGFQE-UHFFFAOYSA-N 1 1 410.543 3.519 50 0 HHAAMO CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305221 558757801 /nfs/dbraw/zinc/75/78/01/558757801.db2.gz LTDMZPPJRBOQNR-IBGZPJMESA-N 1 1 421.570 3.794 50 0 HHAAMO CCOc1cc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000039537753 558822307 /nfs/dbraw/zinc/82/23/07/558822307.db2.gz ADXLVOTUAZNDBQ-HSZRJFAPSA-N 1 1 412.574 3.595 50 0 HHAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000071820941 558825487 /nfs/dbraw/zinc/82/54/87/558825487.db2.gz BKRAGWZUQLQYSL-QZTJIDSGSA-N 1 1 416.319 3.993 50 0 HHAAMO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccccc3)C[C@@H](C)C(=O)OC)n2)cc1 ZINC000060333753 558849837 /nfs/dbraw/zinc/84/98/37/558849837.db2.gz NEMXVMQMYTTXRU-QGZVFWFLSA-N 1 1 409.486 3.947 50 0 HHAAMO CCOc1ccc(-c2noc(C[N@H+](Cc3ccccc3)C[C@@H](C)C(=O)OC)n2)cc1 ZINC000060333753 558849839 /nfs/dbraw/zinc/84/98/39/558849839.db2.gz NEMXVMQMYTTXRU-QGZVFWFLSA-N 1 1 409.486 3.947 50 0 HHAAMO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccccc3)C[C@H](C)C(=O)OC)n2)cc1 ZINC000060333754 558849861 /nfs/dbraw/zinc/84/98/61/558849861.db2.gz NEMXVMQMYTTXRU-KRWDZBQOSA-N 1 1 409.486 3.947 50 0 HHAAMO CCOc1ccc(-c2noc(C[N@H+](Cc3ccccc3)C[C@H](C)C(=O)OC)n2)cc1 ZINC000060333754 558849863 /nfs/dbraw/zinc/84/98/63/558849863.db2.gz NEMXVMQMYTTXRU-KRWDZBQOSA-N 1 1 409.486 3.947 50 0 HHAAMO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc1C ZINC000055054531 558870818 /nfs/dbraw/zinc/87/08/18/558870818.db2.gz NWXPHGIVOQGAHE-FQEVSTJZSA-N 1 1 411.521 3.570 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106222 558873867 /nfs/dbraw/zinc/87/38/67/558873867.db2.gz GGFQNISTEHXNNU-JOCHJYFZSA-N 1 1 423.605 3.860 50 0 HHAAMO CCCO[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000055182569 558874998 /nfs/dbraw/zinc/87/49/98/558874998.db2.gz GYLHHQNXFHSQAH-NRFANRHFSA-N 1 1 420.557 3.998 50 0 HHAAMO CCCO[C@H]1CCC[N@@H+](Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C1 ZINC000055182569 558874999 /nfs/dbraw/zinc/87/49/99/558874999.db2.gz GYLHHQNXFHSQAH-NRFANRHFSA-N 1 1 420.557 3.998 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000055211663 558876272 /nfs/dbraw/zinc/87/62/72/558876272.db2.gz NVXULIZAJNTYBL-FQEVSTJZSA-N 1 1 413.949 3.775 50 0 HHAAMO C[C@@H]1CN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC[N@@H+]1C ZINC000055415029 558881358 /nfs/dbraw/zinc/88/13/58/558881358.db2.gz WVNCOZODQNVPJF-GFCCVEGCSA-N 1 1 408.449 3.858 50 0 HHAAMO C[C@@H]1CN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC[N@H+]1C ZINC000055415029 558881360 /nfs/dbraw/zinc/88/13/60/558881360.db2.gz WVNCOZODQNVPJF-GFCCVEGCSA-N 1 1 408.449 3.858 50 0 HHAAMO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+]Cc2ccccc2F)cc1 ZINC000058123251 558899927 /nfs/dbraw/zinc/89/99/27/558899927.db2.gz XFQGDFUNNDZVPD-UHFFFAOYSA-N 1 1 405.473 3.792 50 0 HHAAMO O=C(Nc1ccc2c(c1)OCCO2)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000058167138 558907340 /nfs/dbraw/zinc/90/73/40/558907340.db2.gz GQPKTIXZQLCVOY-FQEVSTJZSA-N 1 1 406.404 3.851 50 0 HHAAMO Oc1ccc(C2=CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000058356062 558921356 /nfs/dbraw/zinc/92/13/56/558921356.db2.gz UQWCLKBVCQAZNN-IBGZPJMESA-N 1 1 404.304 3.684 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058420978 558925836 /nfs/dbraw/zinc/92/58/36/558925836.db2.gz HBNNDWATDWCNGP-PMACEKPBSA-N 1 1 413.512 3.820 50 0 HHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+](C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063868711 558960225 /nfs/dbraw/zinc/96/02/25/558960225.db2.gz QCGZCGJMNUWYJS-INIZCTEOSA-N 1 1 409.509 3.985 50 0 HHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)c3ccccc3n2)cn1 ZINC000063870721 558960539 /nfs/dbraw/zinc/96/05/39/558960539.db2.gz LHBGXBSVHLOJOT-LJQANCHMSA-N 1 1 403.530 3.990 50 0 HHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCCNC(=O)c3ccccc3)n2)C1 ZINC000022294539 558987354 /nfs/dbraw/zinc/98/73/54/558987354.db2.gz QQCZIMIYFIBLDC-IRXDYDNUSA-N 1 1 414.575 3.770 50 0 HHAAMO Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1-c1ccccc1 ZINC000095353309 559079731 /nfs/dbraw/zinc/07/97/31/559079731.db2.gz ZDKDTUAYNJOLRC-RBBKRZOGSA-N 1 1 400.526 3.824 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)C1 ZINC000005022409 559229537 /nfs/dbraw/zinc/22/95/37/559229537.db2.gz IUZLJXKEOJZMJL-IYBDPMFKSA-N 1 1 411.571 3.851 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000248024718 559259951 /nfs/dbraw/zinc/25/99/51/559259951.db2.gz KWNJDAAJXUHYPI-AQNXPRMDSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000248024718 559259952 /nfs/dbraw/zinc/25/99/52/559259952.db2.gz KWNJDAAJXUHYPI-AQNXPRMDSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000248024718 559259953 /nfs/dbraw/zinc/25/99/53/559259953.db2.gz KWNJDAAJXUHYPI-AQNXPRMDSA-N 1 1 411.512 3.850 50 0 HHAAMO Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)[NH+]1CCCCCC1 ZINC000011897724 559265518 /nfs/dbraw/zinc/26/55/18/559265518.db2.gz MBYKEPCBWIWXQL-IBGZPJMESA-N 1 1 413.946 3.713 50 0 HHAAMO COc1cc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc(OC)c1 ZINC000051317135 560857200 /nfs/dbraw/zinc/85/72/00/560857200.db2.gz GUVKCKCZPLKWOM-UHFFFAOYSA-N 1 1 422.485 3.605 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982501 560858774 /nfs/dbraw/zinc/85/87/74/560858774.db2.gz FCTWSSQCXSTXJF-NHCUHLMSSA-N 1 1 402.922 3.733 50 0 HHAAMO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000105724201 560877035 /nfs/dbraw/zinc/87/70/35/560877035.db2.gz XJEALIUWFHBSEA-PXNSSMCTSA-N 1 1 407.986 3.865 50 0 HHAAMO CCCCc1nn2c(nc(C[N@@H+](CC)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032466 568424610 /nfs/dbraw/zinc/42/46/10/568424610.db2.gz XMGDZXHYYZCRDY-UHFFFAOYSA-N 1 1 400.548 3.914 50 0 HHAAMO CCCCc1nn2c(nc(C[N@@H+](CCC)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032298 568424728 /nfs/dbraw/zinc/42/47/28/568424728.db2.gz MYWYTYBDKOTHKQ-UHFFFAOYSA-N 1 1 400.548 3.914 50 0 HHAAMO NC(=O)c1c(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000048260372 568433416 /nfs/dbraw/zinc/43/34/16/568433416.db2.gz NQGNKQRYGPZNEU-SFHVURJKSA-N 1 1 409.555 3.816 50 0 HHAAMO NC(=O)c1c(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000048260372 568433417 /nfs/dbraw/zinc/43/34/17/568433417.db2.gz NQGNKQRYGPZNEU-SFHVURJKSA-N 1 1 409.555 3.816 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCNC(=O)c3ccsc3)cc2)C1 ZINC000048310667 568436772 /nfs/dbraw/zinc/43/67/72/568436772.db2.gz SXOIOYABKWHZBW-HDICACEKSA-N 1 1 413.587 3.662 50 0 HHAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1)[nH]c2=O ZINC000049609498 568452510 /nfs/dbraw/zinc/45/25/10/568452510.db2.gz FAMXGCIMIVVPLV-LLVKDONJSA-N 1 1 405.376 3.579 50 0 HHAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)NCc1ccccc1 ZINC000006849677 568461364 /nfs/dbraw/zinc/46/13/64/568461364.db2.gz WFGJVOCYYVXZNG-ZODMCCGTSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)NCc1ccccc1 ZINC000006849677 568461366 /nfs/dbraw/zinc/46/13/66/568461366.db2.gz WFGJVOCYYVXZNG-ZODMCCGTSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965919 568488133 /nfs/dbraw/zinc/48/81/33/568488133.db2.gz UOPYWSHBHCOWHB-DEOSSOPVSA-N 1 1 412.578 3.969 50 0 HHAAMO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965919 568488134 /nfs/dbraw/zinc/48/81/34/568488134.db2.gz UOPYWSHBHCOWHB-DEOSSOPVSA-N 1 1 412.578 3.969 50 0 HHAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965919 568488136 /nfs/dbraw/zinc/48/81/36/568488136.db2.gz UOPYWSHBHCOWHB-DEOSSOPVSA-N 1 1 412.578 3.969 50 0 HHAAMO CC[NH+]1CCN(C(=O)CN2c3ccccc3S/C(=C/c3ccc(C)cc3)C2=O)CC1 ZINC000020181320 568593064 /nfs/dbraw/zinc/59/30/64/568593064.db2.gz GCVXTVMZEMPMHK-CJLVFECKSA-N 1 1 421.566 3.639 50 0 HHAAMO CCCN(C(=O)c1ccc(NC(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000095397203 568604398 /nfs/dbraw/zinc/60/43/98/568604398.db2.gz MNENKNBYAZRJKE-UHFFFAOYSA-N 1 1 409.534 3.573 50 0 HHAAMO O=C(OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1COC(=O)c1ccoc1)c1ccoc1 ZINC000095450730 568614279 /nfs/dbraw/zinc/61/42/79/568614279.db2.gz MQKWBSWVQUYDSV-OYRHEFFESA-N 1 1 409.438 3.635 50 0 HHAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000225396338 568634040 /nfs/dbraw/zinc/63/40/40/568634040.db2.gz OVGZOBWFBNCWGD-XZOQPEGZSA-N 1 1 403.526 3.797 50 0 HHAAMO COc1cccc(OC)c1C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998052 568657332 /nfs/dbraw/zinc/65/73/32/568657332.db2.gz XNUVMTDXBRPTGO-NRFANRHFSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998052 568657334 /nfs/dbraw/zinc/65/73/34/568657334.db2.gz XNUVMTDXBRPTGO-NRFANRHFSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)c(OC)c1OC ZINC000021039137 568659933 /nfs/dbraw/zinc/65/99/33/568659933.db2.gz DCOCHSNERGPEEU-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)c(OC)c1OC ZINC000021039137 568659934 /nfs/dbraw/zinc/65/99/34/568659934.db2.gz DCOCHSNERGPEEU-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO O=C(Nc1ccc(C[NH2+][C@@H](C(=O)N2CCCC2)c2ccccc2)cc1)c1ccco1 ZINC000095947345 568664849 /nfs/dbraw/zinc/66/48/49/568664849.db2.gz NRPNFMUVKVLBMM-JOCHJYFZSA-N 1 1 403.482 3.985 50 0 HHAAMO Cc1ccc(-c2nc(C(=O)NC[C@@H](C)[NH+]3CCN(c4ccccc4)CC3)cs2)o1 ZINC000095949294 568665933 /nfs/dbraw/zinc/66/59/33/568665933.db2.gz IWUNDIGKEYBZCG-MRXNPFEDSA-N 1 1 410.543 3.652 50 0 HHAAMO O=C1Nc2cc(Br)ccc2[C@H]1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000095997226 568679086 /nfs/dbraw/zinc/67/90/86/568679086.db2.gz ZZWMEUORAUBYTE-NVXWUHKLSA-N 1 1 405.292 3.759 50 0 HHAAMO Cc1ccsc1C[N@@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000021262842 568685727 /nfs/dbraw/zinc/68/57/27/568685727.db2.gz TXKLGLRJBWXJRF-UHFFFAOYSA-N 1 1 423.561 3.871 50 0 HHAAMO Cc1ccsc1C[N@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000021262842 568685729 /nfs/dbraw/zinc/68/57/29/568685729.db2.gz TXKLGLRJBWXJRF-UHFFFAOYSA-N 1 1 423.561 3.871 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000014232420 568721858 /nfs/dbraw/zinc/72/18/58/568721858.db2.gz UOLGGGIFKYDNIY-CRAIPNDOSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000014232420 568721860 /nfs/dbraw/zinc/72/18/60/568721860.db2.gz UOLGGGIFKYDNIY-CRAIPNDOSA-N 1 1 421.522 3.816 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000238923876 568727272 /nfs/dbraw/zinc/72/72/72/568727272.db2.gz PWWCFNUGDXYVCG-INIZCTEOSA-N 1 1 404.388 3.845 50 0 HHAAMO Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000021794430 568753521 /nfs/dbraw/zinc/75/35/21/568753521.db2.gz CXDOPJFSXBZZLK-UHFFFAOYSA-N 1 1 403.486 3.926 50 0 HHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccccc3Cl)s2)CC1 ZINC000021880833 568757103 /nfs/dbraw/zinc/75/71/03/568757103.db2.gz ICKWGQZUQFNOFI-UHFFFAOYSA-N 1 1 402.955 3.736 50 0 HHAAMO C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3Br)cc2F)CC1 ZINC000057495957 568844936 /nfs/dbraw/zinc/84/49/36/568844936.db2.gz AJFVSLORIZIEIM-UHFFFAOYSA-N 1 1 410.262 3.731 50 0 HHAAMO COc1ccc(C[NH+]2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)cc1 ZINC000012535831 568845614 /nfs/dbraw/zinc/84/56/14/568845614.db2.gz CZJRBUXGAZDBLX-UHFFFAOYSA-N 1 1 405.527 3.789 50 0 HHAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000012544217 568849517 /nfs/dbraw/zinc/84/95/17/568849517.db2.gz DUUNTDYLEABOFZ-HDICACEKSA-N 1 1 404.514 3.526 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000230208102 568854980 /nfs/dbraw/zinc/85/49/80/568854980.db2.gz LNQHBBQGMXBOHP-YJBOKZPZSA-N 1 1 402.926 3.733 50 0 biogenic HHAAMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000015305056 568871678 /nfs/dbraw/zinc/87/16/78/568871678.db2.gz MLCBPTAVSZKZMF-UHFFFAOYSA-N 1 1 409.313 3.855 50 0 HHAAMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000015305056 568871680 /nfs/dbraw/zinc/87/16/80/568871680.db2.gz MLCBPTAVSZKZMF-UHFFFAOYSA-N 1 1 409.313 3.855 50 0 HHAAMO COc1ccc2cc(CNCC[NH+]3CCCCC3)c(=O)n(Cc3ccccc3F)c2c1 ZINC000299764684 568873614 /nfs/dbraw/zinc/87/36/14/568873614.db2.gz CISQPYLCQCAYPH-UHFFFAOYSA-N 1 1 423.532 3.773 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000058148819 568892516 /nfs/dbraw/zinc/89/25/16/568892516.db2.gz UFROPSWLUKLRFS-UHFFFAOYSA-N 1 1 404.514 3.634 50 0 HHAAMO COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCCCC2)c1OC ZINC000001240929 568907605 /nfs/dbraw/zinc/90/76/05/568907605.db2.gz GGVGYLZZAGXAJN-SFHVURJKSA-N 1 1 413.543 3.929 50 0 HHAAMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012761938 568946220 /nfs/dbraw/zinc/94/62/20/568946220.db2.gz JQDJBTVVXSSMEY-MRXNPFEDSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012761938 568946222 /nfs/dbraw/zinc/94/62/22/568946222.db2.gz JQDJBTVVXSSMEY-MRXNPFEDSA-N 1 1 406.452 3.948 50 0 HHAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000012765495 568948171 /nfs/dbraw/zinc/94/81/71/568948171.db2.gz APKFEBJYYSNGKU-NRFANRHFSA-N 1 1 421.928 3.554 50 0 HHAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccsc1 ZINC000084771137 568958695 /nfs/dbraw/zinc/95/86/95/568958695.db2.gz KQSVDCDEHBXBHJ-AWEZNQCLSA-N 1 1 407.483 3.523 50 0 HHAAMO Cc1ccc(-n2ncc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2-n2cccc2)cc1 ZINC000015681274 568968032 /nfs/dbraw/zinc/96/80/32/568968032.db2.gz ZNLVJMPWIDQEMV-FQEVSTJZSA-N 1 1 405.546 3.966 50 0 HHAAMO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000015731268 568981915 /nfs/dbraw/zinc/98/19/15/568981915.db2.gz RPYPSLADDHAIHQ-LJQANCHMSA-N 1 1 405.546 3.884 50 0 HHAAMO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107833 568992007 /nfs/dbraw/zinc/99/20/07/568992007.db2.gz MWHAEIYCMQZNGZ-WIYYLYMNSA-N 1 1 424.593 3.646 50 0 biogenic HHAAMO Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000008367121 568995486 /nfs/dbraw/zinc/99/54/86/568995486.db2.gz IKYQKYHUOIBJGQ-GOSISDBHSA-N 1 1 408.527 3.675 50 0 HHAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012865558 569012108 /nfs/dbraw/zinc/01/21/08/569012108.db2.gz GATPCLBCTFRLKD-XXBNENTESA-N 1 1 411.521 3.990 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000012931469 569024762 /nfs/dbraw/zinc/02/47/62/569024762.db2.gz WWLLMRJVLPQYIA-AWEZNQCLSA-N 1 1 414.307 3.661 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc(Br)c1 ZINC000012931469 569024763 /nfs/dbraw/zinc/02/47/63/569024763.db2.gz WWLLMRJVLPQYIA-AWEZNQCLSA-N 1 1 414.307 3.661 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000015971546 569025259 /nfs/dbraw/zinc/02/52/59/569025259.db2.gz ZAWMPHYQFCUMKA-AOSWFRPUSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000015971546 569025260 /nfs/dbraw/zinc/02/52/60/569025260.db2.gz ZAWMPHYQFCUMKA-AOSWFRPUSA-N 1 1 411.889 3.619 50 0 HHAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2)cc1 ZINC000053517416 569031242 /nfs/dbraw/zinc/03/12/42/569031242.db2.gz SRSJDDVULRKTLC-HSZRJFAPSA-N 1 1 418.472 3.875 50 0 HHAAMO CCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(-c3cnc4ccccc4n3)cc2)CC1 ZINC000035536909 569043625 /nfs/dbraw/zinc/04/36/25/569043625.db2.gz SRMLNBJNUAKNKZ-SFHVURJKSA-N 1 1 404.514 3.618 50 0 HHAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000244691798 569055100 /nfs/dbraw/zinc/05/51/00/569055100.db2.gz JJNMIPRSAJXCLP-HKUYNNGSSA-N 1 1 415.559 3.879 50 0 HHAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(OC)c2OC)CC(C)C)cc1 ZINC000036097068 569090203 /nfs/dbraw/zinc/09/02/03/569090203.db2.gz NXYZIHCRPLGDTN-IBGZPJMESA-N 1 1 403.519 3.610 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098491 569090934 /nfs/dbraw/zinc/09/09/34/569090934.db2.gz CNFVLIZNGBSRQQ-LJQANCHMSA-N 1 1 401.503 3.602 50 0 HHAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146894 569098756 /nfs/dbraw/zinc/09/87/56/569098756.db2.gz SDYDBWPPZLNUJY-LADGPHEKSA-N 1 1 420.509 3.853 50 0 HHAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000036249342 569118067 /nfs/dbraw/zinc/11/80/67/569118067.db2.gz SDYRHZFFXMEYAC-UHFFFAOYSA-N 1 1 414.525 3.627 50 0 HHAAMO C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036250193 569119170 /nfs/dbraw/zinc/11/91/70/569119170.db2.gz HQMKGIPXKCEMGF-GCJKJVERSA-N 1 1 415.553 3.543 50 0 HHAAMO Cc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)c1 ZINC000036250318 569119312 /nfs/dbraw/zinc/11/93/12/569119312.db2.gz UTMOWPKNDITXLA-OFNKIYASSA-N 1 1 411.590 3.713 50 0 HHAAMO CC1CC[NH+](Cc2ccc(NC(=O)CCc3nc(C4=CCN(C)CC4)no3)cc2)CC1 ZINC000006800227 569126912 /nfs/dbraw/zinc/12/69/12/569126912.db2.gz OWKYYBXKYRHVCJ-UHFFFAOYSA-N 1 1 423.561 3.592 50 0 HHAAMO CC(C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310426 569131684 /nfs/dbraw/zinc/13/16/84/569131684.db2.gz FSSCSSLZOJHLNH-LJQANCHMSA-N 1 1 406.958 3.573 50 0 HHAAMO Cc1cccc([S@@](=O)Cc2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)o2)c1 ZINC000006895184 569175288 /nfs/dbraw/zinc/17/52/88/569175288.db2.gz DVVJKDHBBCQZAG-GDLZYMKVSA-N 1 1 414.571 3.986 50 0 HHAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)cc2)CC1 ZINC000007001789 569198795 /nfs/dbraw/zinc/19/87/95/569198795.db2.gz WFSAURSDYMPRRC-UHFFFAOYSA-N 1 1 421.497 3.862 50 0 HHAAMO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c12 ZINC000036615867 569207165 /nfs/dbraw/zinc/20/71/65/569207165.db2.gz OCLJFPDDQUMQTA-CTXDPNEZSA-N 1 1 415.541 3.961 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)Nc3ccc(Br)nc3C)[C@@H](C)C2)[nH+]1 ZINC000170591610 569240584 /nfs/dbraw/zinc/24/05/84/569240584.db2.gz IXOMRNQRNVNQDF-ZDUSSCGKSA-N 1 1 404.312 3.599 50 0 HHAAMO CC[C@@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000170613510 569246894 /nfs/dbraw/zinc/24/68/94/569246894.db2.gz DGVXAVIHODYYOB-SJORKVTESA-N 1 1 417.579 3.683 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(C)cc4)CC3)n2)cc1 ZINC000017040905 569272234 /nfs/dbraw/zinc/27/22/34/569272234.db2.gz KZPABCQTCRZALU-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000252477046 569288543 /nfs/dbraw/zinc/28/85/43/569288543.db2.gz HFSUCFZKYLYZFV-NIKGAXFTSA-N 1 1 402.926 3.850 50 0 HHAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000252477046 569288545 /nfs/dbraw/zinc/28/85/45/569288545.db2.gz HFSUCFZKYLYZFV-NIKGAXFTSA-N 1 1 402.926 3.850 50 0 HHAAMO Cc1ccc(C[NH+]2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)o1 ZINC000252498683 569290967 /nfs/dbraw/zinc/29/09/67/569290967.db2.gz RIMVUMQSKCPUNR-UHFFFAOYSA-N 1 1 408.468 3.788 50 0 HHAAMO C[C@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297177 569292982 /nfs/dbraw/zinc/29/29/82/569292982.db2.gz IIPHBJNWTGGAQV-CYBMUJFWSA-N 1 1 411.399 3.577 50 0 HHAAMO C[C@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297177 569292983 /nfs/dbraw/zinc/29/29/83/569292983.db2.gz IIPHBJNWTGGAQV-CYBMUJFWSA-N 1 1 411.399 3.577 50 0 HHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 ZINC000007742517 569306221 /nfs/dbraw/zinc/30/62/21/569306221.db2.gz CWDLXBASADAVGC-JOCHJYFZSA-N 1 1 407.514 3.681 50 0 HHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 ZINC000007742517 569306223 /nfs/dbraw/zinc/30/62/23/569306223.db2.gz CWDLXBASADAVGC-JOCHJYFZSA-N 1 1 407.514 3.681 50 0 HHAAMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc(OC)c1OC ZINC000007797904 569311206 /nfs/dbraw/zinc/31/12/06/569311206.db2.gz NSKGAADEUZKVAW-SFHVURJKSA-N 1 1 418.921 3.933 50 0 HHAAMO C[N@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)Cc1ccc2c(c1)OCO2 ZINC000007805192 569311735 /nfs/dbraw/zinc/31/17/35/569311735.db2.gz JATWBYZQSTVWMK-QGZVFWFLSA-N 1 1 423.538 3.863 50 0 HHAAMO C[N@@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)Cc1ccc2c(c1)OCO2 ZINC000007805192 569311737 /nfs/dbraw/zinc/31/17/37/569311737.db2.gz JATWBYZQSTVWMK-QGZVFWFLSA-N 1 1 423.538 3.863 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002248234 569324460 /nfs/dbraw/zinc/32/44/60/569324460.db2.gz CZJADOKVOZZRCT-CQSZACIVSA-N 1 1 409.461 3.869 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002248234 569324461 /nfs/dbraw/zinc/32/44/61/569324461.db2.gz CZJADOKVOZZRCT-CQSZACIVSA-N 1 1 409.461 3.869 50 0 HHAAMO C[C@H]1C[C@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@H+]1C ZINC000078870211 569421016 /nfs/dbraw/zinc/42/10/16/569421016.db2.gz OIOJDZZVRKWRCQ-KBXCAEBGSA-N 1 1 405.336 3.922 50 0 HHAAMO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCC(c2ccccc2)CC1 ZINC000079491348 569432465 /nfs/dbraw/zinc/43/24/65/569432465.db2.gz QUKSSLAPLICMEA-UHFFFAOYSA-N 1 1 409.574 3.847 50 0 HHAAMO Cc1cc(-c2nnc(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)o2)c(C)o1 ZINC000008944000 571170158 /nfs/dbraw/zinc/17/01/58/571170158.db2.gz IRQWMRDPPQDQLA-UHFFFAOYSA-N 1 1 424.457 3.526 50 0 HHAAMO CC[C@](C)(CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000040117709 571174539 /nfs/dbraw/zinc/17/45/39/571174539.db2.gz ZBIOLXSQCHGHPQ-JOCHJYFZSA-N 1 1 401.576 3.587 50 0 HHAAMO Cc1cc(CSc2ncccc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)no1 ZINC000009449785 571259952 /nfs/dbraw/zinc/25/99/52/571259952.db2.gz DGTNVTVJHHLKHT-SFHVURJKSA-N 1 1 412.515 3.830 50 0 HHAAMO O=C(Cc1ccccc1Cl)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077159199 571311815 /nfs/dbraw/zinc/31/18/15/571311815.db2.gz OBSACGVLYKBKMW-UHFFFAOYSA-N 1 1 408.933 3.590 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000011820068 962199773 /nfs/dbraw/zinc/19/97/73/962199773.db2.gz DOMJLOCFGVMPJJ-RUZDIDTESA-N 1 1 421.541 3.707 50 0 HHAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000011820068 962199797 /nfs/dbraw/zinc/19/97/97/962199797.db2.gz DOMJLOCFGVMPJJ-RUZDIDTESA-N 1 1 421.541 3.707 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC ZINC000011933411 962210375 /nfs/dbraw/zinc/21/03/75/962210375.db2.gz WTQYFIMKLDVEAT-RUZDIDTESA-N 1 1 423.557 3.546 50 0 HHAAMO O=C(CSc1ccccn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011936961 962211562 /nfs/dbraw/zinc/21/15/62/962211562.db2.gz OFUFAUXECDJVNZ-QFIPXVFZSA-N 1 1 417.525 3.967 50 0 HHAAMO O=C(CSc1ccccn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011936961 962211578 /nfs/dbraw/zinc/21/15/78/962211578.db2.gz OFUFAUXECDJVNZ-QFIPXVFZSA-N 1 1 417.525 3.967 50 0 HHAAMO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000011995732 962219772 /nfs/dbraw/zinc/21/97/72/962219772.db2.gz BUYCTCTVLCYXEL-DYESRHJHSA-N 1 1 403.526 3.987 50 0 HHAAMO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)Cc2ccccc2O1 ZINC000011995732 962219791 /nfs/dbraw/zinc/21/97/91/962219791.db2.gz BUYCTCTVLCYXEL-DYESRHJHSA-N 1 1 403.526 3.987 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC ZINC000012073538 962233512 /nfs/dbraw/zinc/23/35/12/962233512.db2.gz IWRFYUDAOAOWFC-HXUWFJFHSA-N 1 1 421.541 3.964 50 0 HHAAMO Cc1cc2nc(N3CCC[N@@H+](Cc4cccc(OCCO)c4)CC3)nc(C)c2cc1C ZINC000012148921 962244617 /nfs/dbraw/zinc/24/46/17/962244617.db2.gz AZHMWPJUIAYXQQ-UHFFFAOYSA-N 1 1 420.557 3.638 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000012316958 962270344 /nfs/dbraw/zinc/27/03/44/962270344.db2.gz IMIHFYMDCXYEFP-LJQANCHMSA-N 1 1 420.557 3.527 50 0 HHAAMO COc1ccc2c(c1)c(C(=O)N[C@@H]1CCC[N@H+](C3Cc4ccccc4C3)C1)c(C)n2C ZINC000012434658 962278700 /nfs/dbraw/zinc/27/87/00/962278700.db2.gz MFBDGIOBFQZHCN-HXUWFJFHSA-N 1 1 417.553 3.857 50 0 HHAAMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 ZINC000012470209 962285550 /nfs/dbraw/zinc/28/55/50/962285550.db2.gz BUOAUVZTDOBLNV-UCFODXPJSA-N 1 1 412.555 3.828 50 0 HHAAMO C[N@H+]1CC[C@](C)(CNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 ZINC000020775094 963394956 /nfs/dbraw/zinc/39/49/56/963394956.db2.gz NCLXFORXVHNPKV-OAQYLSRUSA-N 1 1 416.953 3.584 50 0 HHAAMO C[NH+]1CCC(N2CCN(Cc3ccc(C4CCCCC4)s3)C[C@@H]2CCO)CC1 ZINC000023373095 963811081 /nfs/dbraw/zinc/81/10/81/963811081.db2.gz FBUKRQYEBSKTAZ-NRFANRHFSA-N 1 1 405.652 3.759 50 0 HHAAMO CCOCCCNC(=O)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777151 970479553 /nfs/dbraw/zinc/47/95/53/970479553.db2.gz YMPSFRFFHDHSQX-UHFFFAOYSA-N 1 1 423.557 3.576 50 0 HHAAMO Cc1noc([C@@]23C[N@@H+](CCc4ccccc4)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257174955 970615942 /nfs/dbraw/zinc/61/59/42/970615942.db2.gz MITOHCLADZYUKA-ZCYQVOJMSA-N 1 1 402.542 3.696 50 0 HHAAMO C/C(=C\c1ccccc1)CN1CCOc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000299771835 970722004 /nfs/dbraw/zinc/72/20/04/970722004.db2.gz VXXQQNCGUUAICH-POEBIKTISA-N 1 1 419.569 3.682 50 0 HHAAMO CC(=O)c1c(=S)[nH]c(-c2ccccc2)nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000006552901 132311644 /nfs/dbraw/zinc/31/16/44/132311644.db2.gz XUUIPOIEZCJKRG-UHFFFAOYSA-N 1 1 404.539 3.957 50 0 HHAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(Cl)c3)n2)CC1 ZINC000009622605 132341861 /nfs/dbraw/zinc/34/18/61/132341861.db2.gz RTERNMDFRVRWDR-UHFFFAOYSA-N 1 1 419.920 3.964 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)cc1 ZINC000036385827 520976595 /nfs/dbraw/zinc/97/65/95/520976595.db2.gz WABGBSSNCVVKBK-LJQANCHMSA-N 1 1 403.592 3.734 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)cc1 ZINC000036385827 520976604 /nfs/dbraw/zinc/97/66/04/520976604.db2.gz WABGBSSNCVVKBK-LJQANCHMSA-N 1 1 403.592 3.734 50 0 HHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000032870717 521296650 /nfs/dbraw/zinc/29/66/50/521296650.db2.gz LQIWFSIXVHEJKL-IBGZPJMESA-N 1 1 408.498 3.521 50 0 HHAAMO CCC(CC)[C@H](CNC(=O)Cc1csc(-c2ccsc2)n1)[NH+]1CCOCC1 ZINC000032908478 521617112 /nfs/dbraw/zinc/61/71/12/521617112.db2.gz UUQHXKJEBMFDTE-SFHVURJKSA-N 1 1 407.605 3.667 50 0 HHAAMO C[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000040162358 523098603 /nfs/dbraw/zinc/09/86/03/523098603.db2.gz HCPYGECYHALWDB-GOTSBHOMSA-N 1 1 419.521 3.925 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000020581385 523166230 /nfs/dbraw/zinc/16/62/30/523166230.db2.gz UCBZNWYQJMZBPF-HXUWFJFHSA-N 1 1 403.498 3.768 50 0 HHAAMO CN1C(=O)c2ccc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc2C1=O ZINC000032900663 523377945 /nfs/dbraw/zinc/37/79/45/523377945.db2.gz VJLMKCCCXXHYKV-UHFFFAOYSA-N 1 1 405.498 3.929 50 0 HHAAMO CCn1ncc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1=O ZINC000020573255 523692273 /nfs/dbraw/zinc/69/22/73/523692273.db2.gz NQVUESHRVDSBGJ-UHFFFAOYSA-N 1 1 408.933 3.828 50 0 HHAAMO C[C@@]12CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2=O ZINC000031813218 525916212 /nfs/dbraw/zinc/91/62/12/525916212.db2.gz RZSYWMCBCKAULF-PLQXJYEYSA-N 1 1 401.510 3.721 50 0 HHAAMO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)on1 ZINC000020580163 526040045 /nfs/dbraw/zinc/04/00/45/526040045.db2.gz CBKHPTXKYLNBLU-UHFFFAOYSA-N 1 1 403.548 3.597 50 0 HHAAMO O=c1cc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc2sccn21 ZINC000042742591 527476218 /nfs/dbraw/zinc/47/62/18/527476218.db2.gz QEVNKYGAXQNMPL-UHFFFAOYSA-N 1 1 400.891 3.930 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008747966 536938986 /nfs/dbraw/zinc/93/89/86/536938986.db2.gz LIFATGKQRGBHTA-LAUBAEHRSA-N 1 1 407.514 3.986 50 0 HHAAMO COc1cc(OC)cc(-c2onc(C)c2C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000022634081 557300127 /nfs/dbraw/zinc/30/01/27/557300127.db2.gz NFFGMCMZKPJIEI-HNNXBMFYSA-N 1 1 401.507 3.662 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740526 557444000 /nfs/dbraw/zinc/44/40/00/557444000.db2.gz QNFNKYWEFPREMI-NZQKXSOJSA-N 1 1 413.537 3.567 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855505 557476882 /nfs/dbraw/zinc/47/68/82/557476882.db2.gz BCAKANFFZBGSLU-GAJHUEQPSA-N 1 1 411.546 3.899 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)NC(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855505 557476885 /nfs/dbraw/zinc/47/68/85/557476885.db2.gz BCAKANFFZBGSLU-GAJHUEQPSA-N 1 1 411.546 3.899 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000004746285 557591953 /nfs/dbraw/zinc/59/19/53/557591953.db2.gz ZKIVYOQDMOYHQB-OAQYLSRUSA-N 1 1 424.541 3.509 50 0 HHAAMO Cc1cccc(CN2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)n1 ZINC000019720724 558259035 /nfs/dbraw/zinc/25/90/35/558259035.db2.gz JMENGZJEIACJJD-NRFANRHFSA-N 1 1 408.571 3.582 50 0 HHAAMO Cc1cccc(CN2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)n1 ZINC000019720724 558259037 /nfs/dbraw/zinc/25/90/37/558259037.db2.gz JMENGZJEIACJJD-NRFANRHFSA-N 1 1 408.571 3.582 50 0 HHAAMO O[C@@H](COCc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720979 558259302 /nfs/dbraw/zinc/25/93/02/558259302.db2.gz MSSZMIUMUQIRJI-AREMUKBSSA-N 1 1 416.565 3.971 50 0 HHAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000011813462 558278005 /nfs/dbraw/zinc/27/80/05/558278005.db2.gz YLNJHQHDZKABAK-IBGZPJMESA-N 1 1 420.981 3.786 50 0 HHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3c(OC)cc(OC)cc3OC)C2)c1 ZINC000011816403 558279863 /nfs/dbraw/zinc/27/98/63/558279863.db2.gz GWAWKBFUYXZIJO-DEOSSOPVSA-N 1 1 415.530 3.538 50 0 HHAAMO COc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1OC ZINC000019782006 558281326 /nfs/dbraw/zinc/28/13/26/558281326.db2.gz AQACFEZZRVCAJI-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO CN(CCCC[NH+]1CCOCC1)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000019789914 558282303 /nfs/dbraw/zinc/28/23/03/558282303.db2.gz ZOBGQYAZJRDXAM-UHFFFAOYSA-N 1 1 407.514 3.603 50 0 HHAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011819898 558283030 /nfs/dbraw/zinc/28/30/30/558283030.db2.gz CUHVTISGVSFEHT-HXUWFJFHSA-N 1 1 401.510 3.955 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000011838341 558285223 /nfs/dbraw/zinc/28/52/23/558285223.db2.gz RBYWWTQSWFIVHG-QHCPKHFHSA-N 1 1 401.503 3.823 50 0 HHAAMO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2ccccc2OCCO)C1 ZINC000011843121 558288247 /nfs/dbraw/zinc/28/82/47/558288247.db2.gz LGOMANUODBUGRC-VWLOTQADSA-N 1 1 411.542 3.836 50 0 HHAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)c(C)c4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000011843987 558288852 /nfs/dbraw/zinc/28/88/52/558288852.db2.gz MOEWESIGMIOAHI-XTJBDQBJSA-N 1 1 406.526 3.950 50 0 HHAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019920724 558307197 /nfs/dbraw/zinc/30/71/97/558307197.db2.gz DMNCYDBTVZYWOX-MRXNPFEDSA-N 1 1 403.320 3.561 50 0 HHAAMO C[C@H](NC(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000012028133 558310665 /nfs/dbraw/zinc/31/06/65/558310665.db2.gz LEVBHEHWBXAUTO-OALUTQOASA-N 1 1 404.514 3.723 50 0 HHAAMO COc1ccccc1OCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012049637 558313543 /nfs/dbraw/zinc/31/35/43/558313543.db2.gz FCFHONCSPXTZPZ-NRFANRHFSA-N 1 1 410.558 3.796 50 0 HHAAMO CC[C@H]1C[N@H+](CCNC(=O)CCCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012056687 558316131 /nfs/dbraw/zinc/31/61/31/558316131.db2.gz UHCJQINAAMXHIT-SFHVURJKSA-N 1 1 402.560 3.869 50 0 HHAAMO CC[C@H]1C[N@@H+](CCNC(=O)CCCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012056687 558316133 /nfs/dbraw/zinc/31/61/33/558316133.db2.gz UHCJQINAAMXHIT-SFHVURJKSA-N 1 1 402.560 3.869 50 0 HHAAMO Cc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000020029269 558323645 /nfs/dbraw/zinc/32/36/45/558323645.db2.gz PKMGGXRFVKWHAA-UHFFFAOYSA-N 1 1 417.538 3.600 50 0 HHAAMO Cc1ccc(-n2c(NN)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000020029269 558323647 /nfs/dbraw/zinc/32/36/47/558323647.db2.gz PKMGGXRFVKWHAA-UHFFFAOYSA-N 1 1 417.538 3.600 50 0 HHAAMO Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020206369 558346863 /nfs/dbraw/zinc/34/68/63/558346863.db2.gz YRVFJHCJOVETFD-QFIPXVFZSA-N 1 1 406.574 3.731 50 0 HHAAMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020206373 558346912 /nfs/dbraw/zinc/34/69/12/558346912.db2.gz YRVFJHCJOVETFD-JOCHJYFZSA-N 1 1 406.574 3.731 50 0 HHAAMO OCc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386096 558358825 /nfs/dbraw/zinc/35/88/25/558358825.db2.gz VKYYEWBBFFOSJA-LJQANCHMSA-N 1 1 423.479 3.577 50 0 HHAAMO OCc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386096 558358828 /nfs/dbraw/zinc/35/88/28/558358828.db2.gz VKYYEWBBFFOSJA-LJQANCHMSA-N 1 1 423.479 3.577 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(SC)cc3)C[C@@H]2CCO)c(F)c1 ZINC000020452080 558366223 /nfs/dbraw/zinc/36/62/23/558366223.db2.gz CCINMOOHFPNXIW-IBGZPJMESA-N 1 1 404.551 3.625 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(SC)cc3)C[C@@H]2CCO)c(F)c1 ZINC000020452080 558366226 /nfs/dbraw/zinc/36/62/26/558366226.db2.gz CCINMOOHFPNXIW-IBGZPJMESA-N 1 1 404.551 3.625 50 0 HHAAMO OCC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@H+]1CC1CCCCC1 ZINC000020454937 558368574 /nfs/dbraw/zinc/36/85/74/558368574.db2.gz LTMZNPJOHOZUQA-DEOSSOPVSA-N 1 1 403.586 3.743 50 0 HHAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4nc5c(s4)CCCC5)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012303014 558372565 /nfs/dbraw/zinc/37/25/65/558372565.db2.gz VBPVOYNZXYDIJN-FOMLIJIXSA-N 1 1 409.555 3.973 50 0 HHAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4nc5c(s4)CCCC5)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012303014 558372568 /nfs/dbraw/zinc/37/25/68/558372568.db2.gz VBPVOYNZXYDIJN-FOMLIJIXSA-N 1 1 409.555 3.973 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CSc1ccncc1 ZINC000012315086 558378563 /nfs/dbraw/zinc/37/85/63/558378563.db2.gz JNEZHKRPGKZHAX-GOSISDBHSA-N 1 1 401.551 3.726 50 0 HHAAMO CCn1ccnc1CN(C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012317226 558380455 /nfs/dbraw/zinc/38/04/55/558380455.db2.gz FUVAZCXFLTZYNF-JOCHJYFZSA-N 1 1 414.594 3.539 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000020517983 558383078 /nfs/dbraw/zinc/38/30/78/558383078.db2.gz HJNRRLPQEFSWQY-QZMYASAMSA-N 1 1 403.526 3.905 50 0 HHAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccsc1 ZINC000012373307 558390559 /nfs/dbraw/zinc/39/05/59/558390559.db2.gz GTBAVGKKIMWVSV-SFHVURJKSA-N 1 1 403.567 3.803 50 0 HHAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000020778196 558412570 /nfs/dbraw/zinc/41/25/70/558412570.db2.gz YBTOGCMWWUFSLW-FQEVSTJZSA-N 1 1 419.525 3.588 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 ZINC000012464515 558420116 /nfs/dbraw/zinc/42/01/16/558420116.db2.gz NOPYWVSREOIVNE-QFIPXVFZSA-N 1 1 417.550 3.656 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000021059586 558430626 /nfs/dbraw/zinc/43/06/26/558430626.db2.gz GBFJHWMAKWJNLQ-CALCHBBNSA-N 1 1 401.576 3.665 50 0 HHAAMO Cc1ccc(-c2nc(CC(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000021059586 558430629 /nfs/dbraw/zinc/43/06/29/558430629.db2.gz GBFJHWMAKWJNLQ-CALCHBBNSA-N 1 1 401.576 3.665 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000012579893 558432314 /nfs/dbraw/zinc/43/23/14/558432314.db2.gz SHOXPSHQGFYRFF-FQEVSTJZSA-N 1 1 423.557 3.962 50 0 HHAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3c[nH]c4ccccc34)C2)c1 ZINC000012584255 558433621 /nfs/dbraw/zinc/43/36/21/558433621.db2.gz ABSYTHRBOWGRFO-KRWDZBQOSA-N 1 1 407.514 3.827 50 0 HHAAMO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)n2)cc1 ZINC000012702057 558447950 /nfs/dbraw/zinc/44/79/50/558447950.db2.gz RBBPOUPXKMMYKU-HXUWFJFHSA-N 1 1 407.470 3.704 50 0 HHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)n2)cc1 ZINC000012702057 558447954 /nfs/dbraw/zinc/44/79/54/558447954.db2.gz RBBPOUPXKMMYKU-HXUWFJFHSA-N 1 1 407.470 3.704 50 0 HHAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c1OC ZINC000012701736 558448053 /nfs/dbraw/zinc/44/80/53/558448053.db2.gz VUEKUBAVGIHJPC-GOSISDBHSA-N 1 1 419.525 3.894 50 0 HHAAMO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012795460 558468432 /nfs/dbraw/zinc/46/84/32/558468432.db2.gz RUYDTABHFINFOX-NRFANRHFSA-N 1 1 410.514 3.652 50 0 HHAAMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012795460 558468433 /nfs/dbraw/zinc/46/84/33/558468433.db2.gz RUYDTABHFINFOX-NRFANRHFSA-N 1 1 410.514 3.652 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NCc1ccc(C(F)(F)F)cc1 ZINC000022437173 558489673 /nfs/dbraw/zinc/48/96/73/558489673.db2.gz OIDDZENEPMQIMI-UHFFFAOYSA-N 1 1 407.436 3.537 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1Cl ZINC000022620029 558503276 /nfs/dbraw/zinc/50/32/76/558503276.db2.gz MHWPGYNADDIEFV-RXVVDRJESA-N 1 1 402.922 3.931 50 0 HHAAMO Cc1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)c(Br)c1 ZINC000022929627 558523757 /nfs/dbraw/zinc/52/37/57/558523757.db2.gz ACEZZUTUAZLAIL-UHFFFAOYSA-N 1 1 416.363 3.904 50 0 HHAAMO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013465153 558533048 /nfs/dbraw/zinc/53/30/48/558533048.db2.gz ZQGCLBJDEBVUTQ-MRXNPFEDSA-N 1 1 421.925 3.651 50 0 HHAAMO COc1ccc(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)cc1O ZINC000023358937 558551415 /nfs/dbraw/zinc/55/14/15/558551415.db2.gz XPGPAKLIAHRHIX-HXUWFJFHSA-N 1 1 414.546 3.557 50 0 HHAAMO OCC[C@@H]1C[N@H+](C2CCN(c3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000023373900 558554155 /nfs/dbraw/zinc/55/41/55/558554155.db2.gz WZPORHGOAMRKDK-AREMUKBSSA-N 1 1 407.602 3.657 50 0 HHAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373900 558554159 /nfs/dbraw/zinc/55/41/59/558554159.db2.gz WZPORHGOAMRKDK-AREMUKBSSA-N 1 1 407.602 3.657 50 0 HHAAMO OCC[C@@H]1CN(C2CCN(c3ccccc3)CC2)CC[N@H+]1CCCc1ccccc1 ZINC000023373900 558554161 /nfs/dbraw/zinc/55/41/61/558554161.db2.gz WZPORHGOAMRKDK-AREMUKBSSA-N 1 1 407.602 3.657 50 0 HHAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023701034 558568543 /nfs/dbraw/zinc/56/85/43/558568543.db2.gz GEXLKWPLTVKGDE-UHFFFAOYSA-N 1 1 415.537 3.837 50 0 HHAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000014183375 558629195 /nfs/dbraw/zinc/62/91/95/558629195.db2.gz DTRUHFQJCUOZOX-IBGZPJMESA-N 1 1 408.951 3.854 50 0 HHAAMO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000025067589 558630363 /nfs/dbraw/zinc/63/03/63/558630363.db2.gz OQBALKUILJPXBY-IXDOHACOSA-N 1 1 400.494 3.935 50 0 HHAAMO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000025067589 558630364 /nfs/dbraw/zinc/63/03/64/558630364.db2.gz OQBALKUILJPXBY-IXDOHACOSA-N 1 1 400.494 3.935 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000025082345 558630877 /nfs/dbraw/zinc/63/08/77/558630877.db2.gz DFSVZEXUOLFFTR-HDICACEKSA-N 1 1 418.541 3.914 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000025082345 558630879 /nfs/dbraw/zinc/63/08/79/558630879.db2.gz DFSVZEXUOLFFTR-HDICACEKSA-N 1 1 418.541 3.914 50 0 HHAAMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000025221609 558635033 /nfs/dbraw/zinc/63/50/33/558635033.db2.gz LQJVFXFKTLUFPR-UHFFFAOYSA-N 1 1 403.404 3.655 50 0 HHAAMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000025221609 558635035 /nfs/dbraw/zinc/63/50/35/558635035.db2.gz LQJVFXFKTLUFPR-UHFFFAOYSA-N 1 1 403.404 3.655 50 0 HHAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000025304302 558637272 /nfs/dbraw/zinc/63/72/72/558637272.db2.gz SFZKRBDTGDINFB-XLIONFOSSA-N 1 1 402.922 3.568 50 0 HHAAMO O=C(C[NH+]1CCCC1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000025418603 558640341 /nfs/dbraw/zinc/64/03/41/558640341.db2.gz NPDRRZBYLKAIED-LJQANCHMSA-N 1 1 402.420 3.883 50 0 HHAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)cc2c1OCO2 ZINC000014947883 558679971 /nfs/dbraw/zinc/67/99/71/558679971.db2.gz FTFNEYVOYXDDAF-HNNXBMFYSA-N 1 1 401.434 3.667 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)cc2c1OCO2 ZINC000014947883 558679975 /nfs/dbraw/zinc/67/99/75/558679975.db2.gz FTFNEYVOYXDDAF-HNNXBMFYSA-N 1 1 401.434 3.667 50 0 HHAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014954890 558681997 /nfs/dbraw/zinc/68/19/97/558681997.db2.gz MSPREXONPCFQPL-QGZVFWFLSA-N 1 1 407.518 3.544 50 0 HHAAMO COC(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1 ZINC000014955621 558682312 /nfs/dbraw/zinc/68/23/12/558682312.db2.gz ZWSMVPUSGPFIBS-GOSISDBHSA-N 1 1 412.505 3.639 50 0 HHAAMO CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000014956569 558682720 /nfs/dbraw/zinc/68/27/20/558682720.db2.gz BSVSVQFTYQSGHE-KRWDZBQOSA-N 1 1 410.514 3.829 50 0 HHAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)ccc1OC ZINC000014989766 558693761 /nfs/dbraw/zinc/69/37/61/558693761.db2.gz XULMISHNBDAGMU-UHFFFAOYSA-N 1 1 406.530 3.529 50 0 HHAAMO CC(=O)N1CCN(Cc2ccc3c(c2)C[N@H+](Cc2cc(C)c(C)cc2C)CCO3)CC1 ZINC000014990409 558694158 /nfs/dbraw/zinc/69/41/58/558694158.db2.gz BHAKRQUQLRROSR-UHFFFAOYSA-N 1 1 421.585 3.671 50 0 HHAAMO C[N@@H+](Cc1nccs1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014994041 558695521 /nfs/dbraw/zinc/69/55/21/558695521.db2.gz OPXAKUSZEIJUBQ-AWEZNQCLSA-N 1 1 407.923 3.538 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+](C)C)cc1 ZINC000028289514 558696158 /nfs/dbraw/zinc/69/61/58/558696158.db2.gz ASAYONXSGPZKRC-GOSISDBHSA-N 1 1 414.889 3.796 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)COc3ccc(C(C)C)cc3)CCCCC2)CC1 ZINC000028293166 558698286 /nfs/dbraw/zinc/69/82/86/558698286.db2.gz VFBSPEHZIACTLK-UHFFFAOYSA-N 1 1 401.595 3.645 50 0 HHAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000015063183 558706001 /nfs/dbraw/zinc/70/60/01/558706001.db2.gz QWQWQAZGRVJQCL-FQEVSTJZSA-N 1 1 411.933 3.861 50 0 HHAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000015063183 558706004 /nfs/dbraw/zinc/70/60/04/558706004.db2.gz QWQWQAZGRVJQCL-FQEVSTJZSA-N 1 1 411.933 3.861 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015064585 558707578 /nfs/dbraw/zinc/70/75/78/558707578.db2.gz XMSDWRQGCTXPTI-IBGZPJMESA-N 1 1 402.608 3.604 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)CC1 ZINC000015064593 558707641 /nfs/dbraw/zinc/70/76/41/558707641.db2.gz QNIAAFPKSWOAQZ-SFHVURJKSA-N 1 1 419.541 3.555 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2c(C)nn(C)c2Cl)C1 ZINC000015065175 558708094 /nfs/dbraw/zinc/70/80/94/558708094.db2.gz PILVLSWNVXBEES-GOSISDBHSA-N 1 1 404.986 3.777 50 0 HHAAMO O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015072722 558713812 /nfs/dbraw/zinc/71/38/12/558713812.db2.gz ARJOCDVSDCPEHO-XMMPIXPASA-N 1 1 423.601 3.896 50 0 HHAAMO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000016445568 558791432 /nfs/dbraw/zinc/79/14/32/558791432.db2.gz FNNCUGPBTHXSEB-UHFFFAOYSA-N 1 1 423.557 3.871 50 0 HHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000016695567 558800991 /nfs/dbraw/zinc/80/09/91/558800991.db2.gz KWWCYNRACWATHP-HNNXBMFYSA-N 1 1 421.335 3.646 50 0 HHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000016695567 558800994 /nfs/dbraw/zinc/80/09/94/558800994.db2.gz KWWCYNRACWATHP-HNNXBMFYSA-N 1 1 421.335 3.646 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018265594 558835053 /nfs/dbraw/zinc/83/50/53/558835053.db2.gz OKQFDSLXVLYUOU-GOSISDBHSA-N 1 1 409.873 3.993 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)c(C)c1C ZINC000019222800 558852446 /nfs/dbraw/zinc/85/24/46/558852446.db2.gz ADDCXGLYTGBESL-NRFANRHFSA-N 1 1 404.501 3.659 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1Cl ZINC000023016822 558863125 /nfs/dbraw/zinc/86/31/25/558863125.db2.gz GBQMDPAKDMZLPA-YJBOKZPZSA-N 1 1 419.978 3.673 50 0 HHAAMO CC(=O)c1ccccc1C(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055098912 558872088 /nfs/dbraw/zinc/87/20/88/558872088.db2.gz VJHQNZHDYZRZOU-NRFANRHFSA-N 1 1 405.542 3.624 50 0 HHAAMO O=C(c1ccc(F)c(F)c1)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055134138 558873713 /nfs/dbraw/zinc/87/37/13/558873713.db2.gz VMAXUMGFPHQVEY-IBGZPJMESA-N 1 1 403.448 3.531 50 0 HHAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000055568756 558882922 /nfs/dbraw/zinc/88/29/22/558882922.db2.gz CAPFZVDNLCGGMR-LQATUXICSA-N 1 1 419.529 3.632 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000058166934 558907039 /nfs/dbraw/zinc/90/70/39/558907039.db2.gz GVLMYCDURYZGEO-DBVUQKKJSA-N 1 1 424.488 3.905 50 0 HHAAMO O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1[N@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000058166934 558907041 /nfs/dbraw/zinc/90/70/41/558907041.db2.gz GVLMYCDURYZGEO-DBVUQKKJSA-N 1 1 424.488 3.905 50 0 HHAAMO NC(=O)C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(F)c2cccnc12 ZINC000058428746 558926437 /nfs/dbraw/zinc/92/64/37/558926437.db2.gz ARWMTJYYPJCJPV-UHFFFAOYSA-N 1 1 402.267 3.624 50 0 HHAAMO NC(=O)C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(F)c2cccnc12 ZINC000058428746 558926439 /nfs/dbraw/zinc/92/64/39/558926439.db2.gz ARWMTJYYPJCJPV-UHFFFAOYSA-N 1 1 402.267 3.624 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000072421560 558978461 /nfs/dbraw/zinc/97/84/61/558978461.db2.gz DDAYVCCBRHHILS-HXUWFJFHSA-N 1 1 405.498 3.677 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3cccs3)C2)c(OC)c1 ZINC000097105851 558993966 /nfs/dbraw/zinc/99/39/66/558993966.db2.gz YHKNOAXGZPVMHA-IBGZPJMESA-N 1 1 413.543 3.929 50 0 HHAAMO CCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCC1 ZINC000082138816 559040660 /nfs/dbraw/zinc/04/06/60/559040660.db2.gz LZAGTCHOUVZYDA-QFIPXVFZSA-N 1 1 412.622 3.939 50 0 HHAAMO Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)cc1C ZINC000005259408 559163435 /nfs/dbraw/zinc/16/34/35/559163435.db2.gz PIGDNPPTLNRGAP-UHFFFAOYSA-N 1 1 401.514 3.765 50 0 HHAAMO COc1ccc(-c2cnc3ncnn3c2N2CCC([N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000023328344 559166742 /nfs/dbraw/zinc/16/67/42/559166742.db2.gz IZBAJOBXNXAQFL-KRWDZBQOSA-N 1 1 406.534 3.501 50 0 HHAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022901 559187824 /nfs/dbraw/zinc/18/78/24/559187824.db2.gz MUGRBEWUFIKFLA-XMMPIXPASA-N 1 1 421.516 3.933 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12 ZINC000005066836 559239923 /nfs/dbraw/zinc/23/99/23/559239923.db2.gz XAIHNFXHZMTQOX-UHFFFAOYSA-N 1 1 409.983 3.522 50 0 HHAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005097308 559245091 /nfs/dbraw/zinc/24/50/91/559245091.db2.gz GCJDGLFVVWWIMP-QFIPXVFZSA-N 1 1 402.535 3.938 50 0 HHAAMO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000409413301 559250590 /nfs/dbraw/zinc/25/05/90/559250590.db2.gz JTLPAQMATCDEIG-PXNSSMCTSA-N 1 1 400.954 3.962 50 0 HHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000248112073 559263445 /nfs/dbraw/zinc/26/34/45/559263445.db2.gz RDWLWYOLVMITEH-XQQFMLRXSA-N 1 1 407.399 3.537 50 0 HHAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000252540180 559278371 /nfs/dbraw/zinc/27/83/71/559278371.db2.gz OVGZOBWFBNCWGD-PKTZIBPZSA-N 1 1 403.526 3.797 50 0 HHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005191587 559291443 /nfs/dbraw/zinc/29/14/43/559291443.db2.gz XIFPMFNMEOPNTC-UHFFFAOYSA-N 1 1 409.964 3.609 50 0 HHAAMO CC[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005191587 559291444 /nfs/dbraw/zinc/29/14/44/559291444.db2.gz XIFPMFNMEOPNTC-UHFFFAOYSA-N 1 1 409.964 3.609 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415029 560723464 /nfs/dbraw/zinc/72/34/64/560723464.db2.gz RNSYTVZHTBTVMV-UGKGYDQZSA-N 1 1 404.599 3.742 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409415029 560723465 /nfs/dbraw/zinc/72/34/65/560723465.db2.gz RNSYTVZHTBTVMV-UGKGYDQZSA-N 1 1 404.599 3.742 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409415029 560723466 /nfs/dbraw/zinc/72/34/66/560723466.db2.gz RNSYTVZHTBTVMV-UGKGYDQZSA-N 1 1 404.599 3.742 50 0 HHAAMO OCCCC1=NC2=[NH+]C(c3ccc(Br)cc3)=C[C@@H](c3cccs3)N2N1 ZINC000100486216 560850313 /nfs/dbraw/zinc/85/03/13/560850313.db2.gz KSCMIVUCGXFVDE-HNNXBMFYSA-N 1 1 417.332 3.954 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984258 560858895 /nfs/dbraw/zinc/85/88/95/560858895.db2.gz NTXHCBQLLQWMFO-DHIUTWEWSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984262 560858937 /nfs/dbraw/zinc/85/89/37/560858937.db2.gz CNYLQCZEJARFTE-FCHUYYIVSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984262 560858938 /nfs/dbraw/zinc/85/89/38/560858938.db2.gz CNYLQCZEJARFTE-FCHUYYIVSA-N 1 1 414.521 3.854 50 0 HHAAMO C[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000106361771 560890858 /nfs/dbraw/zinc/89/08/58/560890858.db2.gz FMYKLAAJFBPSHC-RBUKOAKNSA-N 1 1 424.589 3.647 50 0 HHAAMO CCC1CCC([N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000107049707 560895194 /nfs/dbraw/zinc/89/51/94/560895194.db2.gz CWVNGBSHLZZPPF-WVNPWQTNSA-N 1 1 405.558 3.750 50 0 HHAAMO O=C(CCOc1ccccc1-c1ccccc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000048264364 568433861 /nfs/dbraw/zinc/43/38/61/568433861.db2.gz ZDYTVWKJCFHVFZ-JOCHJYFZSA-N 1 1 408.542 3.836 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CN(C)C(=O)c3ccccc3)cc2)C1 ZINC000048310965 568436795 /nfs/dbraw/zinc/43/67/95/568436795.db2.gz LCECOWRJIMYWNX-BGYRXZFFSA-N 1 1 407.558 3.553 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccc(C)cc3C)cc2)CC1 ZINC000048300603 568437437 /nfs/dbraw/zinc/43/74/37/568437437.db2.gz BQXNERVFRKQXSY-UHFFFAOYSA-N 1 1 409.574 3.526 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cncn3)cc2)C1 ZINC000048367436 568442046 /nfs/dbraw/zinc/44/20/46/568442046.db2.gz LZPAJFUBQRJLNG-BGYRXZFFSA-N 1 1 417.557 3.734 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1Cl ZINC000021556844 568466363 /nfs/dbraw/zinc/46/63/63/568466363.db2.gz YWRZOXDUOWTYFP-GOSISDBHSA-N 1 1 409.958 3.706 50 0 HHAAMO CCc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020212278 568594419 /nfs/dbraw/zinc/59/44/19/568594419.db2.gz ZZBVJFGIFUECFW-UHFFFAOYSA-N 1 1 418.541 3.993 50 0 HHAAMO C[C@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288515 568597779 /nfs/dbraw/zinc/59/77/79/568597779.db2.gz WZLKIBZOHNCCPE-PGRDOPGGSA-N 1 1 406.555 3.825 50 0 HHAAMO C[C@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288702 568597834 /nfs/dbraw/zinc/59/78/34/568597834.db2.gz CXPFBDGNSOFFAZ-CVDCTZTESA-N 1 1 420.582 3.821 50 0 HHAAMO Cc1cc(N2CC[NH+](C[C@@H]3CO[C@H](c4ccc(Cl)cc4)O3)CC2)nc(C(C)C)n1 ZINC000095448098 568612517 /nfs/dbraw/zinc/61/25/17/568612517.db2.gz FITFLLREFQOPMD-KNQAVFIVSA-N 1 1 416.953 3.798 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3noc4c3COc3ccccc3-4)cc2)CC1 ZINC000020484797 568612912 /nfs/dbraw/zinc/61/29/12/568612912.db2.gz YFAGJHQBDPIBHE-UHFFFAOYSA-N 1 1 418.497 3.624 50 0 HHAAMO COc1ccc(-c2nc(COC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)cs2)cc1 ZINC000095454618 568616379 /nfs/dbraw/zinc/61/63/79/568616379.db2.gz RZPRBIXCFOWCIK-LJQANCHMSA-N 1 1 402.516 3.505 50 0 HHAAMO C[C@H]1CCCCN1c1cc(C(=O)Nc2cccc(CC[NH+]3CCN(C)CC3)c2)ccn1 ZINC000095457796 568618787 /nfs/dbraw/zinc/61/87/87/568618787.db2.gz YYJMSBNUBYZPMA-FQEVSTJZSA-N 1 1 421.589 3.503 50 0 HHAAMO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762592 568642683 /nfs/dbraw/zinc/64/26/83/568642683.db2.gz RTSCTICDMHXMOB-RXVVDRJESA-N 1 1 409.578 3.711 50 0 biogenic HHAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C)cc2C(C)(C)C)CC1 ZINC000020807289 568643931 /nfs/dbraw/zinc/64/39/31/568643931.db2.gz HHQANAICXIDAJO-FQEVSTJZSA-N 1 1 412.574 3.863 50 0 HHAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000095948745 568665722 /nfs/dbraw/zinc/66/57/22/568665722.db2.gz VGTAGFOMGUVKJL-UHFFFAOYSA-N 1 1 407.499 3.600 50 0 HHAAMO Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c1C ZINC000021171671 568676408 /nfs/dbraw/zinc/67/64/08/568676408.db2.gz RYTUGLJGFFPBPZ-FQEVSTJZSA-N 1 1 418.541 3.506 50 0 HHAAMO Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c(C)c1 ZINC000021172387 568676712 /nfs/dbraw/zinc/67/67/12/568676712.db2.gz OKVGQXHCPSFWTA-FQEVSTJZSA-N 1 1 418.541 3.506 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114036 568693736 /nfs/dbraw/zinc/69/37/36/568693736.db2.gz BMNPEPNKPALZFA-QGZVFWFLSA-N 1 1 410.514 3.998 50 0 biogenic HHAAMO Cc1nc(-c2cccc(NC(=O)CN3CC[NH+](Cc4cccs4)CC3)c2)cs1 ZINC000096124608 568700930 /nfs/dbraw/zinc/70/09/30/568700930.db2.gz IFFNWLMKBBHVPV-UHFFFAOYSA-N 1 1 412.584 3.936 50 0 HHAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000021527970 568709606 /nfs/dbraw/zinc/70/96/06/568709606.db2.gz COYKSYZETPNGII-UHFFFAOYSA-N 1 1 419.569 3.769 50 0 HHAAMO CNC(=O)Cc1nc(C[N@@H+]2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)cs1 ZINC000438484017 568723419 /nfs/dbraw/zinc/72/34/19/568723419.db2.gz GSSRHSQXCUNKHC-OAQYLSRUSA-N 1 1 413.587 3.947 50 0 HHAAMO CNC(=O)Cc1nc(C[N@H+]2Cc3cc(OC)ccc3C[C@@H]2C2CCCCC2)cs1 ZINC000438484017 568723422 /nfs/dbraw/zinc/72/34/22/568723422.db2.gz GSSRHSQXCUNKHC-OAQYLSRUSA-N 1 1 413.587 3.947 50 0 HHAAMO CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000022460164 568768405 /nfs/dbraw/zinc/76/84/05/568768405.db2.gz YAMIJFKDDSLKMU-UTKZUKDTSA-N 1 1 401.576 3.644 50 0 HHAAMO CC(C)c1cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000025407693 568768605 /nfs/dbraw/zinc/76/86/05/568768605.db2.gz FKYZFXQXVQLZKV-CALCHBBNSA-N 1 1 415.582 3.753 50 0 HHAAMO CC(C)c1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000025407693 568768606 /nfs/dbraw/zinc/76/86/06/568768606.db2.gz FKYZFXQXVQLZKV-CALCHBBNSA-N 1 1 415.582 3.753 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055748713 568782964 /nfs/dbraw/zinc/78/29/64/568782964.db2.gz QBVKBHYCCRSXQX-IXDOHACOSA-N 1 1 402.970 3.989 50 0 HHAAMO COc1ccc(NC(=O)[C@H]([NH2+]CCC(=O)N2CCCC2)c2ccccc2)cc1Cl ZINC000055941487 568784640 /nfs/dbraw/zinc/78/46/40/568784640.db2.gz BBUCNBMQHXWPSY-OAQYLSRUSA-N 1 1 415.921 3.631 50 0 HHAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCOCCO)cc1 ZINC000002715215 568802396 /nfs/dbraw/zinc/80/23/96/568802396.db2.gz ZUPPCZPRJIFAIQ-UHFFFAOYSA-N 1 1 418.497 3.907 50 0 HHAAMO O=C(CC[NH2+][C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)N1CCCC1 ZINC000057157754 568824841 /nfs/dbraw/zinc/82/48/41/568824841.db2.gz QZEFVTBKYGMYRK-FQEVSTJZSA-N 1 1 419.447 3.987 50 0 HHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075707 568831342 /nfs/dbraw/zinc/83/13/42/568831342.db2.gz AOXTZJPERMEUKV-RTWAWAEBSA-N 1 1 413.587 3.897 50 0 HHAAMO CCc1ccc([C@@H]2NC(=O)N=C(C[N@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415152 568833710 /nfs/dbraw/zinc/83/37/10/568833710.db2.gz DZWDAOIHVIIFLB-QFIPXVFZSA-N 1 1 407.514 3.552 50 0 HHAAMO CCc1ccc([C@@H]2NC(=O)N=C(C[N@@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415152 568833711 /nfs/dbraw/zinc/83/37/11/568833711.db2.gz DZWDAOIHVIIFLB-QFIPXVFZSA-N 1 1 407.514 3.552 50 0 HHAAMO CCCCn1c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000057435041 568836708 /nfs/dbraw/zinc/83/67/08/568836708.db2.gz BCSDKAYLEIURFY-CYBMUJFWSA-N 1 1 422.501 3.613 50 0 HHAAMO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000012526090 568843073 /nfs/dbraw/zinc/84/30/73/568843073.db2.gz JIOZDNAHWQNLIR-LJQANCHMSA-N 1 1 423.966 3.524 50 0 HHAAMO O=C(Cn1c2ccccc2nc1-c1cscn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012537554 568846187 /nfs/dbraw/zinc/84/61/87/568846187.db2.gz WNAOHKDBGFXVMJ-UHFFFAOYSA-N 1 1 417.538 3.504 50 0 HHAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 ZINC000012551715 568853491 /nfs/dbraw/zinc/85/34/91/568853491.db2.gz MAAWJXQCPOIWJF-UHFFFAOYSA-N 1 1 410.518 3.940 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230209438 568854827 /nfs/dbraw/zinc/85/48/27/568854827.db2.gz LRAADKDNNOIIOU-UPVQGACJSA-N 1 1 408.590 3.862 50 0 biogenic HHAAMO C[N@@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000030029356 568856884 /nfs/dbraw/zinc/85/68/84/568856884.db2.gz UQXXUZQUPXYOKE-SFHVURJKSA-N 1 1 402.420 3.570 50 0 HHAAMO C[N@H+]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000030029356 568856885 /nfs/dbraw/zinc/85/68/85/568856885.db2.gz UQXXUZQUPXYOKE-SFHVURJKSA-N 1 1 402.420 3.570 50 0 HHAAMO CC(=O)c1cc2c(cc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1)OCO2 ZINC000057672208 568858020 /nfs/dbraw/zinc/85/80/20/568858020.db2.gz KQIGHOYRKCIWIA-UHFFFAOYSA-N 1 1 402.450 3.936 50 0 HHAAMO CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CC[N@H+](CC)C2 ZINC000004059372 568881012 /nfs/dbraw/zinc/88/10/12/568881012.db2.gz YILYIDOGPLPCTM-UHFFFAOYSA-N 1 1 401.532 3.621 50 0 HHAAMO CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000004059372 568881013 /nfs/dbraw/zinc/88/10/13/568881013.db2.gz YILYIDOGPLPCTM-UHFFFAOYSA-N 1 1 401.532 3.621 50 0 HHAAMO CCCCOc1cc(C[NH2+]C[C@H](CN(C)C)[C@H](O)c2ccccc2)ccc1OC ZINC000058152307 568892843 /nfs/dbraw/zinc/89/28/43/568892843.db2.gz ONXPXLPXAIUGHR-ZJSXRUAMSA-N 1 1 400.563 3.875 50 0 HHAAMO C[NH+](C)Cc1nc2ccccc2c(SCC(=O)NCc2ccc(Cl)cc2)n1 ZINC000031619273 568928743 /nfs/dbraw/zinc/92/87/43/568928743.db2.gz STSWQEZTRXZGCO-UHFFFAOYSA-N 1 1 400.935 3.753 50 0 HHAAMO Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000003959371 568930591 /nfs/dbraw/zinc/93/05/91/568930591.db2.gz NCRALVTUDQJLGN-UHFFFAOYSA-N 1 1 424.589 3.773 50 0 HHAAMO C[N@@H+](CCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000012744597 568930850 /nfs/dbraw/zinc/93/08/50/568930850.db2.gz XPCKEYXRZYUJPW-UHFFFAOYSA-N 1 1 415.537 3.722 50 0 HHAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004082585 568939334 /nfs/dbraw/zinc/93/93/34/568939334.db2.gz VLFJMSSAAUTMQU-QHAWAJNXSA-N 1 1 400.519 3.595 50 0 biogenic HHAAMO CC(=O)c1ccc(OCC(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000012753887 568942137 /nfs/dbraw/zinc/94/21/37/568942137.db2.gz CATWOKKIFKGJEH-GJZGRUSLSA-N 1 1 401.532 3.841 50 0 HHAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1Br ZINC000012764348 568947774 /nfs/dbraw/zinc/94/77/74/568947774.db2.gz FEVJZKXELUWNBL-MRXNPFEDSA-N 1 1 419.319 3.595 50 0 HHAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1Br ZINC000012764348 568947776 /nfs/dbraw/zinc/94/77/76/568947776.db2.gz FEVJZKXELUWNBL-MRXNPFEDSA-N 1 1 419.319 3.595 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000670460978 568951780 /nfs/dbraw/zinc/95/17/80/568951780.db2.gz FMWPAMMFJCJUGG-KRWDZBQOSA-N 1 1 417.912 3.897 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000670460978 568951782 /nfs/dbraw/zinc/95/17/82/568951782.db2.gz FMWPAMMFJCJUGG-KRWDZBQOSA-N 1 1 417.912 3.897 50 0 HHAAMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000012775998 568954567 /nfs/dbraw/zinc/95/45/67/568954567.db2.gz BXSQKLGFPQDNGL-SFHVURJKSA-N 1 1 410.543 3.712 50 0 HHAAMO CC[N@@H+](CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccccc1 ZINC000015674167 568963039 /nfs/dbraw/zinc/96/30/39/568963039.db2.gz JOZGMRLWBMTYCV-UHFFFAOYSA-N 1 1 404.514 3.622 50 0 HHAAMO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCC[N@@H+](Cc1ccccc1)C(C)C)O2 ZINC000005069950 568976219 /nfs/dbraw/zinc/97/62/19/568976219.db2.gz GHYLIXUYOIGJSH-QFIPXVFZSA-N 1 1 409.530 3.502 50 0 HHAAMO Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1C ZINC000012810026 568980156 /nfs/dbraw/zinc/98/01/56/568980156.db2.gz BHJRGPNUHUEHPN-RUZDIDTESA-N 1 1 419.500 3.876 50 0 HHAAMO CCOc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)cc(Br)c1OC ZINC000012904507 569021086 /nfs/dbraw/zinc/02/10/86/569021086.db2.gz UJGMGFJAGQRLOQ-GFCCVEGCSA-N 1 1 405.296 3.750 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(Br)c1 ZINC000012928360 569024279 /nfs/dbraw/zinc/02/42/79/569024279.db2.gz GGJIXVNFQZCHHY-UHFFFAOYSA-N 1 1 416.319 3.738 50 0 HHAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517382 569031192 /nfs/dbraw/zinc/03/11/92/569031192.db2.gz PDWOXIQSPTZXEB-NRFANRHFSA-N 1 1 406.511 3.798 50 0 HHAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1Br)c1cc2ccccc2o1 ZINC000575622496 569038927 /nfs/dbraw/zinc/03/89/27/569038927.db2.gz ZGRLEWQTKRBKQT-OAHLLOKOSA-N 1 1 423.332 3.777 50 0 HHAAMO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C ZINC000012977960 569042475 /nfs/dbraw/zinc/04/24/75/569042475.db2.gz WSHRKENQDYHRDV-UHFFFAOYSA-N 1 1 418.950 3.660 50 0 HHAAMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422466 569048250 /nfs/dbraw/zinc/04/82/50/569048250.db2.gz FWZCQWCDPGAPFG-JFIYKMOQSA-N 1 1 412.500 3.696 50 0 HHAAMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422466 569048251 /nfs/dbraw/zinc/04/82/51/569048251.db2.gz FWZCQWCDPGAPFG-JFIYKMOQSA-N 1 1 412.500 3.696 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000089272184 569053889 /nfs/dbraw/zinc/05/38/89/569053889.db2.gz JBYNMQRWNBWKCN-JKSUJKDBSA-N 1 1 416.522 3.870 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000089272184 569053890 /nfs/dbraw/zinc/05/38/90/569053890.db2.gz JBYNMQRWNBWKCN-JKSUJKDBSA-N 1 1 416.522 3.870 50 0 HHAAMO COc1ccc(C(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000064450174 569062790 /nfs/dbraw/zinc/06/27/90/569062790.db2.gz NVLKCRSXZFZRQM-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO C[NH+]1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000064677243 569081512 /nfs/dbraw/zinc/08/15/12/569081512.db2.gz QOIZOVVOXHMVRI-UHFFFAOYSA-N 1 1 400.935 3.706 50 0 HHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)cc1 ZINC000036101910 569091704 /nfs/dbraw/zinc/09/17/04/569091704.db2.gz WISGNRLFAGCNKS-NRFANRHFSA-N 1 1 409.482 3.897 50 0 HHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)cc1 ZINC000036101912 569091780 /nfs/dbraw/zinc/09/17/80/569091780.db2.gz WISGNRLFAGCNKS-OAQYLSRUSA-N 1 1 409.482 3.897 50 0 HHAAMO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036250229 569119191 /nfs/dbraw/zinc/11/91/91/569119191.db2.gz YMYFFPRQGIFMJJ-REWPJTCUSA-N 1 1 411.590 3.713 50 0 HHAAMO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000036310919 569132077 /nfs/dbraw/zinc/13/20/77/569132077.db2.gz MUNTUYIESUNSOK-NRFANRHFSA-N 1 1 400.567 3.572 50 0 HHAAMO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036340908 569141726 /nfs/dbraw/zinc/14/17/26/569141726.db2.gz FPQVHYBKIGPQLL-QFIPXVFZSA-N 1 1 410.949 3.574 50 0 HHAAMO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)C1 ZINC000036384491 569159135 /nfs/dbraw/zinc/15/91/35/569159135.db2.gz WLJIYGVHGCUBIC-ZIAGYGMSSA-N 1 1 407.605 3.558 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)C1 ZINC000036384491 569159136 /nfs/dbraw/zinc/15/91/36/569159136.db2.gz WLJIYGVHGCUBIC-ZIAGYGMSSA-N 1 1 407.605 3.558 50 0 HHAAMO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)CC1 ZINC000065241409 569204104 /nfs/dbraw/zinc/20/41/04/569204104.db2.gz MAXTYJCZFBLITB-UHFFFAOYSA-N 1 1 424.570 3.769 50 0 HHAAMO Cc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245491 569205185 /nfs/dbraw/zinc/20/51/85/569205185.db2.gz BNIJOGBMEMRYIE-UHFFFAOYSA-N 1 1 403.526 3.746 50 0 HHAAMO CC[N@@H+](CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O)Cc1ccccc1 ZINC000065245556 569205322 /nfs/dbraw/zinc/20/53/22/569205322.db2.gz CEGBICXYSXMYGI-UHFFFAOYSA-N 1 1 407.514 3.520 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1ccc(F)cc1 ZINC000065296299 569218848 /nfs/dbraw/zinc/21/88/48/569218848.db2.gz FRHSSUXAYLUXCX-HXUWFJFHSA-N 1 1 409.509 3.920 50 0 HHAAMO CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708853 569223849 /nfs/dbraw/zinc/22/38/49/569223849.db2.gz BLSONNWYRNNHBV-UHFFFAOYSA-N 1 1 420.513 3.564 50 0 HHAAMO CS(=O)(=O)c1ccc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065562897 569234186 /nfs/dbraw/zinc/23/41/86/569234186.db2.gz YAINFAPMICSATK-FQEVSTJZSA-N 1 1 414.552 3.787 50 0 HHAAMO CS(=O)(=O)c1ccc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065562897 569234187 /nfs/dbraw/zinc/23/41/87/569234187.db2.gz YAINFAPMICSATK-FQEVSTJZSA-N 1 1 414.552 3.787 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 ZINC000007362270 569235412 /nfs/dbraw/zinc/23/54/12/569235412.db2.gz SKBNKVJDCVIMQW-QFIPXVFZSA-N 1 1 404.510 3.911 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 ZINC000007362270 569235414 /nfs/dbraw/zinc/23/54/14/569235414.db2.gz SKBNKVJDCVIMQW-QFIPXVFZSA-N 1 1 404.510 3.911 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000007443620 569239247 /nfs/dbraw/zinc/23/92/47/569239247.db2.gz XMUMPVWAYLZLJU-CQSZACIVSA-N 1 1 416.319 3.645 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000007443620 569239248 /nfs/dbraw/zinc/23/92/48/569239248.db2.gz XMUMPVWAYLZLJU-CQSZACIVSA-N 1 1 416.319 3.645 50 0 HHAAMO C[NH+](C)Cc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1Br ZINC000170604617 569243969 /nfs/dbraw/zinc/24/39/69/569243969.db2.gz CIQKFYRYBGXDHD-UHFFFAOYSA-N 1 1 424.383 3.734 50 0 HHAAMO CCc1cccc2c(CC(=O)N(C)C3CCN(c4cc(C)[nH+]c(C)n4)CC3)c[nH]c21 ZINC000170623454 569249785 /nfs/dbraw/zinc/24/97/85/569249785.db2.gz MLOARIHWHNUWCS-UHFFFAOYSA-N 1 1 405.546 3.807 50 0 HHAAMO Cc1cccc(NC2CCN(C(=O)CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)[nH+]1 ZINC000089688955 569262457 /nfs/dbraw/zinc/26/24/57/569262457.db2.gz AXFZBTTVXOMEFW-SFHVURJKSA-N 1 1 416.566 3.830 50 0 HHAAMO Cc1c[nH+]cn1CCCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000089702459 569262800 /nfs/dbraw/zinc/26/28/00/569262800.db2.gz UPKFTMRDIURTDN-UHFFFAOYSA-N 1 1 411.506 3.919 50 0 HHAAMO Cc1[nH+]c(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c2ccccn12 ZINC000089708984 569262839 /nfs/dbraw/zinc/26/28/39/569262839.db2.gz ZDLYZFDDMVHNFJ-UHFFFAOYSA-N 1 1 403.813 3.793 50 0 HHAAMO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)c1noc([C@@H](C2CC2)[NH+](C)C)n1 ZINC000252499993 569290923 /nfs/dbraw/zinc/29/09/23/569290923.db2.gz SLKZYRPWVDKMDE-IAGOWNOFSA-N 1 1 402.495 3.705 50 0 HHAAMO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 ZINC000027906432 569409493 /nfs/dbraw/zinc/40/94/93/569409493.db2.gz PRPDUDNBOMQDCJ-IBGZPJMESA-N 1 1 409.486 3.505 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1Cl ZINC000008900108 571143646 /nfs/dbraw/zinc/14/36/46/571143646.db2.gz GHQKJMRNUWIVEC-MRXNPFEDSA-N 1 1 400.953 3.526 50 0 HHAAMO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c1 ZINC000008901121 571144721 /nfs/dbraw/zinc/14/47/21/571144721.db2.gz MMBKOIVXTMPYOB-SFHVURJKSA-N 1 1 424.588 3.661 50 0 HHAAMO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000040104480 571165420 /nfs/dbraw/zinc/16/54/20/571165420.db2.gz DUBPWHWSCJJALF-QFIPXVFZSA-N 1 1 422.529 3.594 50 0 HHAAMO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000040104480 571165422 /nfs/dbraw/zinc/16/54/22/571165422.db2.gz DUBPWHWSCJJALF-QFIPXVFZSA-N 1 1 422.529 3.594 50 0 HHAAMO Cc1cc(NC(=O)CSCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000040115613 571173398 /nfs/dbraw/zinc/17/33/98/571173398.db2.gz JOHHMXWRWWUASS-HNNXBMFYSA-N 1 1 416.547 3.525 50 0 HHAAMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000040120326 571176394 /nfs/dbraw/zinc/17/63/94/571176394.db2.gz XWWPXAIZTUYQID-GVDBMIGSSA-N 1 1 401.576 3.583 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000040131306 571183597 /nfs/dbraw/zinc/18/35/97/571183597.db2.gz DHXXBCLGCAPLMM-VWLOTQADSA-N 1 1 416.521 3.955 50 0 HHAAMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000040150037 571198514 /nfs/dbraw/zinc/19/85/14/571198514.db2.gz BMDFZRATMIRXRR-JOCHJYFZSA-N 1 1 409.530 3.688 50 0 HHAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)cn2)CC1 ZINC000040152043 571199831 /nfs/dbraw/zinc/19/98/31/571199831.db2.gz MQXVHNNBJOMXFT-UHFFFAOYSA-N 1 1 416.525 3.946 50 0 HHAAMO CC(C)N(C[C@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1)C(=O)OC(C)(C)C ZINC000040152866 571200664 /nfs/dbraw/zinc/20/06/64/571200664.db2.gz OHYOJIFDNPDJRO-KRWDZBQOSA-N 1 1 409.596 3.722 50 0 HHAAMO CC(C)N(C[C@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1)C(=O)OC(C)(C)C ZINC000040152866 571200668 /nfs/dbraw/zinc/20/06/68/571200668.db2.gz OHYOJIFDNPDJRO-KRWDZBQOSA-N 1 1 409.596 3.722 50 0 HHAAMO CC(C)N(C[C@@H]1CCC[N@H+](CN2C(=O)CC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000040155464 571202583 /nfs/dbraw/zinc/20/25/83/571202583.db2.gz JURANNRUNZESDJ-GOSISDBHSA-N 1 1 421.582 3.621 50 0 HHAAMO CC(C)N(C[C@@H]1CCC[N@@H+](CN2C(=O)CC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000040155464 571202584 /nfs/dbraw/zinc/20/25/84/571202584.db2.gz JURANNRUNZESDJ-GOSISDBHSA-N 1 1 421.582 3.621 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1CC ZINC000245264321 571221617 /nfs/dbraw/zinc/22/16/17/571221617.db2.gz CSWRRAGLJKEZNX-ICSRJNTNSA-N 1 1 415.534 3.521 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1CC ZINC000245264321 571221620 /nfs/dbraw/zinc/22/16/20/571221620.db2.gz CSWRRAGLJKEZNX-ICSRJNTNSA-N 1 1 415.534 3.521 50 0 HHAAMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352135 571223031 /nfs/dbraw/zinc/22/30/31/571223031.db2.gz MXIACQKIYDHCLK-YJBOKZPZSA-N 1 1 402.336 3.934 50 0 HHAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCO3)C[N@H+](C(C)C)CC2 ZINC000009174645 571234314 /nfs/dbraw/zinc/23/43/14/571234314.db2.gz AIRRTYXWMMSQPL-UHFFFAOYSA-N 1 1 416.499 3.672 50 0 HHAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCO3)C[N@@H+](C(C)C)CC2 ZINC000009174645 571234315 /nfs/dbraw/zinc/23/43/15/571234315.db2.gz AIRRTYXWMMSQPL-UHFFFAOYSA-N 1 1 416.499 3.672 50 0 HHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COCC13CC4CC(CC(C4)C1)C3)CC2 ZINC000010384069 571301710 /nfs/dbraw/zinc/30/17/10/571301710.db2.gz OQELHBPUHZQENY-VBSWXYJSSA-N 1 1 415.574 3.656 50 0 HHAAMO CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716731 571316352 /nfs/dbraw/zinc/31/63/52/571316352.db2.gz OOEVUBROORSHKM-PMACEKPBSA-N 1 1 414.521 3.893 50 0 HHAAMO COCCN(C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1ccccc1OC)C(C)=O ZINC000034740615 571316502 /nfs/dbraw/zinc/31/65/02/571316502.db2.gz ZZIPQWFPWLQCEV-PZJWPPBQSA-N 1 1 416.587 3.776 50 0 HHAAMO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871503 571317113 /nfs/dbraw/zinc/31/71/13/571317113.db2.gz HYJDCEDDPYFPOB-UYAOXDASSA-N 1 1 407.480 3.590 50 0 HHAAMO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000011784283 962190876 /nfs/dbraw/zinc/19/08/76/962190876.db2.gz AMRHSHCXFPAKSN-NRFANRHFSA-N 1 1 421.545 3.820 50 0 HHAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)[nH]n1 ZINC000011934796 962210459 /nfs/dbraw/zinc/21/04/59/962210459.db2.gz SQQAOBPPPWUNQG-GOSISDBHSA-N 1 1 406.534 3.645 50 0 HHAAMO O=C(c1cscn1)N1CCOc2ccc(C[N@H+]3CCc4ccccc4C3)cc2C1 ZINC000012035896 962224995 /nfs/dbraw/zinc/22/49/95/962224995.db2.gz NQGZVVGEYMBTLQ-UHFFFAOYSA-N 1 1 405.523 3.736 50 0 HHAAMO C[C@@H](c1ccon1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012041239 962226142 /nfs/dbraw/zinc/22/61/42/962226142.db2.gz YOHOSSXKWIEJSP-ZFWWWQNUSA-N 1 1 405.882 3.631 50 0 HHAAMO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012218715 962256166 /nfs/dbraw/zinc/25/61/66/962256166.db2.gz OPWYJCANLDKKDT-INIZCTEOSA-N 1 1 424.570 3.789 50 0 HHAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2)C(C)C ZINC000012244632 962257174 /nfs/dbraw/zinc/25/71/74/962257174.db2.gz NZSSLEPOFBQRNP-QHCPKHFHSA-N 1 1 421.545 3.820 50 0 HHAAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2)C(C)C ZINC000012244633 962257545 /nfs/dbraw/zinc/25/75/45/962257545.db2.gz NZSSLEPOFBQRNP-HSZRJFAPSA-N 1 1 421.545 3.820 50 0 HHAAMO O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1C[N@H+](C1CCCC1)CC2 ZINC000014534649 962524416 /nfs/dbraw/zinc/52/44/16/962524416.db2.gz VYYWPARZHMJWQG-UHFFFAOYSA-N 1 1 421.570 3.619 50 0 HHAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014733159 962563695 /nfs/dbraw/zinc/56/36/95/962563695.db2.gz NPFNIZVWTIHQMC-VQTJNVASSA-N 1 1 411.521 3.797 50 0 HHAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NC2CCCCC2)C1 ZINC000014754896 962569354 /nfs/dbraw/zinc/56/93/54/962569354.db2.gz LHANVLGDTKUOCP-ZWKOTPCHSA-N 1 1 403.542 3.807 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCC(=O)N(Cc3ccccc3F)CC2)cc1OC ZINC000014955488 962612923 /nfs/dbraw/zinc/61/29/23/962612923.db2.gz JFXOAQYMPNMJFX-HXUWFJFHSA-N 1 1 414.521 3.899 50 0 HHAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](C4CSCCSC4)C3)C2)c1 ZINC000019223842 963357647 /nfs/dbraw/zinc/35/76/47/963357647.db2.gz AAJUNGJCRPNMJH-OAQYLSRUSA-N 1 1 410.624 3.971 50 0 HHAAMO COc1ccc(CN2CC[N@H+](C3C4CC5CC(C4)CC3C5)C[C@@H]2CCO)c(F)c1 ZINC000019792479 963375169 /nfs/dbraw/zinc/37/51/69/963375169.db2.gz XCFGTCMPOKXCJK-NENJFKCLSA-N 1 1 402.554 3.528 50 0 HHAAMO CCCn1ncc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020212494 963386214 /nfs/dbraw/zinc/38/62/14/963386214.db2.gz GFPBNXAIJQTLAC-QFIPXVFZSA-N 1 1 414.594 3.758 50 0 HHAAMO CCOCc1cc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)ccc1OC ZINC000020351563 963387466 /nfs/dbraw/zinc/38/74/66/963387466.db2.gz NZYMIKFQMFWQBR-DEOSSOPVSA-N 1 1 412.574 3.609 50 0 HHAAMO CCOc1ccc2nc(N3CCC([N@@H+]4CC[C@H](N(CC)CC)C4)CC3)nc(C)c2c1 ZINC000020998965 963410823 /nfs/dbraw/zinc/41/08/23/963410823.db2.gz RIATUHRRKOIFDC-FQEVSTJZSA-N 1 1 411.594 3.722 50 0 HHAAMO CCOc1ccc2nc(N3CCC([N@H+]4CC[C@H](N(CC)CC)C4)CC3)nc(C)c2c1 ZINC000020998965 963410831 /nfs/dbraw/zinc/41/08/31/963410831.db2.gz RIATUHRRKOIFDC-FQEVSTJZSA-N 1 1 411.594 3.722 50 0 HHAAMO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912925 963738183 /nfs/dbraw/zinc/73/81/83/963738183.db2.gz VNEUDZZNNUUXDR-FQEVSTJZSA-N 1 1 411.550 3.617 50 0 HHAAMO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912925 963738187 /nfs/dbraw/zinc/73/81/87/963738187.db2.gz VNEUDZZNNUUXDR-FQEVSTJZSA-N 1 1 411.550 3.617 50 0 HHAAMO O=C1CC[C@@H]([NH+]2CCN(C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1F ZINC000023359050 963807274 /nfs/dbraw/zinc/80/72/74/963807274.db2.gz SNBDJDAOXPDRLC-OAQYLSRUSA-N 1 1 405.533 3.796 50 0 HHAAMO O=C(c1ccoc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055370884 965832894 /nfs/dbraw/zinc/83/28/94/965832894.db2.gz SROPDRULSDXHKJ-LJQANCHMSA-N 1 1 407.436 3.725 50 0 HHAAMO C[C@@H]1C[N@@H+](CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000039510068 966495093 /nfs/dbraw/zinc/49/50/93/966495093.db2.gz GEAJAEVKGHTLRC-UZLBHIALSA-N 1 1 402.922 3.505 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104374979 969201356 /nfs/dbraw/zinc/20/13/56/969201356.db2.gz FMCQCQCOAYGEEY-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO COc1ccc(Br)cc1/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000229758586 970132492 /nfs/dbraw/zinc/13/24/92/970132492.db2.gz NHXAWUJWNSRJRI-SCEWNMGZSA-N 1 1 415.331 3.986 50 0 HHAAMO COc1ccc(Br)cc1/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000229758586 970132496 /nfs/dbraw/zinc/13/24/96/970132496.db2.gz NHXAWUJWNSRJRI-SCEWNMGZSA-N 1 1 415.331 3.986 50 0 HHAAMO Cc1cccc(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCOCC3)C2)c1 ZINC000169764974 970472913 /nfs/dbraw/zinc/47/29/13/970472913.db2.gz AJWYLVHUWXJDDS-JOCHJYFZSA-N 1 1 408.542 3.758 50 0 HHAAMO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)C1CC1)[C@@H]23)Nc1ccccc1 ZINC000257186412 970621362 /nfs/dbraw/zinc/62/13/62/970621362.db2.gz KKBDEBJRRPLBBN-BQUSRXHISA-N 1 1 409.574 3.907 50 0 HHAAMO Cc1ccsc1C[N@H+]1CCC[C@H](c2nc(CCOCC3CCOCC3)no2)C1 ZINC000257189606 970623843 /nfs/dbraw/zinc/62/38/43/970623843.db2.gz JCZYWFXEGMCFJG-SFHVURJKSA-N 1 1 405.564 3.805 50 0 HHAAMO COCc1cn(C[C@@H]2CCC[N@@H+](Cc3cn(C(C)C)c4ccc(OC)cc34)C2)nn1 ZINC000257192200 970625117 /nfs/dbraw/zinc/62/51/17/970625117.db2.gz QIZVZYXMTFIVLB-GOSISDBHSA-N 1 1 411.550 3.881 50 0 HHAAMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)CCNC(=O)CC2)c1 ZINC000257196654 970626331 /nfs/dbraw/zinc/62/63/31/970626331.db2.gz YPKSLTTYPJENDR-FQEVSTJZSA-N 1 1 419.529 3.716 50 0 HHAAMO CCn1cc(CN2CCOc3ccc(C[N@@H+](C)CCc4ccccn4)cc3C2)c(C)n1 ZINC000299781014 970724035 /nfs/dbraw/zinc/72/40/35/970724035.db2.gz WFCQYHAUKYHBFT-UHFFFAOYSA-N 1 1 419.573 3.676 50 0 HHAAMO O=C(NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)c1onc2c1CCCC2 ZINC000426434877 974446707 /nfs/dbraw/zinc/44/67/07/974446707.db2.gz QVJGZIWRZUTHNA-QHCPKHFHSA-N 1 1 417.509 3.919 50 0 HHAAMO O=C(NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)c1onc2c1CCCC2 ZINC000426434877 974446711 /nfs/dbraw/zinc/44/67/11/974446711.db2.gz QVJGZIWRZUTHNA-QHCPKHFHSA-N 1 1 417.509 3.919 50 0 HHAAMO Clc1ccc2[nH]c3c(ncnc3N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000002195957 132249297 /nfs/dbraw/zinc/24/92/97/132249297.db2.gz JLMGKCQVLJZOED-UHFFFAOYSA-N 1 1 421.888 3.815 50 0 HHAAMO O[C@H](COc1ccc2oc3ccccc3c2c1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006455281 132311194 /nfs/dbraw/zinc/31/11/94/132311194.db2.gz BPHRRBAOCLNPQP-SFHVURJKSA-N 1 1 403.482 3.543 50 0 HHAAMO COc1cc2c(cc1C[NH2+]Cc1cccnc1N1CCc3ccccc3C1)OCO2 ZINC000015080728 132461316 /nfs/dbraw/zinc/46/13/16/132461316.db2.gz YPDLDUPLSZQZPL-UHFFFAOYSA-N 1 1 403.482 3.671 50 0 HHAAMO Brc1cccc(-c2nnc(CN3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000020177810 518218104 /nfs/dbraw/zinc/21/81/04/518218104.db2.gz XFZNHWMUDWTDQT-UHFFFAOYSA-N 1 1 413.319 3.817 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557932 520508782 /nfs/dbraw/zinc/50/87/82/520508782.db2.gz VVTIHSIMEIVWEJ-NRFANRHFSA-N 1 1 411.477 3.519 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557932 520508786 /nfs/dbraw/zinc/50/87/86/520508786.db2.gz VVTIHSIMEIVWEJ-NRFANRHFSA-N 1 1 411.477 3.519 50 0 HHAAMO CCC(CC)[C@@H](CNC(=O)Cc1csc(-c2ccsc2)n1)[NH+]1CCOCC1 ZINC000032908477 521602790 /nfs/dbraw/zinc/60/27/90/521602790.db2.gz UUQHXKJEBMFDTE-GOSISDBHSA-N 1 1 407.605 3.667 50 0 HHAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959607 522168445 /nfs/dbraw/zinc/16/84/45/522168445.db2.gz ATYAXPDPKWMATM-LJQANCHMSA-N 1 1 424.570 3.824 50 0 HHAAMO COc1cc(NC(=O)c2ccc(C[N@@H+]3CCO[C@H](C)C3)cc2)c(OC)cc1Cl ZINC000032824602 522723819 /nfs/dbraw/zinc/72/38/19/522723819.db2.gz FKZXAJOBZOVTKQ-CQSZACIVSA-N 1 1 404.894 3.830 50 0 HHAAMO COc1cc(NC(=O)c2ccc(C[N@H+]3CCO[C@H](C)C3)cc2)c(OC)cc1Cl ZINC000032824602 522723826 /nfs/dbraw/zinc/72/38/26/522723826.db2.gz FKZXAJOBZOVTKQ-CQSZACIVSA-N 1 1 404.894 3.830 50 0 HHAAMO CN(CCCC[NH+]1CCOCC1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000020598522 522734727 /nfs/dbraw/zinc/73/47/27/522734727.db2.gz XTVWHUDOMAOEPX-UHFFFAOYSA-N 1 1 421.541 3.797 50 0 HHAAMO C[N@@H+](Cc1ccccc1NCCOc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000032851009 523378016 /nfs/dbraw/zinc/37/80/16/523378016.db2.gz MRGVEIGRIPTUJZ-UHFFFAOYSA-N 1 1 417.575 3.589 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)Oc3ccccc3Cl)CC2)cc1 ZINC000032795857 524027067 /nfs/dbraw/zinc/02/70/67/524027067.db2.gz DQCSEFVEFZEVLA-KRWDZBQOSA-N 1 1 402.922 3.850 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355884 526249663 /nfs/dbraw/zinc/24/96/63/526249663.db2.gz GKIRZNSLEGDCFS-ZDUSSCGKSA-N 1 1 422.501 3.668 50 0 HHAAMO O=C(NCc1ccc(F)cc1F)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930055 526676959 /nfs/dbraw/zinc/67/69/59/526676959.db2.gz WROAMOBFQXSAPM-UHFFFAOYSA-N 1 1 412.440 3.543 50 0 HHAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1cccc(Cl)c1 ZINC000019897672 527033590 /nfs/dbraw/zinc/03/35/90/527033590.db2.gz ULHPCNNKDBSCFS-KRWDZBQOSA-N 1 1 424.932 3.542 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC000000755640 557076973 /nfs/dbraw/zinc/07/69/73/557076973.db2.gz RXDPONQDDAGSEL-AWEZNQCLSA-N 1 1 413.356 3.547 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC000000755640 557076978 /nfs/dbraw/zinc/07/69/78/557076978.db2.gz RXDPONQDDAGSEL-AWEZNQCLSA-N 1 1 413.356 3.547 50 0 HHAAMO COC(=O)Cc1c[nH]c2cccc(OC[C@H](O)C[N@@H+](Cc3ccccc3)C(C)C)c12 ZINC000000984516 557131815 /nfs/dbraw/zinc/13/18/15/557131815.db2.gz KNQIJRKKVHHLNF-HXUWFJFHSA-N 1 1 410.514 3.534 50 0 HHAAMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000004177184 557525069 /nfs/dbraw/zinc/52/50/69/557525069.db2.gz KRUXPENPUGDVMQ-HXUWFJFHSA-N 1 1 414.521 3.756 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 ZINC000004772636 557596761 /nfs/dbraw/zinc/59/67/61/557596761.db2.gz FLSSLAIUYYVLRT-JOCHJYFZSA-N 1 1 410.489 3.811 50 0 HHAAMO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c(OC)c1 ZINC000022776554 557816800 /nfs/dbraw/zinc/81/68/00/557816800.db2.gz CKDJPTDDMFSEBJ-UHFFFAOYSA-N 1 1 411.546 3.584 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 ZINC000011662066 558265849 /nfs/dbraw/zinc/26/58/49/558265849.db2.gz BBWDJJLHELVSKY-DEOSSOPVSA-N 1 1 422.504 3.610 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 ZINC000011662067 558265937 /nfs/dbraw/zinc/26/59/37/558265937.db2.gz BBWDJJLHELVSKY-XMMPIXPASA-N 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3.643 50 0 HHAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000011938557 558301933 /nfs/dbraw/zinc/30/19/33/558301933.db2.gz CFQDNYJQZZAFRZ-HXUWFJFHSA-N 1 1 405.542 3.758 50 0 HHAAMO CCOC(=O)N1CCC([N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)CC1 ZINC000011955633 558303571 /nfs/dbraw/zinc/30/35/71/558303571.db2.gz HRPVYDCSOMIUOT-FQEVSTJZSA-N 1 1 417.594 3.502 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011999603 558307955 /nfs/dbraw/zinc/30/79/55/558307955.db2.gz CCTKFPDZSNJPGR-NRFANRHFSA-N 1 1 407.917 3.909 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011999603 558307957 /nfs/dbraw/zinc/30/79/57/558307957.db2.gz CCTKFPDZSNJPGR-NRFANRHFSA-N 1 1 407.917 3.909 50 0 HHAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012024624 558310028 /nfs/dbraw/zinc/31/00/28/558310028.db2.gz GYFHNYOPLYJYQB-INIZCTEOSA-N 1 1 406.933 3.830 50 0 HHAAMO Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c1 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COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[N@H+](C(C)C)CC5)cc1OC ZINC000020330044 558355865 /nfs/dbraw/zinc/35/58/65/558355865.db2.gz XQNQFEVNMCAPIV-UHFFFAOYSA-N 1 1 423.542 3.714 50 0 HHAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012300113 558370098 /nfs/dbraw/zinc/37/00/98/558370098.db2.gz PIAMOPCERBPAIQ-AWEZNQCLSA-N 1 1 424.492 3.859 50 0 HHAAMO CSc1ncc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012300113 558370099 /nfs/dbraw/zinc/37/00/99/558370099.db2.gz PIAMOPCERBPAIQ-AWEZNQCLSA-N 1 1 424.492 3.859 50 0 HHAAMO CSCCC[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012302121 558371867 /nfs/dbraw/zinc/37/18/67/558371867.db2.gz ZCXYARUFIAYZNP-QFIPXVFZSA-N 1 1 403.636 3.576 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)cc1 ZINC000012303692 558373056 /nfs/dbraw/zinc/37/30/56/558373056.db2.gz UXTOBSWROYPEKZ-DQYQWZCESA-N 1 1 414.571 3.789 50 0 HHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCSc2cn[nH]n2)c1 ZINC000012317806 558381171 /nfs/dbraw/zinc/38/11/71/558381171.db2.gz HZHGFCLGUKSWGF-UHFFFAOYSA-N 1 1 406.515 3.548 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020517727 558383161 /nfs/dbraw/zinc/38/31/61/558383161.db2.gz PANHUMAEPJBRCQ-ISPGYRLHSA-N 1 1 409.917 3.942 50 0 HHAAMO COc1ccc(C2(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCCC2)cc1OC ZINC000020729445 558406023 /nfs/dbraw/zinc/40/60/23/558406023.db2.gz BFYUWOHINZFMAF-UHFFFAOYSA-N 1 1 408.542 3.860 50 0 HHAAMO Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012435044 558408837 /nfs/dbraw/zinc/40/88/37/558408837.db2.gz OKPPWGGAVDFNJZ-LJQANCHMSA-N 1 1 403.486 3.823 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](CNC(=O)c4cccnc4)C3)c2)n1 ZINC000012573404 558430068 /nfs/dbraw/zinc/43/00/68/558430068.db2.gz FXSJAHHAYWKJFM-OAQYLSRUSA-N 1 1 403.530 3.526 50 0 HHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000012713541 558453835 /nfs/dbraw/zinc/45/38/35/558453835.db2.gz OUGOFHJTTPSDML-XMMPIXPASA-N 1 1 415.530 3.538 50 0 HHAAMO O[C@@H](COCc1ccco1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022030025 558459076 /nfs/dbraw/zinc/45/90/76/558459076.db2.gz XJARCBWQBOGRIF-HSZRJFAPSA-N 1 1 406.526 3.564 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022411400 558488049 /nfs/dbraw/zinc/48/80/49/558488049.db2.gz ODUPWWNFJQKGHQ-UHFFFAOYSA-N 1 1 403.910 3.760 50 0 HHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000022853611 558517109 /nfs/dbraw/zinc/51/71/09/558517109.db2.gz UNEBJTIMZAWRJQ-QGZVFWFLSA-N 1 1 403.573 3.842 50 0 HHAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000022853611 558517112 /nfs/dbraw/zinc/51/71/12/558517112.db2.gz UNEBJTIMZAWRJQ-QGZVFWFLSA-N 1 1 403.573 3.842 50 0 HHAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000023128944 558536601 /nfs/dbraw/zinc/53/66/01/558536601.db2.gz DUEYJYGKJWDQKJ-XMMPIXPASA-N 1 1 415.537 3.857 50 0 HHAAMO CC(C)CC(=O)Nc1ccnn1C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000023360027 558551857 /nfs/dbraw/zinc/55/18/57/558551857.db2.gz RDAVNICYOINASS-QFIPXVFZSA-N 1 1 409.578 3.779 50 0 HHAAMO CC(C)CC(=O)Nc1ccnn1C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000023360027 558551860 /nfs/dbraw/zinc/55/18/60/558551860.db2.gz RDAVNICYOINASS-QFIPXVFZSA-N 1 1 409.578 3.779 50 0 HHAAMO OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000023360410 558551877 /nfs/dbraw/zinc/55/18/77/558551877.db2.gz ABXUNKFPSUJBEL-QHCPKHFHSA-N 1 1 422.960 3.866 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc1 ZINC000023375507 558554779 /nfs/dbraw/zinc/55/47/79/558554779.db2.gz WNYIEJZEOGQMMJ-IBGZPJMESA-N 1 1 404.938 3.513 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(Cl)c3)C[C@@H]2CCO)cc1 ZINC000023375507 558554782 /nfs/dbraw/zinc/55/47/82/558554782.db2.gz WNYIEJZEOGQMMJ-IBGZPJMESA-N 1 1 404.938 3.513 50 0 HHAAMO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000023505254 558560255 /nfs/dbraw/zinc/56/02/55/558560255.db2.gz HIAHQHKXMWFCRJ-TXEJJXNPSA-N 1 1 424.979 3.650 50 0 HHAAMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000023695381 558568287 /nfs/dbraw/zinc/56/82/87/558568287.db2.gz DOKIZRWFEHKXSF-UHFFFAOYSA-N 1 1 417.557 3.554 50 0 HHAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000024974489 558623630 /nfs/dbraw/zinc/62/36/30/558623630.db2.gz DIEPOBOATGOWGG-IRXDYDNUSA-N 1 1 411.974 3.686 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000024992805 558626335 /nfs/dbraw/zinc/62/63/35/558626335.db2.gz BXXJKGJSEWQENN-INIZCTEOSA-N 1 1 415.921 3.946 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000024992805 558626339 /nfs/dbraw/zinc/62/63/39/558626339.db2.gz BXXJKGJSEWQENN-INIZCTEOSA-N 1 1 415.921 3.946 50 0 HHAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1O ZINC000004525617 558653203 /nfs/dbraw/zinc/65/32/03/558653203.db2.gz PUAMEWTWECUPOF-OAQYLSRUSA-N 1 1 421.522 3.875 50 0 HHAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1O ZINC000004525617 558653204 /nfs/dbraw/zinc/65/32/04/558653204.db2.gz PUAMEWTWECUPOF-OAQYLSRUSA-N 1 1 421.522 3.875 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000014951057 558680986 /nfs/dbraw/zinc/68/09/86/558680986.db2.gz AKVZWAUMWGIDDZ-QHCPKHFHSA-N 1 1 409.486 3.619 50 0 HHAAMO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000027782460 558682258 /nfs/dbraw/zinc/68/22/58/558682258.db2.gz ZGMITKZJMMCSLQ-NSHDSACASA-N 1 1 404.383 3.883 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCCCC2)CC1 ZINC000028293134 558698336 /nfs/dbraw/zinc/69/83/36/558698336.db2.gz DCGXABFRUSSOSI-UHFFFAOYSA-N 1 1 401.595 3.792 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038575 558703993 /nfs/dbraw/zinc/70/39/93/558703993.db2.gz BRSGAGGVNWZGRD-MRXNPFEDSA-N 1 1 417.937 3.644 50 0 HHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038575 558703996 /nfs/dbraw/zinc/70/39/96/558703996.db2.gz BRSGAGGVNWZGRD-MRXNPFEDSA-N 1 1 417.937 3.644 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F ZINC000015067779 558710446 /nfs/dbraw/zinc/71/04/46/558710446.db2.gz KEKNIEFKMHPULN-SFHVURJKSA-N 1 1 408.477 3.871 50 0 HHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000029161920 558710903 /nfs/dbraw/zinc/71/09/03/558710903.db2.gz PJCCOZOSDFNHNM-UHFFFAOYSA-N 1 1 405.464 3.643 50 0 HHAAMO Cc1ccc(OCc2cc(C(=O)NCC[N@H+]3CCC[C@@H](c4ccccc4)C3)no2)cn1 ZINC000015069330 558711651 /nfs/dbraw/zinc/71/16/51/558711651.db2.gz CKZVSHYEGODUDV-HXUWFJFHSA-N 1 1 420.513 3.566 50 0 HHAAMO Cc1ccccc1C(=O)NCCC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000030019693 558726114 /nfs/dbraw/zinc/72/61/14/558726114.db2.gz RZTZJCCZIIPXSO-UHFFFAOYSA-N 1 1 407.558 3.583 50 0 HHAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000015301217 558731198 /nfs/dbraw/zinc/73/11/98/558731198.db2.gz YSUUHOUILIDDKO-IBGZPJMESA-N 1 1 400.906 3.907 50 0 HHAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000015301217 558731200 /nfs/dbraw/zinc/73/12/00/558731200.db2.gz YSUUHOUILIDDKO-IBGZPJMESA-N 1 1 400.906 3.907 50 0 HHAAMO O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000030897811 558744254 /nfs/dbraw/zinc/74/42/54/558744254.db2.gz OGONTRXTHLAEJU-NRFANRHFSA-N 1 1 412.505 3.732 50 0 HHAAMO O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000030897811 558744257 /nfs/dbraw/zinc/74/42/57/558744257.db2.gz OGONTRXTHLAEJU-NRFANRHFSA-N 1 1 412.505 3.732 50 0 HHAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310100 558779866 /nfs/dbraw/zinc/77/98/66/558779866.db2.gz OMJWQLGAFURMFK-JOCHJYFZSA-N 1 1 414.496 3.794 50 0 HHAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310100 558779868 /nfs/dbraw/zinc/77/98/68/558779868.db2.gz OMJWQLGAFURMFK-JOCHJYFZSA-N 1 1 414.496 3.794 50 0 HHAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310101 558780186 /nfs/dbraw/zinc/78/01/86/558780186.db2.gz OMJWQLGAFURMFK-QFIPXVFZSA-N 1 1 414.496 3.794 50 0 HHAAMO O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310101 558780187 /nfs/dbraw/zinc/78/01/87/558780187.db2.gz OMJWQLGAFURMFK-QFIPXVFZSA-N 1 1 414.496 3.794 50 0 HHAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004585921 558781302 /nfs/dbraw/zinc/78/13/02/558781302.db2.gz UFXLININODCTHK-QFIPXVFZSA-N 1 1 404.526 3.838 50 0 HHAAMO COc1cccc(CN2CC[N@H+](C3CCN(c4ccccc4C)CC3)C[C@H]2CCO)c1 ZINC000038149457 558811004 /nfs/dbraw/zinc/81/10/04/558811004.db2.gz GDIWPBQWHPQJDD-XMMPIXPASA-N 1 1 423.601 3.541 50 0 HHAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)cc1 ZINC000048488375 558845558 /nfs/dbraw/zinc/84/55/58/558845558.db2.gz LYLNFELOXWGCAC-UHFFFAOYSA-N 1 1 405.424 3.850 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1 ZINC000055134186 558873687 /nfs/dbraw/zinc/87/36/87/558873687.db2.gz RTFHRWIVSMUJEU-SFHVURJKSA-N 1 1 413.949 3.775 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106223 558873804 /nfs/dbraw/zinc/87/38/04/558873804.db2.gz GGFQNISTEHXNNU-QFIPXVFZSA-N 1 1 423.605 3.860 50 0 HHAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000055568757 558882930 /nfs/dbraw/zinc/88/29/30/558882930.db2.gz CAPFZVDNLCGGMR-POWXATIXSA-N 1 1 419.529 3.632 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055576121 558883170 /nfs/dbraw/zinc/88/31/70/558883170.db2.gz BOIDZSPBIWRGQC-QFIPXVFZSA-N 1 1 415.559 3.595 50 0 HHAAMO CCOC(=O)Nc1ccc2c(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)oc2c1 ZINC000058167019 558907104 /nfs/dbraw/zinc/90/71/04/558907104.db2.gz NPHAOZFIEUTCIZ-UHFFFAOYSA-N 1 1 407.470 3.684 50 0 HHAAMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000071762710 558910306 /nfs/dbraw/zinc/91/03/06/558910306.db2.gz MOCLCKDIZWGCCZ-GEEKYZPCSA-N 1 1 404.942 3.610 50 0 HHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2ccc(Cl)cn21 ZINC000071762710 558910308 /nfs/dbraw/zinc/91/03/08/558910308.db2.gz MOCLCKDIZWGCCZ-GEEKYZPCSA-N 1 1 404.942 3.610 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccco1 ZINC000058251498 558915120 /nfs/dbraw/zinc/91/51/20/558915120.db2.gz CJVIRHSJCKADJQ-MRXNPFEDSA-N 1 1 407.396 3.909 50 0 HHAAMO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000058306344 558918321 /nfs/dbraw/zinc/91/83/21/558918321.db2.gz QHOLZANIEZXAAP-UHFFFAOYSA-N 1 1 423.557 3.546 50 0 HHAAMO CCCC[N@H+]1Cc2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2C1 ZINC000058325550 558919793 /nfs/dbraw/zinc/91/97/93/558919793.db2.gz LBFOPDQFPDQJMO-UHFFFAOYSA-N 1 1 401.532 3.735 50 0 HHAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000058406125 558924551 /nfs/dbraw/zinc/92/45/51/558924551.db2.gz GXEKFWQGFIKXJT-CQSZACIVSA-N 1 1 401.511 3.595 50 0 HHAAMO C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000064015619 558961587 /nfs/dbraw/zinc/96/15/87/558961587.db2.gz XULMGDZYWBLPJW-OAQYLSRUSA-N 1 1 407.539 3.876 50 0 HHAAMO C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000064015619 558961589 /nfs/dbraw/zinc/96/15/89/558961589.db2.gz XULMGDZYWBLPJW-OAQYLSRUSA-N 1 1 407.539 3.876 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000067604028 558988204 /nfs/dbraw/zinc/98/82/04/558988204.db2.gz NIUYCIYTHNTWMD-UHFFFAOYSA-N 1 1 417.916 3.530 50 0 HHAAMO COc1ccc2ccc(OCc3nc(C(=O)N4CC([NH+]5CCCCC5)C4)co3)cc2c1 ZINC000067725428 558991934 /nfs/dbraw/zinc/99/19/34/558991934.db2.gz VCADCXWHOPAHHM-UHFFFAOYSA-N 1 1 421.497 3.726 50 0 HHAAMO CC(C)C(NC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C(C)C ZINC000082087669 559037006 /nfs/dbraw/zinc/03/70/06/559037006.db2.gz GSZSPWNXSPQXTP-NRFANRHFSA-N 1 1 400.611 3.555 50 0 HHAAMO C[C@@H]1CCC[N@@H+](CC2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000033312349 559054760 /nfs/dbraw/zinc/05/47/60/559054760.db2.gz ILWGKUCXWGLHAB-OAHLLOKOSA-N 1 1 402.963 3.753 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000247475643 559070974 /nfs/dbraw/zinc/07/09/74/559070974.db2.gz HBNNDWATDWCNGP-UXHICEINSA-N 1 1 413.512 3.820 50 0 HHAAMO COc1cccc(-c2ccccc2NC(=O)C2CCN(c3cc[nH+]c(N)n3)CC2)c1 ZINC000095500806 559082278 /nfs/dbraw/zinc/08/22/78/559082278.db2.gz BNEBJGHDWDSZEV-UHFFFAOYSA-N 1 1 403.486 3.590 50 0 HHAAMO CC[N@@H+](CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12)Cc1ccccc1 ZINC000005007861 559226728 /nfs/dbraw/zinc/22/67/28/559226728.db2.gz NRRAJGMJMKZPBP-UHFFFAOYSA-N 1 1 423.582 3.659 50 0 HHAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005097307 559245083 /nfs/dbraw/zinc/24/50/83/559245083.db2.gz GCJDGLFVVWWIMP-JOCHJYFZSA-N 1 1 402.535 3.938 50 0 HHAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415027 559251036 /nfs/dbraw/zinc/25/10/36/559251036.db2.gz RNSYTVZHTBTVMV-KNQAVFIVSA-N 1 1 404.599 3.742 50 0 HHAAMO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409415027 559251038 /nfs/dbraw/zinc/25/10/38/559251038.db2.gz RNSYTVZHTBTVMV-KNQAVFIVSA-N 1 1 404.599 3.742 50 0 HHAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)[nH]n1 ZINC000409415027 559251040 /nfs/dbraw/zinc/25/10/40/559251040.db2.gz RNSYTVZHTBTVMV-KNQAVFIVSA-N 1 1 404.599 3.742 50 0 HHAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000004061999 560193379 /nfs/dbraw/zinc/19/33/79/560193379.db2.gz ZDNXZGYMXMNADE-OYDLWJJNSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000004061999 560193381 /nfs/dbraw/zinc/19/33/81/560193381.db2.gz ZDNXZGYMXMNADE-OYDLWJJNSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO Cc1cc(C)n(C[C@@H](C)CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000078875811 560540507 /nfs/dbraw/zinc/54/05/07/560540507.db2.gz WGQVLHSBHVTLQM-FQEVSTJZSA-N 1 1 404.558 3.955 50 0 HHAAMO S=C(NCCC[NH+]1CCOCC1)N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000017457996 560716889 /nfs/dbraw/zinc/71/68/89/560716889.db2.gz LDJKEOYLXNGMOC-OAQYLSRUSA-N 1 1 415.628 3.513 50 0 HHAAMO Oc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000017740239 560724402 /nfs/dbraw/zinc/72/44/02/560724402.db2.gz VVZXOWRISPLFAZ-JOCHJYFZSA-N 1 1 404.510 3.621 50 0 HHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000102746396 560824075 /nfs/dbraw/zinc/82/40/75/560824075.db2.gz KHSPNQFTGFMJJP-VEXUSMLFSA-N 1 1 414.546 3.532 50 0 HHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000102746396 560824077 /nfs/dbraw/zinc/82/40/77/560824077.db2.gz KHSPNQFTGFMJJP-VEXUSMLFSA-N 1 1 414.546 3.532 50 0 HHAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000012072342 560888550 /nfs/dbraw/zinc/88/85/50/560888550.db2.gz JOMLVDKACLEQHV-KRWDZBQOSA-N 1 1 408.502 3.510 50 0 HHAAMO O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022852760 568415595 /nfs/dbraw/zinc/41/55/95/568415595.db2.gz MMGIVIQCYKBKRA-UHFFFAOYSA-N 1 1 416.550 3.950 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCOc3ccc(Cl)cc3)cc2)CC1 ZINC000048289346 568434972 /nfs/dbraw/zinc/43/49/72/568434972.db2.gz VFXGOOCKSRMFPO-UHFFFAOYSA-N 1 1 415.965 3.563 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@@H]1CCOc2ccccc21 ZINC000048325507 568438700 /nfs/dbraw/zinc/43/87/00/568438700.db2.gz PFMVLVPFXJNEQA-WOJBJXKFSA-N 1 1 408.498 3.625 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@@H]1CCOc2ccccc21 ZINC000048325507 568438701 /nfs/dbraw/zinc/43/87/01/568438701.db2.gz PFMVLVPFXJNEQA-WOJBJXKFSA-N 1 1 408.498 3.625 50 0 HHAAMO CCOC(=O)N1CCC(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000048340065 568440244 /nfs/dbraw/zinc/44/02/44/568440244.db2.gz CKSFYSMDDPFRKK-KDURUIRLSA-N 1 1 415.578 3.649 50 0 HHAAMO COC(=O)CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)CC(C)C ZINC000048368995 568442214 /nfs/dbraw/zinc/44/22/14/568442214.db2.gz LQYFWCZZOMGVIX-JOCHJYFZSA-N 1 1 402.560 3.783 50 0 HHAAMO CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000012297058 568463000 /nfs/dbraw/zinc/46/30/00/568463000.db2.gz MCOPMJHEOVPGQW-VQTJNVASSA-N 1 1 401.551 3.706 50 0 biogenic HHAAMO COc1ccccc1[C@H](CNC(=O)/C=C/c1ccc(Br)s1)[NH+](C)C ZINC000021333492 568463210 /nfs/dbraw/zinc/46/32/10/568463210.db2.gz YSUFJLHQSQANGB-GDXASINISA-N 1 1 409.349 3.952 50 0 HHAAMO Cc1ccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2ccco2)cc1C ZINC000020107749 568588178 /nfs/dbraw/zinc/58/81/78/568588178.db2.gz FDHHSLVFZDPIIW-UHFFFAOYSA-N 1 1 400.592 3.733 50 0 HHAAMO COc1cccc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2cccs2)c1 ZINC000020107661 568588233 /nfs/dbraw/zinc/58/82/33/568588233.db2.gz ICQQHUDCPZISJJ-UHFFFAOYSA-N 1 1 418.632 3.593 50 0 HHAAMO Cc1ccccc1NC(=O)C[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095448084 568612502 /nfs/dbraw/zinc/61/25/02/568612502.db2.gz ATKYBXRUJYXFFY-UHFFFAOYSA-N 1 1 412.509 3.949 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489784 568614306 /nfs/dbraw/zinc/61/43/06/568614306.db2.gz BSBVVPSRELWKQF-FQEVSTJZSA-N 1 1 422.573 3.805 50 0 HHAAMO CCc1ccc(C(=O)CCC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)cc1 ZINC000095452162 568615147 /nfs/dbraw/zinc/61/51/47/568615147.db2.gz SNVXFOGMDAWUID-UHFFFAOYSA-N 1 1 402.579 3.809 50 0 HHAAMO C[C@H](CNC(=O)c1csc(Cc2ccccc2)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000095949297 568665900 /nfs/dbraw/zinc/66/59/00/568665900.db2.gz SUULNBWPSKEXMB-LJQANCHMSA-N 1 1 420.582 3.674 50 0 HHAAMO CN(C)C(=O)C1CC[NH+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)CC1 ZINC000095966230 568670823 /nfs/dbraw/zinc/67/08/23/568670823.db2.gz YGEIHRISGFAODU-NRFANRHFSA-N 1 1 404.507 3.795 50 0 HHAAMO CN(C(=O)C[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nccs1 ZINC000096012776 568685130 /nfs/dbraw/zinc/68/51/30/568685130.db2.gz MORQTFKGTOLBHH-GOSISDBHSA-N 1 1 408.518 3.589 50 0 HHAAMO Cc1cc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)nn1C ZINC000096183704 568702907 /nfs/dbraw/zinc/70/29/07/568702907.db2.gz IWELUDVCTFXHBD-XMMPIXPASA-N 1 1 402.542 3.893 50 0 HHAAMO CC1(C)CC(=O)N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000096183620 568702944 /nfs/dbraw/zinc/70/29/44/568702944.db2.gz XETUMLNDZABIIT-UHFFFAOYSA-N 1 1 419.569 3.826 50 0 HHAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535453 568711937 /nfs/dbraw/zinc/71/19/37/568711937.db2.gz QZSJRZYHYVKOJN-UHFFFAOYSA-N 1 1 418.611 3.561 50 0 HHAAMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000229745262 568715143 /nfs/dbraw/zinc/71/51/43/568715143.db2.gz XWWPXAIZTUYQID-ULQDDVLXSA-N 1 1 401.576 3.583 50 0 HHAAMO O=C(CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1 ZINC000028900889 568764545 /nfs/dbraw/zinc/76/45/45/568764545.db2.gz LHVROHGACMXYLQ-UHFFFAOYSA-N 1 1 410.415 3.780 50 0 HHAAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1ccccc1F ZINC000022577766 568770209 /nfs/dbraw/zinc/77/02/09/568770209.db2.gz OLWNOYYYOFGWJG-UHFFFAOYSA-N 1 1 408.473 3.676 50 0 HHAAMO O=C(COc1ccc2ccccc2c1)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997354 568822396 /nfs/dbraw/zinc/82/23/96/568822396.db2.gz JYIBPLBAMJKLCM-UHFFFAOYSA-N 1 1 423.944 3.810 50 0 HHAAMO Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000057395673 568831553 /nfs/dbraw/zinc/83/15/53/568831553.db2.gz IQRDWKONIKINQK-XMMPIXPASA-N 1 1 405.473 3.568 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478407 568839736 /nfs/dbraw/zinc/83/97/36/568839736.db2.gz TVELQLYLOVJXOR-QHCPKHFHSA-N 1 1 421.541 3.942 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478407 568839737 /nfs/dbraw/zinc/83/97/37/568839737.db2.gz TVELQLYLOVJXOR-QHCPKHFHSA-N 1 1 421.541 3.942 50 0 HHAAMO CCN(CC)P(=NC(=S)N1CC[NH+](CC)CC1)(c1ccccc1)N(CC)CC ZINC000057638068 568856754 /nfs/dbraw/zinc/85/67/54/568856754.db2.gz WNTQDSQNGWWVFT-UHFFFAOYSA-N 1 1 423.611 3.949 50 0 HHAAMO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617549 568872121 /nfs/dbraw/zinc/87/21/21/568872121.db2.gz YBMMTGPAAXNDSS-DOTOQJQBSA-N 1 1 423.538 3.909 50 0 HHAAMO O=C1c2ccccc2CN1CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299764720 568873643 /nfs/dbraw/zinc/87/36/43/568873643.db2.gz CURWLCKTLFUGSE-BDTNDASRSA-N 1 1 414.509 3.961 50 0 HHAAMO COC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000012709803 568917628 /nfs/dbraw/zinc/91/76/28/568917628.db2.gz NBUSYOCFCCUMJP-VWLOTQADSA-N 1 1 422.525 3.610 50 0 HHAAMO COC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086952 568940661 /nfs/dbraw/zinc/94/06/61/568940661.db2.gz BBESWARUCNRZHW-UHFFFAOYSA-N 1 1 402.516 3.709 50 0 HHAAMO COC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086952 568940662 /nfs/dbraw/zinc/94/06/62/568940662.db2.gz BBESWARUCNRZHW-UHFFFAOYSA-N 1 1 402.516 3.709 50 0 HHAAMO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000012761772 568945810 /nfs/dbraw/zinc/94/58/10/568945810.db2.gz OXDOIHNXBWZNIW-NRFANRHFSA-N 1 1 415.965 3.733 50 0 HHAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000012762962 568946669 /nfs/dbraw/zinc/94/66/69/568946669.db2.gz LUDWIZQEBBXWGP-KRWDZBQOSA-N 1 1 423.513 3.592 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000015731288 568981926 /nfs/dbraw/zinc/98/19/26/568981926.db2.gz MVPZTKIJSFINEK-SFHVURJKSA-N 1 1 409.509 3.796 50 0 HHAAMO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107886 568992296 /nfs/dbraw/zinc/99/22/96/568992296.db2.gz AHIUEMBECMBWDH-YLJYHZDGSA-N 1 1 411.550 3.685 50 0 biogenic HHAAMO O=C(Nc1cc2ccccc2oc1=O)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038489456 568997759 /nfs/dbraw/zinc/99/77/59/568997759.db2.gz ZYJUMXCBRMRELX-UHFFFAOYSA-N 1 1 402.454 3.520 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205051 569003387 /nfs/dbraw/zinc/00/33/87/569003387.db2.gz KKDJBCNEHGHMKE-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205051 569003388 /nfs/dbraw/zinc/00/33/88/569003388.db2.gz KKDJBCNEHGHMKE-HXUWFJFHSA-N 1 1 413.905 3.643 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850467 569010426 /nfs/dbraw/zinc/01/04/26/569010426.db2.gz GRGMUZFFZHOZOL-HNNXBMFYSA-N 1 1 413.909 3.869 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850467 569010427 /nfs/dbraw/zinc/01/04/27/569010427.db2.gz GRGMUZFFZHOZOL-HNNXBMFYSA-N 1 1 413.909 3.869 50 0 HHAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012871562 569013293 /nfs/dbraw/zinc/01/32/93/569013293.db2.gz MQMQVRDGZSWXRB-HNNXBMFYSA-N 1 1 422.451 3.648 50 0 HHAAMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012871562 569013294 /nfs/dbraw/zinc/01/32/94/569013294.db2.gz MQMQVRDGZSWXRB-HNNXBMFYSA-N 1 1 422.451 3.648 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015862441 569015831 /nfs/dbraw/zinc/01/58/31/569015831.db2.gz YVEVAFCJAQVSJM-KRWDZBQOSA-N 1 1 420.985 3.965 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000012924713 569023652 /nfs/dbraw/zinc/02/36/52/569023652.db2.gz BXEWTZKRZHNKSN-UHFFFAOYSA-N 1 1 404.308 3.657 50 0 HHAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000012924713 569023651 /nfs/dbraw/zinc/02/36/51/569023651.db2.gz BXEWTZKRZHNKSN-UHFFFAOYSA-N 1 1 404.308 3.657 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000012941840 569028718 /nfs/dbraw/zinc/02/87/18/569028718.db2.gz YEXNIWZJGOUGCL-QFIPXVFZSA-N 1 1 409.530 3.953 50 0 HHAAMO Cn1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc2c1c1ccccc1oc2=O ZINC000035396871 569034741 /nfs/dbraw/zinc/03/47/41/569034741.db2.gz DUKJNJJEUZELNS-UHFFFAOYSA-N 1 1 403.482 3.537 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035399205 569035248 /nfs/dbraw/zinc/03/52/48/569035248.db2.gz ZEUYNZQKLXVGRZ-IBGZPJMESA-N 1 1 400.567 3.701 50 0 HHAAMO COc1cccc(Cn2ncc3ccc(C(=O)NCC[N@H+]4CCC[C@@H](C)C4)cc32)c1 ZINC000035560004 569044888 /nfs/dbraw/zinc/04/48/88/569044888.db2.gz HAMFKZCDTWWXPW-GOSISDBHSA-N 1 1 406.530 3.555 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013009027 569049926 /nfs/dbraw/zinc/04/99/26/569049926.db2.gz RZERJTPZGGSCHA-DENIHFKCSA-N 1 1 423.513 3.905 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000013009027 569049927 /nfs/dbraw/zinc/04/99/27/569049927.db2.gz RZERJTPZGGSCHA-DENIHFKCSA-N 1 1 423.513 3.905 50 0 HHAAMO O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000239619620 569054464 /nfs/dbraw/zinc/05/44/64/569054464.db2.gz BFVNUDSALSSJKX-PZJWPPBQSA-N 1 1 402.535 3.891 50 0 HHAAMO Cc1nnc(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)[nH]1 ZINC000426518329 569073235 /nfs/dbraw/zinc/07/32/35/569073235.db2.gz NGAFXTWLHXTFEP-XMMPIXPASA-N 1 1 409.578 3.684 50 0 HHAAMO O=C(c1ccc2n[nH]nc2c1)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000426599505 569073605 /nfs/dbraw/zinc/07/36/05/569073605.db2.gz GBDKTBXCBIXLRO-DEOSSOPVSA-N 1 1 403.530 3.519 50 0 HHAAMO O=C(c1ccc2[nH]nnc2c1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426599505 569073606 /nfs/dbraw/zinc/07/36/06/569073606.db2.gz GBDKTBXCBIXLRO-DEOSSOPVSA-N 1 1 403.530 3.519 50 0 HHAAMO O=C(c1ccc2[nH]nnc2c1)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000426599505 569073607 /nfs/dbraw/zinc/07/36/07/569073607.db2.gz GBDKTBXCBIXLRO-DEOSSOPVSA-N 1 1 403.530 3.519 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000035991295 569074617 /nfs/dbraw/zinc/07/46/17/569074617.db2.gz MHKKRYVXSAPVRM-QHCPKHFHSA-N 1 1 421.541 3.949 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000035991295 569074618 /nfs/dbraw/zinc/07/46/18/569074618.db2.gz MHKKRYVXSAPVRM-QHCPKHFHSA-N 1 1 421.541 3.949 50 0 HHAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)c1OC ZINC000036103775 569092340 /nfs/dbraw/zinc/09/23/40/569092340.db2.gz CVPIDKCEEQLPRF-OAQYLSRUSA-N 1 1 405.510 3.879 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)c1OC ZINC000036103775 569092341 /nfs/dbraw/zinc/09/23/41/569092341.db2.gz CVPIDKCEEQLPRF-OAQYLSRUSA-N 1 1 405.510 3.879 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103637 569092416 /nfs/dbraw/zinc/09/24/16/569092416.db2.gz NWDIHKQJEHSWQA-NRFANRHFSA-N 1 1 411.498 3.877 50 0 HHAAMO O[C@@H](COCc1ccco1)C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147643 569098555 /nfs/dbraw/zinc/09/85/55/569098555.db2.gz MEBPLAYPCJMECK-LJQANCHMSA-N 1 1 423.469 3.545 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146236 569098634 /nfs/dbraw/zinc/09/86/34/569098634.db2.gz RWTSNIIHWPDSRX-RTWAWAEBSA-N 1 1 414.521 3.854 50 0 HHAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+]([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1 ZINC000036250076 569119252 /nfs/dbraw/zinc/11/92/52/569119252.db2.gz KBVRXKXCRGPJDG-OAQYLSRUSA-N 1 1 417.981 3.669 50 0 HHAAMO Cc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)c1 ZINC000036250316 569119399 /nfs/dbraw/zinc/11/93/99/569119399.db2.gz UTMOWPKNDITXLA-REWPJTCUSA-N 1 1 411.590 3.713 50 0 HHAAMO CCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310965 569132054 /nfs/dbraw/zinc/13/20/54/569132054.db2.gz WFFDATFQEGKRLB-LJQANCHMSA-N 1 1 406.958 3.527 50 0 HHAAMO CC(C)C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(C)C ZINC000036312122 569132720 /nfs/dbraw/zinc/13/27/20/569132720.db2.gz YUFYCYKSYJVKLX-UHFFFAOYSA-N 1 1 402.514 3.626 50 0 HHAAMO Cn1nc(C(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)c2c1-c1ccccc1OC2 ZINC000006817541 569138172 /nfs/dbraw/zinc/13/81/72/569138172.db2.gz CKMUAGHMJQRQQV-UHFFFAOYSA-N 1 1 420.513 3.747 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989192 569145854 /nfs/dbraw/zinc/14/58/54/569145854.db2.gz ISEFKLILZCHDTP-IBGZPJMESA-N 1 1 407.562 3.738 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000036398584 569171556 /nfs/dbraw/zinc/17/15/56/569171556.db2.gz YEAOBLKYVJVGHI-FQEVSTJZSA-N 1 1 407.892 3.727 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000036398584 569171557 /nfs/dbraw/zinc/17/15/57/569171557.db2.gz YEAOBLKYVJVGHI-FQEVSTJZSA-N 1 1 407.892 3.727 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000036398584 569171558 /nfs/dbraw/zinc/17/15/58/569171558.db2.gz YEAOBLKYVJVGHI-FQEVSTJZSA-N 1 1 407.892 3.727 50 0 HHAAMO O=C(c1ccc(C[S@](=O)c2ccc(F)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006895638 569175506 /nfs/dbraw/zinc/17/55/06/569175506.db2.gz OEIHQTPBSUJIFO-GDLZYMKVSA-N 1 1 418.534 3.817 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000065178249 569191711 /nfs/dbraw/zinc/19/17/11/569191711.db2.gz PZOGMALIVHJCHP-UHFFFAOYSA-N 1 1 422.573 3.581 50 0 HHAAMO COc1ccc(CNC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000065210842 569196318 /nfs/dbraw/zinc/19/63/18/569196318.db2.gz RVAPCVWHOCTIDG-UHFFFAOYSA-N 1 1 419.525 3.531 50 0 HHAAMO COc1ccc(CNC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000065210842 569196319 /nfs/dbraw/zinc/19/63/19/569196319.db2.gz RVAPCVWHOCTIDG-UHFFFAOYSA-N 1 1 419.525 3.531 50 0 HHAAMO CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1 ZINC000007437682 569239028 /nfs/dbraw/zinc/23/90/28/569239028.db2.gz YCYNMZLGCVLUPB-UHFFFAOYSA-N 1 1 403.408 3.747 50 0 HHAAMO CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1 ZINC000007437682 569239029 /nfs/dbraw/zinc/23/90/29/569239029.db2.gz YCYNMZLGCVLUPB-UHFFFAOYSA-N 1 1 403.408 3.747 50 0 HHAAMO COc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 ZINC000170614518 569247135 /nfs/dbraw/zinc/24/71/35/569247135.db2.gz NYQFFWVOAXLMOK-OALUTQOASA-N 1 1 408.420 3.953 50 0 HHAAMO C[N@@H+](CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)Cc1ccccc1 ZINC000010089042 569253244 /nfs/dbraw/zinc/25/32/44/569253244.db2.gz XSEXSIGEDFEVEA-UHFFFAOYSA-N 1 1 422.554 3.576 50 0 HHAAMO CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000027302012 569293325 /nfs/dbraw/zinc/29/33/25/569293325.db2.gz DTIFQVCNKCJITE-INIZCTEOSA-N 1 1 421.463 3.852 50 0 HHAAMO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000027302012 569293326 /nfs/dbraw/zinc/29/33/26/569293326.db2.gz DTIFQVCNKCJITE-INIZCTEOSA-N 1 1 421.463 3.852 50 0 HHAAMO COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000253426530 569368325 /nfs/dbraw/zinc/36/83/25/569368325.db2.gz HIEVBUFBZFNTCN-OPYAIIAOSA-N 1 1 406.542 3.616 50 0 HHAAMO Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)C[NH+]1CCCCC1 ZINC000002415385 569397254 /nfs/dbraw/zinc/39/72/54/569397254.db2.gz SJTMFWNFCXNJNS-UHFFFAOYSA-N 1 1 414.513 3.986 50 0 HHAAMO CCc1[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c(C)c1C(=O)OC ZINC000328591653 569415057 /nfs/dbraw/zinc/41/50/57/569415057.db2.gz GNOUXKGRBFBCQD-INIZCTEOSA-N 1 1 417.575 3.636 50 0 HHAAMO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c(=O)c2C1 ZINC000067291737 571068236 /nfs/dbraw/zinc/06/82/36/571068236.db2.gz HSTTUIDKEXQJRT-UHFFFAOYSA-N 1 1 400.548 3.805 50 0 HHAAMO CCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c(=O)c2C1 ZINC000067291737 571068239 /nfs/dbraw/zinc/06/82/39/571068239.db2.gz HSTTUIDKEXQJRT-UHFFFAOYSA-N 1 1 400.548 3.805 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000040088706 571158906 /nfs/dbraw/zinc/15/89/06/571158906.db2.gz RLJLKHFHYBZLCN-UHFFFAOYSA-N 1 1 410.493 3.804 50 0 HHAAMO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000040156446 571203462 /nfs/dbraw/zinc/20/34/62/571203462.db2.gz HARZTEAIRXPEDL-WMZHIEFXSA-N 1 1 409.574 3.988 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)sc2C1 ZINC000040159715 571205602 /nfs/dbraw/zinc/20/56/02/571205602.db2.gz RPRWRTLFGHBXSW-UHFFFAOYSA-N 1 1 412.515 3.957 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)sc2C1 ZINC000040159715 571205603 /nfs/dbraw/zinc/20/56/03/571205603.db2.gz RPRWRTLFGHBXSW-UHFFFAOYSA-N 1 1 412.515 3.957 50 0 HHAAMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352134 571222881 /nfs/dbraw/zinc/22/28/81/571222881.db2.gz MXIACQKIYDHCLK-CRAIPNDOSA-N 1 1 402.336 3.934 50 0 HHAAMO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)SCCO1 ZINC000009115276 571224197 /nfs/dbraw/zinc/22/41/97/571224197.db2.gz MDIABGCDXNQEAE-MRXNPFEDSA-N 1 1 417.575 3.614 50 0 HHAAMO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2cccc(F)c2)C3)c1C ZINC000069656420 571236974 /nfs/dbraw/zinc/23/69/74/571236974.db2.gz GWMBZVPGFRLXLJ-INIZCTEOSA-N 1 1 421.520 3.801 50 0 HHAAMO COC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c1 ZINC000009513312 571264483 /nfs/dbraw/zinc/26/44/83/571264483.db2.gz UFNSBUCSEMSOOD-JOCHJYFZSA-N 1 1 405.494 3.934 50 0 HHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COCC13CC4CC(CC(C4)C1)C3)CC2 ZINC000010384065 571301740 /nfs/dbraw/zinc/30/17/40/571301740.db2.gz OQELHBPUHZQENY-KIZRYQFWSA-N 1 1 415.574 3.656 50 0 HHAAMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)c(C)nc2c1 ZINC000071847527 571303370 /nfs/dbraw/zinc/30/33/70/571303370.db2.gz WTHABIVQLNZDLS-JOCHJYFZSA-N 1 1 402.498 3.554 50 0 HHAAMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@H+]3CCC[C@@H]3C(N)=O)c(C)nc2c1 ZINC000071847527 571303371 /nfs/dbraw/zinc/30/33/71/571303371.db2.gz WTHABIVQLNZDLS-JOCHJYFZSA-N 1 1 402.498 3.554 50 0 HHAAMO O=C(CSc1ccc(F)cc1)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077159223 571311797 /nfs/dbraw/zinc/31/17/97/571311797.db2.gz IXZHMBBMRMZCPE-UHFFFAOYSA-N 1 1 424.545 3.626 50 0 HHAAMO CCS(=O)(=O)N1CCC(Oc2cccc(C[N@@H+](C)Cc3ccsc3)c2)CC1 ZINC000011839971 962201040 /nfs/dbraw/zinc/20/10/40/962201040.db2.gz YUSYSBIWONFCRY-UHFFFAOYSA-N 1 1 408.589 3.573 50 0 HHAAMO CN(Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1)Cc1cccnc1 ZINC000011934537 962210639 /nfs/dbraw/zinc/21/06/39/962210639.db2.gz JYHIDZVHBVCDIS-DEOSSOPVSA-N 1 1 405.542 3.585 50 0 HHAAMO CN(Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1)Cc1cccnc1 ZINC000011934537 962210659 /nfs/dbraw/zinc/21/06/59/962210659.db2.gz JYHIDZVHBVCDIS-DEOSSOPVSA-N 1 1 405.542 3.585 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000012316642 962271174 /nfs/dbraw/zinc/27/11/74/962271174.db2.gz QWDWKHRIYQUHTF-IBGZPJMESA-N 1 1 420.557 3.891 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c1 ZINC000012316642 962271194 /nfs/dbraw/zinc/27/11/94/962271194.db2.gz QWDWKHRIYQUHTF-IBGZPJMESA-N 1 1 420.557 3.891 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)cc2)c1 ZINC000012432422 962278758 /nfs/dbraw/zinc/27/87/58/962278758.db2.gz URCXIXFRWQEYRK-OAQYLSRUSA-N 1 1 404.514 3.946 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012431151 962279713 /nfs/dbraw/zinc/27/97/13/962279713.db2.gz COXYVKGMEWBGST-NRFANRHFSA-N 1 1 400.526 3.999 50 0 HHAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)C1 ZINC000012571938 962293308 /nfs/dbraw/zinc/29/33/08/962293308.db2.gz QYEKTTLOOHVOEH-NRFANRHFSA-N 1 1 412.578 3.804 50 0 HHAAMO COc1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000012596615 962299484 /nfs/dbraw/zinc/29/94/84/962299484.db2.gz OBSPHOBRTDVXET-DEOSSOPVSA-N 1 1 408.546 3.737 50 0 HHAAMO CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)o1 ZINC000012711712 962316919 /nfs/dbraw/zinc/31/69/19/962316919.db2.gz KWVLHJICAZCAIZ-LJQANCHMSA-N 1 1 401.526 3.507 50 0 HHAAMO O=C1C[N@H+](C2Cc3ccccc3C2)C[C@H](OCc2ccccn2)CN1C1CCCCC1 ZINC000014531591 962524752 /nfs/dbraw/zinc/52/47/52/962524752.db2.gz XDDPWSDYICWHCV-VWLOTQADSA-N 1 1 419.569 3.611 50 0 HHAAMO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccsc1)C2 ZINC000014741611 962566720 /nfs/dbraw/zinc/56/67/20/962566720.db2.gz BLMVWKQXQZGSPX-SFHVURJKSA-N 1 1 400.592 3.970 50 0 HHAAMO O=C1CC[N@H+](Cc2ccc3c(c2)OCCO3)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000014964536 962615136 /nfs/dbraw/zinc/61/51/36/962615136.db2.gz SYCWKMFRDWCJJM-UHFFFAOYSA-N 1 1 420.431 3.711 50 0 HHAAMO C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 ZINC000014968453 962615180 /nfs/dbraw/zinc/61/51/80/962615180.db2.gz XARBBTLWIOSCEH-UHFFFAOYSA-N 1 1 411.571 3.767 50 0 HHAAMO C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1 ZINC000014968453 962615187 /nfs/dbraw/zinc/61/51/87/962615187.db2.gz XARBBTLWIOSCEH-UHFFFAOYSA-N 1 1 411.571 3.767 50 0 HHAAMO O=C(NCCc1cnc[nH]1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015066460 962645425 /nfs/dbraw/zinc/64/54/25/962645425.db2.gz PJYHOCACRSGDRH-UHFFFAOYSA-N 1 1 416.953 3.821 50 0 HHAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794471 963374744 /nfs/dbraw/zinc/37/47/44/963374744.db2.gz PCMMFBHSYMOATD-JOCHJYFZSA-N 1 1 404.558 3.963 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794471 963374750 /nfs/dbraw/zinc/37/47/50/963374750.db2.gz PCMMFBHSYMOATD-JOCHJYFZSA-N 1 1 404.558 3.963 50 0 HHAAMO COCc1ccc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000019836697 963375388 /nfs/dbraw/zinc/37/53/88/963375388.db2.gz JTFODVSMNAUHED-IBGZPJMESA-N 1 1 402.535 3.582 50 0 HHAAMO Cc1cccc(-c2ncc(CN3CC[N@@H+](CC4CCCCC4)[C@@H](CCO)C3)cn2)c1 ZINC000020539132 963389663 /nfs/dbraw/zinc/38/96/63/963389663.db2.gz QXTPQLJPPBBABF-DEOSSOPVSA-N 1 1 408.590 3.901 50 0 HHAAMO CC(C)c1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000035959797 966423828 /nfs/dbraw/zinc/42/38/28/966423828.db2.gz VVSMKIKXHIFJAM-QFIPXVFZSA-N 1 1 405.542 3.507 50 0 HHAAMO CNC(=O)c1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000036392353 966432054 /nfs/dbraw/zinc/43/20/54/966432054.db2.gz NBOQPMZRCXUZFU-MDWZMJQESA-N 1 1 405.542 3.527 50 0 HHAAMO O=C(c1ccncc1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779207 970479639 /nfs/dbraw/zinc/47/96/39/970479639.db2.gz ZNVXZGACTCXWII-QHCPKHFHSA-N 1 1 405.542 3.900 50 0 HHAAMO O=C(NC[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2)N1CCCC1 ZINC000257174129 970616137 /nfs/dbraw/zinc/61/61/37/970616137.db2.gz 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CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2Cl)CC1 ZINC000000809775 132233401 /nfs/dbraw/zinc/23/34/01/132233401.db2.gz GOAVNDOXSPMHOW-UHFFFAOYSA-N 1 1 403.910 3.751 50 0 HHAAMO Cc1nc2c3ccccc3oc2c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000002242561 132250195 /nfs/dbraw/zinc/25/01/95/132250195.db2.gz APJFCIOOJCUSIS-UHFFFAOYSA-N 1 1 402.454 3.735 50 0 HHAAMO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc5c(c4)OCO5)CC2)n1)CCC3 ZINC000004284152 132274252 /nfs/dbraw/zinc/27/42/52/132274252.db2.gz CKKSNLMKEFAASU-UHFFFAOYSA-N 1 1 408.527 3.539 50 0 HHAAMO CCOc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000004791644 132288740 /nfs/dbraw/zinc/28/87/40/132288740.db2.gz SMVHWCGVGIYYSC-UHFFFAOYSA-N 1 1 400.498 3.558 50 0 HHAAMO CCc1nc2c3ccccc3oc2c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000005163438 132303658 /nfs/dbraw/zinc/30/36/58/132303658.db2.gz NNORKNCVAVHLBP-UHFFFAOYSA-N 1 1 416.481 3.989 50 0 HHAAMO CC(C)[N@@H+](CCCNC(=O)CCC(=O)N1CCOc2ccccc21)Cc1ccccc1 ZINC000006798521 132317272 /nfs/dbraw/zinc/31/72/72/132317272.db2.gz AHEZUTXHBLQRIK-UHFFFAOYSA-N 1 1 423.557 3.609 50 0 HHAAMO Cc1c(C)n(C)c2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc12 ZINC000006911057 132320363 /nfs/dbraw/zinc/32/03/63/132320363.db2.gz MNLJQFJILWSOQS-UHFFFAOYSA-N 1 1 422.548 3.876 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nc3ccccc3c(=O)n2Cc2ccccc2)C1 ZINC000023817427 519729971 /nfs/dbraw/zinc/72/99/71/519729971.db2.gz HAMQRFXQEGSFDN-HXUWFJFHSA-N 1 1 423.582 3.894 50 0 HHAAMO CCN(CC)C(=O)C1CC[NH+](Cc2nc(-c3cc(OC)ccc3F)oc2C)CC1 ZINC000020539876 520443465 /nfs/dbraw/zinc/44/34/65/520443465.db2.gz OAIFJPXLTRVVAO-UHFFFAOYSA-N 1 1 403.498 3.878 50 0 HHAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1)C1CCCCC1 ZINC000032974398 522756362 /nfs/dbraw/zinc/75/63/62/522756362.db2.gz MBXMFQDQMYQIHA-UHFFFAOYSA-N 1 1 405.627 3.966 50 0 HHAAMO C[N@@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000032686449 523098310 /nfs/dbraw/zinc/09/83/10/523098310.db2.gz HCPYGECYHALWDB-XZOQPEGZSA-N 1 1 419.521 3.925 50 0 HHAAMO Cc1ccccc1C(=O)Nc1nc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000040355380 525065794 /nfs/dbraw/zinc/06/57/94/525065794.db2.gz MEPMCOKDTGRWBL-INIZCTEOSA-N 1 1 400.548 3.698 50 0 HHAAMO Cc1cnc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cn1 ZINC000020572555 525966546 /nfs/dbraw/zinc/96/65/46/525966546.db2.gz YJSORYBZJBHPMQ-OAQYLSRUSA-N 1 1 407.562 3.867 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCNC(=O)c1ccsc1 ZINC000032930743 526251470 /nfs/dbraw/zinc/25/14/70/526251470.db2.gz IECOWGCCERPYCU-SFHVURJKSA-N 1 1 413.587 3.949 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000043041578 526256237 /nfs/dbraw/zinc/25/62/37/526256237.db2.gz NRXVZASICILMNS-OAQYLSRUSA-N 1 1 410.587 3.824 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000043041578 526256239 /nfs/dbraw/zinc/25/62/39/526256239.db2.gz NRXVZASICILMNS-OAQYLSRUSA-N 1 1 410.587 3.824 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000043041578 526256241 /nfs/dbraw/zinc/25/62/41/526256241.db2.gz NRXVZASICILMNS-OAQYLSRUSA-N 1 1 410.587 3.824 50 0 HHAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000043041578 526256242 /nfs/dbraw/zinc/25/62/42/526256242.db2.gz NRXVZASICILMNS-OAQYLSRUSA-N 1 1 410.587 3.824 50 0 HHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000043732501 527118289 /nfs/dbraw/zinc/11/82/89/527118289.db2.gz XRJIPHKFTHOBFC-CADBVGFASA-N 1 1 411.299 3.774 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000001068471 557167604 /nfs/dbraw/zinc/16/76/04/557167604.db2.gz JNINZMABMZHBPH-GOSISDBHSA-N 1 1 409.873 3.993 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022908188 557853080 /nfs/dbraw/zinc/85/30/80/557853080.db2.gz OEMKCGSSIZJBOB-FQEVSTJZSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022908188 557853082 /nfs/dbraw/zinc/85/30/82/557853082.db2.gz OEMKCGSSIZJBOB-FQEVSTJZSA-N 1 1 423.513 3.742 50 0 HHAAMO Cn1c(C[N@@H+]2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)nc2ccccc21 ZINC000011662030 558265945 /nfs/dbraw/zinc/26/59/45/558265945.db2.gz PYBRLLFZXKBTPT-KRWDZBQOSA-N 1 1 401.514 3.697 50 0 HHAAMO Cn1c(C[N@H+]2CCC[C@@H](CNC(=O)c3cc4ccccc4[nH]3)C2)nc2ccccc21 ZINC000011662030 558265948 /nfs/dbraw/zinc/26/59/48/558265948.db2.gz PYBRLLFZXKBTPT-KRWDZBQOSA-N 1 1 401.514 3.697 50 0 HHAAMO CN1CCC([N@@H+]2CCC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000011772413 558274572 /nfs/dbraw/zinc/27/45/72/558274572.db2.gz TVKMSMUZINAGJT-AWEZNQCLSA-N 1 1 403.876 3.647 50 0 HHAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000011772413 558274576 /nfs/dbraw/zinc/27/45/76/558274576.db2.gz TVKMSMUZINAGJT-AWEZNQCLSA-N 1 1 403.876 3.647 50 0 HHAAMO COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1OC ZINC000011815886 558279499 /nfs/dbraw/zinc/27/94/99/558279499.db2.gz KLOLXUPXDLHSIL-UFSNDUKISA-N 1 1 420.553 3.807 50 0 HHAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(C(C)(C)C)c1 ZINC000019809650 558286381 /nfs/dbraw/zinc/28/63/81/558286381.db2.gz GEEIUTXSSZILIP-SFHVURJKSA-N 1 1 416.537 3.694 50 0 HHAAMO CC[N@H+](Cc1ccccc1OCCO)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011878512 558293135 /nfs/dbraw/zinc/29/31/35/558293135.db2.gz JGHVJTJCBLHBRE-QFIPXVFZSA-N 1 1 414.565 3.973 50 0 HHAAMO CCN(Cc1ccccc1OCCO)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011878512 558293138 /nfs/dbraw/zinc/29/31/38/558293138.db2.gz JGHVJTJCBLHBRE-QFIPXVFZSA-N 1 1 414.565 3.973 50 0 HHAAMO CCN(Cc1ccccc1OCCO)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011878512 558293139 /nfs/dbraw/zinc/29/31/39/558293139.db2.gz JGHVJTJCBLHBRE-QFIPXVFZSA-N 1 1 414.565 3.973 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccco1 ZINC000011905226 558295773 /nfs/dbraw/zinc/29/57/73/558295773.db2.gz RSYVCNPRKNZPJO-OAHLLOKOSA-N 1 1 404.264 3.730 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019865462 558298781 /nfs/dbraw/zinc/29/87/81/558298781.db2.gz PZCSKNDBULZYLA-QHCPKHFHSA-N 1 1 408.521 3.593 50 0 HHAAMO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1C[C@@H](c1cccnc1)N1CCCCC1 ZINC000012056834 558316173 /nfs/dbraw/zinc/31/61/73/558316173.db2.gz CDJVABFBWVRXFK-VWNXMTODSA-N 1 1 424.564 3.919 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 ZINC000012192668 558348072 /nfs/dbraw/zinc/34/80/72/558348072.db2.gz HSVDMBYPYUTLGV-GOSISDBHSA-N 1 1 406.505 3.796 50 0 HHAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3cc(F)ccc3-n3cccn3)C2)c1 ZINC000012201340 558351447 /nfs/dbraw/zinc/35/14/47/558351447.db2.gz PZOHQFFSBCHYAH-XMMPIXPASA-N 1 1 409.505 3.837 50 0 HHAAMO CCc1c(C(=O)N(C)Cc2cccs2)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000012212311 558354142 /nfs/dbraw/zinc/35/41/42/558354142.db2.gz AAHSFIHJQPQPJV-QGZVFWFLSA-N 1 1 401.576 3.537 50 0 HHAAMO COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](C(C)C)CC5)cc1OC ZINC000020330419 558355873 /nfs/dbraw/zinc/35/58/73/558355873.db2.gz HREOSAJDYRBUFJ-UHFFFAOYSA-N 1 1 409.515 3.790 50 0 HHAAMO COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](C(C)C)CC5)cc1OC ZINC000020330419 558355875 /nfs/dbraw/zinc/35/58/75/558355875.db2.gz HREOSAJDYRBUFJ-UHFFFAOYSA-N 1 1 409.515 3.790 50 0 HHAAMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000020406715 558360188 /nfs/dbraw/zinc/36/01/88/558360188.db2.gz CIPZRTXPJXIRJV-UHFFFAOYSA-N 1 1 419.953 3.798 50 0 HHAAMO OC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012314589 558378076 /nfs/dbraw/zinc/37/80/76/558378076.db2.gz CXJHBAATRGEOQL-LJQANCHMSA-N 1 1 405.498 3.531 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)ccc2C)C1=O ZINC000020533158 558384402 /nfs/dbraw/zinc/38/44/02/558384402.db2.gz KOJJHCFJIIRFQB-QZMYASAMSA-N 1 1 403.526 3.905 50 0 HHAAMO CCCCc1nc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c[nH]1 ZINC000012433591 558407546 /nfs/dbraw/zinc/40/75/46/558407546.db2.gz YORKPGLYFOPNHN-UHFFFAOYSA-N 1 1 406.534 3.789 50 0 HHAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012465507 558420152 /nfs/dbraw/zinc/42/01/52/558420152.db2.gz SHXZBFQZOYUPKN-HXUWFJFHSA-N 1 1 404.514 3.946 50 0 HHAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000020945332 558424805 /nfs/dbraw/zinc/42/48/05/558424805.db2.gz CVLJZVDDMQCKPQ-LJQANCHMSA-N 1 1 419.905 3.899 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000012711026 558452425 /nfs/dbraw/zinc/45/24/25/558452425.db2.gz PWYHYTIAALABGN-QFIPXVFZSA-N 1 1 408.542 3.681 50 0 HHAAMO C[N@H+]1CCC[C@]2(CCCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)C1 ZINC000012715673 558455104 /nfs/dbraw/zinc/45/51/04/558455104.db2.gz DFZYFWYFYCQVCS-FQEVSTJZSA-N 1 1 408.468 3.987 50 0 HHAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012716510 558455385 /nfs/dbraw/zinc/45/53/85/558455385.db2.gz YIBMHRUILJZEHV-CDDKBXLESA-N 1 1 414.571 3.540 50 0 HHAAMO COc1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)cc(OC)c1OC ZINC000012835303 558477938 /nfs/dbraw/zinc/47/79/38/558477938.db2.gz PXSLAQHKSZQBJO-KDLAUNOPSA-N 1 1 408.498 3.655 50 0 HHAAMO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012999322 558499704 /nfs/dbraw/zinc/49/97/04/558499704.db2.gz DSWNYOVWRKDXFO-OAHLLOKOSA-N 1 1 423.340 3.909 50 0 HHAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013039967 558506521 /nfs/dbraw/zinc/50/65/21/558506521.db2.gz OSBAIIBVIRMEFM-CYBMUJFWSA-N 1 1 424.328 3.750 50 0 HHAAMO CC(=O)Nc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3cccs3)C2)cc1 ZINC000023175949 558540293 /nfs/dbraw/zinc/54/02/93/558540293.db2.gz BHCVACUNDQVCDZ-FQEVSTJZSA-N 1 1 410.543 3.870 50 0 HHAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1CCCc1ccccc1 ZINC000023375271 558554804 /nfs/dbraw/zinc/55/48/04/558554804.db2.gz GWBFSEDNPRJLFB-DEOSSOPVSA-N 1 1 404.558 3.578 50 0 HHAAMO COc1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[NH+]2CCCC2)cc1 ZINC000023994183 558584068 /nfs/dbraw/zinc/58/40/68/558584068.db2.gz RGOWRMDKSXDKAO-QHCPKHFHSA-N 1 1 410.539 3.964 50 0 HHAAMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024335385 558595122 /nfs/dbraw/zinc/59/51/22/558595122.db2.gz CIBHSPJBQNRTOZ-IBGZPJMESA-N 1 1 410.558 3.900 50 0 HHAAMO Cc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000024927852 558621237 /nfs/dbraw/zinc/62/12/37/558621237.db2.gz PYSSMPJEGNPWRG-GOSISDBHSA-N 1 1 405.420 3.733 50 0 HHAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000024927852 558621239 /nfs/dbraw/zinc/62/12/39/558621239.db2.gz PYSSMPJEGNPWRG-GOSISDBHSA-N 1 1 405.420 3.733 50 0 HHAAMO Cc1nc(-c2ccc(C[NH2+][C@@H](C(=O)N3CCOCC3)c3ccccc3)s2)cs1 ZINC000014123903 558622807 /nfs/dbraw/zinc/62/28/07/558622807.db2.gz YBKODKATAMWFND-HXUWFJFHSA-N 1 1 413.568 3.870 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024992802 558626380 /nfs/dbraw/zinc/62/63/80/558626380.db2.gz BXXJKGJSEWQENN-MRXNPFEDSA-N 1 1 415.921 3.946 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000024992802 558626383 /nfs/dbraw/zinc/62/63/83/558626383.db2.gz BXXJKGJSEWQENN-MRXNPFEDSA-N 1 1 415.921 3.946 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nc3ccccc3c(=O)n2C2CCCC2)C1 ZINC000025106162 558631857 /nfs/dbraw/zinc/63/18/57/558631857.db2.gz GPRKHNMBSFDHFO-GOSISDBHSA-N 1 1 401.576 3.961 50 0 HHAAMO Cc1cc(=O)oc2ccc(OCCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000025578664 558644518 /nfs/dbraw/zinc/64/45/18/558644518.db2.gz YDEQJTVWFVSJQP-UHFFFAOYSA-N 1 1 420.509 3.605 50 0 HHAAMO CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000014536497 558658479 /nfs/dbraw/zinc/65/84/79/558658479.db2.gz IWZJUBADLIRZMT-UHFFFAOYSA-N 1 1 421.570 3.580 50 0 HHAAMO CN(Cc1cscn1)C(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000014536497 558658481 /nfs/dbraw/zinc/65/84/81/558658481.db2.gz IWZJUBADLIRZMT-UHFFFAOYSA-N 1 1 421.570 3.580 50 0 HHAAMO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1csc(-c2ccccc2)n1 ZINC000026918642 558666984 /nfs/dbraw/zinc/66/69/84/558666984.db2.gz HTONYPJMOKTDGN-UHFFFAOYSA-N 1 1 408.527 3.760 50 0 HHAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1csc(-c2ccccc2)n1 ZINC000026918642 558666987 /nfs/dbraw/zinc/66/69/87/558666987.db2.gz HTONYPJMOKTDGN-UHFFFAOYSA-N 1 1 408.527 3.760 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303402 558671792 /nfs/dbraw/zinc/67/17/92/558671792.db2.gz SVOIMHBGKRELTH-CYBMUJFWSA-N 1 1 411.399 3.577 50 0 HHAAMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027303402 558671794 /nfs/dbraw/zinc/67/17/94/558671794.db2.gz SVOIMHBGKRELTH-CYBMUJFWSA-N 1 1 411.399 3.577 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)NCC1(c2ccccc2)CCC1 ZINC000027951634 558685168 /nfs/dbraw/zinc/68/51/68/558685168.db2.gz WCMAGOZZNWCWCO-FQEVSTJZSA-N 1 1 405.542 3.575 50 0 HHAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000014964131 558685259 /nfs/dbraw/zinc/68/52/59/558685259.db2.gz ZOVDFIXHXVANIA-SFHVURJKSA-N 1 1 422.504 3.693 50 0 HHAAMO Cn1c(SCC[NH+]2CCCCC2)nnc1C1CCN(C/C=C/c2ccco2)CC1 ZINC000014986641 558692960 /nfs/dbraw/zinc/69/29/60/558692960.db2.gz SQWYLBCIYRUILU-FNORWQNLSA-N 1 1 415.607 3.879 50 0 HHAAMO CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000028349630 558699512 /nfs/dbraw/zinc/69/95/12/558699512.db2.gz MCOPMJHEOVPGQW-PMACEKPBSA-N 1 1 401.551 3.706 50 0 HHAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cnn(C)c2)CC1 ZINC000015076558 558716490 /nfs/dbraw/zinc/71/64/90/558716490.db2.gz FHYAHIFPUUSCOT-UHFFFAOYSA-N 1 1 409.452 3.827 50 0 HHAAMO C[C@H](NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)c1ccc(F)cc1 ZINC000030955687 558747269 /nfs/dbraw/zinc/74/72/69/558747269.db2.gz OOVIYZSAXJPQPK-INIZCTEOSA-N 1 1 408.477 3.965 50 0 HHAAMO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314419 558845924 /nfs/dbraw/zinc/84/59/24/558845924.db2.gz XSLRBRZZVPLYQG-SIKLNZKXSA-N 1 1 423.561 3.608 50 0 HHAAMO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314420 558846162 /nfs/dbraw/zinc/84/61/62/558846162.db2.gz XSLRBRZZVPLYQG-UGKGYDQZSA-N 1 1 423.561 3.608 50 0 HHAAMO Cc1cccn2c(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)c(C(=O)N3CCCCC3)nc12 ZINC000019229182 558853120 /nfs/dbraw/zinc/85/31/20/558853120.db2.gz MVTMEDJGGSLEJJ-FQEVSTJZSA-N 1 1 418.541 3.704 50 0 HHAAMO Cc1cccn2c(C[N@@H+](C)C[C@@H]3Cc4ccccc4O3)c(C(=O)N3CCCCC3)nc12 ZINC000019229182 558853122 /nfs/dbraw/zinc/85/31/22/558853122.db2.gz MVTMEDJGGSLEJJ-FQEVSTJZSA-N 1 1 418.541 3.704 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019228976 558853144 /nfs/dbraw/zinc/85/31/44/558853144.db2.gz HPCGLZDVDKIVEF-NRFANRHFSA-N 1 1 403.530 3.798 50 0 HHAAMO O=C(c1ccccn1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055107961 558872825 /nfs/dbraw/zinc/87/28/25/558872825.db2.gz NGFOFUIIUVICLB-LJQANCHMSA-N 1 1 418.463 3.527 50 0 HHAAMO CCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000055556810 558882542 /nfs/dbraw/zinc/88/25/42/558882542.db2.gz FTTXHOKRIWZNMK-UHFFFAOYSA-N 1 1 414.550 3.761 50 0 HHAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000033048165 558884273 /nfs/dbraw/zinc/88/42/73/558884273.db2.gz MGVDOWIWPIFVIJ-UHFFFAOYSA-N 1 1 414.513 3.743 50 0 HHAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)cn2)CC1 ZINC000058114327 558899675 /nfs/dbraw/zinc/89/96/75/558899675.db2.gz XMNOAQPQRDGITF-UHFFFAOYSA-N 1 1 416.525 3.946 50 0 HHAAMO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000058328444 558920010 /nfs/dbraw/zinc/92/00/10/558920010.db2.gz DQYGSPIRJKYRBD-IBGZPJMESA-N 1 1 412.509 3.577 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058406735 558924738 /nfs/dbraw/zinc/92/47/38/558924738.db2.gz QBRFUQOQKDMYFZ-VQTJNVASSA-N 1 1 412.603 3.786 50 0 HHAAMO CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S ZINC000004627705 558924850 /nfs/dbraw/zinc/92/48/50/558924850.db2.gz XBZZGZJGFIYQNO-KRWDZBQOSA-N 1 1 416.591 3.550 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S ZINC000004627705 558924853 /nfs/dbraw/zinc/92/48/53/558924853.db2.gz XBZZGZJGFIYQNO-KRWDZBQOSA-N 1 1 416.591 3.550 50 0 HHAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1F ZINC000058431703 558926635 /nfs/dbraw/zinc/92/66/35/558926635.db2.gz IZTRCJWGBCPMFB-UHFFFAOYSA-N 1 1 415.852 3.603 50 0 HHAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000019595659 558946033 /nfs/dbraw/zinc/94/60/33/558946033.db2.gz SCFVVOFWRWKQKG-QHCPKHFHSA-N 1 1 419.548 3.798 50 0 HHAAMO CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000064045036 558961841 /nfs/dbraw/zinc/96/18/41/558961841.db2.gz DXEFTCXOTPKCSJ-UHFFFAOYSA-N 1 1 409.917 3.980 50 0 HHAAMO Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3nn(C)c4cccc(Cl)c34)CC2)nn1 ZINC000072436634 558980034 /nfs/dbraw/zinc/98/00/34/558980034.db2.gz QLHDWZDTPZPNKE-UHFFFAOYSA-N 1 1 410.953 3.960 50 0 HHAAMO O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072446870 558982332 /nfs/dbraw/zinc/98/23/32/558982332.db2.gz HBPPSVZBSCRFRI-UHFFFAOYSA-N 1 1 413.525 3.706 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000067621742 558989635 /nfs/dbraw/zinc/98/96/35/558989635.db2.gz WZESLLQVAMQTFN-UHFFFAOYSA-N 1 1 417.916 3.530 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000076996805 558999027 /nfs/dbraw/zinc/99/90/27/558999027.db2.gz IMNNDLKRRHPBDR-DEOSSOPVSA-N 1 1 407.514 3.960 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000076996805 558999029 /nfs/dbraw/zinc/99/90/29/558999029.db2.gz IMNNDLKRRHPBDR-DEOSSOPVSA-N 1 1 407.514 3.960 50 0 HHAAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1OC ZINC000077405955 559003825 /nfs/dbraw/zinc/00/38/25/559003825.db2.gz CPMPUNQGRBLKME-QGZVFWFLSA-N 1 1 402.922 3.999 50 0 HHAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1OC ZINC000077405954 559003867 /nfs/dbraw/zinc/00/38/67/559003867.db2.gz CPMPUNQGRBLKME-KRWDZBQOSA-N 1 1 402.922 3.999 50 0 HHAAMO CCC1(CC)CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000082106573 559038372 /nfs/dbraw/zinc/03/83/72/559038372.db2.gz LOHCNZQMOTXGAU-QFIPXVFZSA-N 1 1 412.622 3.797 50 0 HHAAMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091460215 559071655 /nfs/dbraw/zinc/07/16/55/559071655.db2.gz BYYAHYMLMBYWKF-SFHVURJKSA-N 1 1 410.562 3.958 50 0 HHAAMO COc1cc(-c2nc(CN3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c(C)o2)ccc1F ZINC000097642836 559119536 /nfs/dbraw/zinc/11/95/36/559119536.db2.gz ALDMBOJURUXUNH-IYBDPMFKSA-N 1 1 417.525 3.871 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1cn(C)c2ccccc12 ZINC000409413995 559250907 /nfs/dbraw/zinc/25/09/07/559250907.db2.gz HTFQSUXPBXRLIH-NZQKXSOJSA-N 1 1 411.590 3.850 50 0 HHAAMO Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)[NH+]1CCCCCC1 ZINC000011897723 559265507 /nfs/dbraw/zinc/26/55/07/559265507.db2.gz MBYKEPCBWIWXQL-LJQANCHMSA-N 1 1 413.946 3.713 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1=O ZINC000103022311 560836857 /nfs/dbraw/zinc/83/68/57/560836857.db2.gz SLOATASJRWNQOC-NRFANRHFSA-N 1 1 403.482 3.688 50 0 HHAAMO CC(C)[C@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153770 560884980 /nfs/dbraw/zinc/88/49/80/560884980.db2.gz XZLBYMVSKBWMMD-GPMSIDNRSA-N 1 1 416.484 3.516 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C(CO)CO)C1 ZINC000107068356 560895197 /nfs/dbraw/zinc/89/51/97/560895197.db2.gz PFQYJDOUAYRYKT-FOIQADDNSA-N 1 1 423.340 3.596 50 0 HHAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C(CO)CO)C1 ZINC000107068356 560895198 /nfs/dbraw/zinc/89/51/98/560895198.db2.gz PFQYJDOUAYRYKT-FOIQADDNSA-N 1 1 423.340 3.596 50 0 HHAAMO C[C@@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000108150424 560898195 /nfs/dbraw/zinc/89/81/95/560898195.db2.gz GCCSGAHCZZOYRH-DYXWJJEUSA-N 1 1 409.530 3.981 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022908172 568416359 /nfs/dbraw/zinc/41/63/59/568416359.db2.gz WMTDHDAQJALXBO-FQEVSTJZSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022908172 568416360 /nfs/dbraw/zinc/41/63/60/568416360.db2.gz WMTDHDAQJALXBO-FQEVSTJZSA-N 1 1 423.513 3.742 50 0 HHAAMO CCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032304 568424629 /nfs/dbraw/zinc/42/46/29/568424629.db2.gz TUVSPSLTJFEAML-UHFFFAOYSA-N 1 1 420.538 3.924 50 0 HHAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032304 568424631 /nfs/dbraw/zinc/42/46/31/568424631.db2.gz TUVSPSLTJFEAML-UHFFFAOYSA-N 1 1 420.538 3.924 50 0 HHAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccc(C(C)C)cc2)[NH+]2CCCC2)c1 ZINC000048374888 568442588 /nfs/dbraw/zinc/44/25/88/568442588.db2.gz NSOWOPXWUMFPOA-QFIPXVFZSA-N 1 1 402.560 3.934 50 0 HHAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1OC ZINC000012284674 568458102 /nfs/dbraw/zinc/45/81/02/568458102.db2.gz PNOFSXQWZKTKFS-KRWDZBQOSA-N 1 1 422.485 3.605 50 0 HHAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1OC ZINC000012284674 568458104 /nfs/dbraw/zinc/45/81/04/568458104.db2.gz PNOFSXQWZKTKFS-KRWDZBQOSA-N 1 1 422.485 3.605 50 0 HHAAMO CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CC[NH+](C)CC3)cc21 ZINC000032986656 568510166 /nfs/dbraw/zinc/51/01/66/568510166.db2.gz JRANRSAOZUOORL-UHFFFAOYSA-N 1 1 405.498 3.697 50 0 HHAAMO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000222427206 568515670 /nfs/dbraw/zinc/51/56/70/568515670.db2.gz HBIHILGQENLYSC-TUNPWDSISA-N 1 1 407.599 3.698 50 0 HHAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)N2CC[NH+](C)CC2)c1C ZINC000020192802 568593758 /nfs/dbraw/zinc/59/37/58/568593758.db2.gz RDHHWYCHRJXQGX-FQEVSTJZSA-N 1 1 410.543 3.942 50 0 HHAAMO Cc1cc(N2CC[NH+](C[C@H]3CO[C@@H](c4ccc(Cl)cc4)O3)CC2)nc(C(C)C)n1 ZINC000095448101 568612496 /nfs/dbraw/zinc/61/24/96/568612496.db2.gz FITFLLREFQOPMD-SIKLNZKXSA-N 1 1 416.953 3.798 50 0 HHAAMO CCCC[N@@H+](CC(N)=O)Cc1c(-c2ccc(Br)s2)nc2ccccn21 ZINC000095454263 568616119 /nfs/dbraw/zinc/61/61/19/568616119.db2.gz RJAPODKMRGIECG-UHFFFAOYSA-N 1 1 421.364 3.913 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)c(C)c2)CC1 ZINC000020807246 568643956 /nfs/dbraw/zinc/64/39/56/568643956.db2.gz UUOGLYJSXAZDQO-GOSISDBHSA-N 1 1 404.938 3.527 50 0 HHAAMO C[C@@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020857484 568645709 /nfs/dbraw/zinc/64/57/09/568645709.db2.gz ODVTUYLPEXYOHS-VGSWGCGISA-N 1 1 424.545 3.964 50 0 HHAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020927372 568651560 /nfs/dbraw/zinc/65/15/60/568651560.db2.gz VVMJBTMDJXADJP-UHFFFAOYSA-N 1 1 424.526 3.620 50 0 HHAAMO C[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000095980595 568675347 /nfs/dbraw/zinc/67/53/47/568675347.db2.gz GCCSGAHCZZOYRH-SVFBPWRDSA-N 1 1 409.530 3.981 50 0 HHAAMO Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c1 ZINC000021171881 568676330 /nfs/dbraw/zinc/67/63/30/568676330.db2.gz XEKJGUFMMOCVJQ-HXUWFJFHSA-N 1 1 418.541 3.506 50 0 HHAAMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420339 568720501 /nfs/dbraw/zinc/72/05/01/568720501.db2.gz MTDASFVQYTWGOX-DGCLKSJQSA-N 1 1 407.146 3.683 50 0 HHAAMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000229848056 568715506 /nfs/dbraw/zinc/71/55/06/568715506.db2.gz JXZWVEUXGSBXNL-ICSRJNTNSA-N 1 1 411.594 3.770 50 0 HHAAMO Cc1nnc(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)n1-c1ccccc1C ZINC000096291126 568720750 /nfs/dbraw/zinc/72/07/50/568720750.db2.gz NYGOICMEPMQXQI-UHFFFAOYSA-N 1 1 421.570 3.564 50 0 HHAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 ZINC000015071843 568749165 /nfs/dbraw/zinc/74/91/65/568749165.db2.gz MCSDFMWVNHNTDL-QGZVFWFLSA-N 1 1 401.938 3.739 50 0 HHAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794459 568753452 /nfs/dbraw/zinc/75/34/52/568753452.db2.gz DHVVAXMRWXZGJP-UHFFFAOYSA-N 1 1 419.485 3.626 50 0 HHAAMO Cc1ccc(Nc2nc(NCC[N@H+]3CCc4ccccc4C3)nc3c2cnn3C)cc1 ZINC000021928940 568761539 /nfs/dbraw/zinc/76/15/39/568761539.db2.gz LKWXUQMTNPHJOV-UHFFFAOYSA-N 1 1 413.529 3.886 50 0 HHAAMO Cc1cccc(COc2coc(CN3CC[NH+](Cc4ccccc4)CC3)cc2=O)c1 ZINC000022577685 568770128 /nfs/dbraw/zinc/77/01/28/568770128.db2.gz COGBSXXDLANGEN-UHFFFAOYSA-N 1 1 404.510 3.845 50 0 HHAAMO O=C(/C=C\c1c(Cl)nc2sccn12)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000226690283 568821330 /nfs/dbraw/zinc/82/13/30/568821330.db2.gz MAEWQHOOFCQRSH-MWWKQMNYSA-N 1 1 417.918 3.507 50 0 HHAAMO O=C(/C=C\c1c(Cl)nc2sccn12)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000226690283 568821333 /nfs/dbraw/zinc/82/13/33/568821333.db2.gz MAEWQHOOFCQRSH-MWWKQMNYSA-N 1 1 417.918 3.507 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464028 568835125 /nfs/dbraw/zinc/83/51/25/568835125.db2.gz FJNSNQCJKHTLOS-PKTZIBPZSA-N 1 1 406.574 3.724 50 0 HHAAMO C[N@@H+](C[C@H]1CCCO1)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003058181 568851828 /nfs/dbraw/zinc/85/18/28/568851828.db2.gz KYCKPNHPBQTLKN-QGZVFWFLSA-N 1 1 401.498 3.977 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052992 568872328 /nfs/dbraw/zinc/87/23/28/568872328.db2.gz MHLQXVOWVVZPPS-YPMHNXCESA-N 1 1 407.146 3.826 50 0 HHAAMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012608908 568871484 /nfs/dbraw/zinc/87/14/84/568871484.db2.gz VCXDZSWALWEJQF-KRWDZBQOSA-N 1 1 401.938 3.944 50 0 HHAAMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012608908 568871486 /nfs/dbraw/zinc/87/14/86/568871486.db2.gz VCXDZSWALWEJQF-KRWDZBQOSA-N 1 1 401.938 3.944 50 0 HHAAMO Cc1ccsc1CNc1nc(C)c(-c2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000299769075 568873972 /nfs/dbraw/zinc/87/39/72/568873972.db2.gz MKJFYKZXHYLIJP-UHFFFAOYSA-N 1 1 403.577 3.629 50 0 HHAAMO Cn1c2ccccc2c2sc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2c1=O ZINC000058049214 568880267 /nfs/dbraw/zinc/88/02/67/568880267.db2.gz AKJIPHJCLSSBSG-UHFFFAOYSA-N 1 1 409.555 3.844 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC2(CC1)OCCO2 ZINC000058139761 568890729 /nfs/dbraw/zinc/89/07/29/568890729.db2.gz NYUVIKJSBAJWMO-KRWDZBQOSA-N 1 1 413.543 3.540 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)c(C)c2)CC1 ZINC000058148959 568892496 /nfs/dbraw/zinc/89/24/96/568892496.db2.gz OPFHAWMNSWQCOC-UHFFFAOYSA-N 1 1 402.542 3.993 50 0 HHAAMO CCCCOc1cc(C[NH2+]C[C@H](CN(C)C)[C@@H](O)c2ccccc2)ccc1OC ZINC000058152312 568892882 /nfs/dbraw/zinc/89/28/82/568892882.db2.gz ONXPXLPXAIUGHR-QPPBQGQZSA-N 1 1 400.563 3.875 50 0 HHAAMO CNC(=O)COc1ccc(CNc2cc(CCc3ccccc3)cc[nH+]2)cc1OC ZINC000083881836 568922228 /nfs/dbraw/zinc/92/22/28/568922228.db2.gz MGFPIWYWADQXRT-UHFFFAOYSA-N 1 1 405.498 3.612 50 0 HHAAMO c1c(-c2ccccc2)nc2sc(NCc3ccccc3C[NH+]3CCOCC3)nn12 ZINC000012747006 568932879 /nfs/dbraw/zinc/93/28/79/568932879.db2.gz IBGQJTXKTGRCLM-UHFFFAOYSA-N 1 1 405.527 3.902 50 0 HHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc43)c2C(N)=O)C1 ZINC000004087187 568940699 /nfs/dbraw/zinc/94/06/99/568940699.db2.gz YOPVXFCMZXIXJV-UHFFFAOYSA-N 1 1 407.539 3.948 50 0 HHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc43)c2C(N)=O)C1 ZINC000004087187 568940702 /nfs/dbraw/zinc/94/07/02/568940702.db2.gz YOPVXFCMZXIXJV-UHFFFAOYSA-N 1 1 407.539 3.948 50 0 HHAAMO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)Nc2sccc2C(N)=O)s1 ZINC000015523012 568945189 /nfs/dbraw/zinc/94/51/89/568945189.db2.gz ZSWYVKCKSOYEPF-UHFFFAOYSA-N 1 1 413.568 3.900 50 0 HHAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)Nc2sccc2C(N)=O)s1 ZINC000015523012 568945190 /nfs/dbraw/zinc/94/51/90/568945190.db2.gz ZSWYVKCKSOYEPF-UHFFFAOYSA-N 1 1 413.568 3.900 50 0 HHAAMO O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000084380047 568948459 /nfs/dbraw/zinc/94/84/59/568948459.db2.gz NZGPFZVTNSPYEH-UHFFFAOYSA-N 1 1 416.440 3.787 50 0 HHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 ZINC000012778640 568956360 /nfs/dbraw/zinc/95/63/60/568956360.db2.gz ZULXZIDBHBMIHR-ZIAGYGMSSA-N 1 1 420.966 3.643 50 0 HHAAMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000012779853 568956886 /nfs/dbraw/zinc/95/68/86/568956886.db2.gz BBOYEWGCOUTUGL-HNNXBMFYSA-N 1 1 407.436 3.623 50 0 HHAAMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000012779853 568956887 /nfs/dbraw/zinc/95/68/87/568956887.db2.gz BBOYEWGCOUTUGL-HNNXBMFYSA-N 1 1 407.436 3.623 50 0 HHAAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccsc1 ZINC000084771139 568958701 /nfs/dbraw/zinc/95/87/01/568958701.db2.gz KQSVDCDEHBXBHJ-CQSZACIVSA-N 1 1 407.483 3.523 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000004302312 568960141 /nfs/dbraw/zinc/96/01/41/568960141.db2.gz SQPGLXNRQXOGLG-QHCPKHFHSA-N 1 1 407.514 3.867 50 0 HHAAMO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008189510 568980855 /nfs/dbraw/zinc/98/08/55/568980855.db2.gz LOIKDFWJIMACGU-UHFFFAOYSA-N 1 1 405.498 3.958 50 0 HHAAMO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000008189510 568980856 /nfs/dbraw/zinc/98/08/56/568980856.db2.gz LOIKDFWJIMACGU-UHFFFAOYSA-N 1 1 405.498 3.958 50 0 HHAAMO COc1cc(C[N@H+](C)Cc2cc(=O)n3ccsc3n2)ccc1OCc1ccccc1 ZINC000008310264 568988581 /nfs/dbraw/zinc/98/85/81/568988581.db2.gz FRLKWRHJCYDYIJ-UHFFFAOYSA-N 1 1 421.522 3.976 50 0 HHAAMO COc1cc(C[N@@H+](C)Cc2cc(=O)n3ccsc3n2)ccc1OCc1ccccc1 ZINC000008310264 568988582 /nfs/dbraw/zinc/98/85/82/568988582.db2.gz FRLKWRHJCYDYIJ-UHFFFAOYSA-N 1 1 421.522 3.976 50 0 HHAAMO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107858 568991931 /nfs/dbraw/zinc/99/19/31/568991931.db2.gz RTSCTICDMHXMOB-GHTZIAJQSA-N 1 1 409.578 3.711 50 0 biogenic HHAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(NC(C)=O)c2)c2ccccc2)cc1 ZINC000012820263 568991986 /nfs/dbraw/zinc/99/19/86/568991986.db2.gz DJRQEMOUCJZIGE-DEOSSOPVSA-N 1 1 403.482 3.971 50 0 HHAAMO O=C1CCCN1CCCNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC000008428434 569002380 /nfs/dbraw/zinc/00/23/80/569002380.db2.gz SVDCRDOXDKKGPN-UHFFFAOYSA-N 1 1 413.591 3.590 50 0 HHAAMO CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3-c3ccco3)C[C@H]2CCO)CC1 ZINC000104633492 569008969 /nfs/dbraw/zinc/00/89/69/569008969.db2.gz KYEAKSSMVVWSFW-HSZRJFAPSA-N 1 1 411.590 3.688 50 0 HHAAMO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3-c3ccco3)C[C@H]2CCO)CC1 ZINC000104633492 569008970 /nfs/dbraw/zinc/00/89/70/569008970.db2.gz KYEAKSSMVVWSFW-HSZRJFAPSA-N 1 1 411.590 3.688 50 0 HHAAMO CCOc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc(Br)c1OC ZINC000012904504 569021099 /nfs/dbraw/zinc/02/10/99/569021099.db2.gz UJGMGFJAGQRLOQ-LBPRGKRZSA-N 1 1 405.296 3.750 50 0 HHAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1C ZINC000012944693 569028930 /nfs/dbraw/zinc/02/89/30/569028930.db2.gz DUCBWGWALMASDY-GJZGRUSLSA-N 1 1 414.575 3.606 50 0 HHAAMO C[N@@H+](CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)C1CCCCC1 ZINC000035398345 569035175 /nfs/dbraw/zinc/03/51/75/569035175.db2.gz JSRQBAQBOBKQFB-UHFFFAOYSA-N 1 1 421.589 3.741 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)c(C)c1 ZINC000575620990 569038898 /nfs/dbraw/zinc/03/88/98/569038898.db2.gz NFFQZFBSSBBMCE-GOSISDBHSA-N 1 1 404.557 3.800 50 0 HHAAMO COc1cccc(Cn2ncc3ccc(C(=O)NCC[N@H+]4CCC[C@H](C)C4)cc32)c1 ZINC000035560007 569044881 /nfs/dbraw/zinc/04/48/81/569044881.db2.gz HAMFKZCDTWWXPW-SFHVURJKSA-N 1 1 406.530 3.555 50 0 HHAAMO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)N1CCCCC1 ZINC000006357378 569045266 /nfs/dbraw/zinc/04/52/66/569045266.db2.gz QIDPWIKJFMARTD-QDSKXPNFSA-N 1 1 400.563 3.766 50 0 biogenic HHAAMO COc1cccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1OC(F)F ZINC000040013019 569047975 /nfs/dbraw/zinc/04/79/75/569047975.db2.gz BSUVPYGAVYPETB-IENJSVCTSA-N 1 1 402.441 3.825 50 0 HHAAMO COc1cccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1OC(F)F ZINC000040013019 569047976 /nfs/dbraw/zinc/04/79/76/569047976.db2.gz BSUVPYGAVYPETB-IENJSVCTSA-N 1 1 402.441 3.825 50 0 HHAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@H](C)O1 ZINC000012999039 569048945 /nfs/dbraw/zinc/04/89/45/569048945.db2.gz KUBHDMBHEZRVIV-HDICACEKSA-N 1 1 410.518 3.560 50 0 HHAAMO COc1cccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)[NH+](C)C)c1 ZINC000013005523 569049614 /nfs/dbraw/zinc/04/96/14/569049614.db2.gz UBVOLXAQIAVUEL-HSZRJFAPSA-N 1 1 400.478 3.939 50 0 HHAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(OC)c2OC)CC(C)C)cc1 ZINC000036097070 569090316 /nfs/dbraw/zinc/09/03/16/569090316.db2.gz NXYZIHCRPLGDTN-LJQANCHMSA-N 1 1 403.519 3.610 50 0 HHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)s1 ZINC000036101344 569091471 /nfs/dbraw/zinc/09/14/71/569091471.db2.gz DCKLCSBRHSJBCP-GOSISDBHSA-N 1 1 415.511 3.958 50 0 HHAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3C)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801021 569096908 /nfs/dbraw/zinc/09/69/08/569096908.db2.gz BSRRNCSIIRFVKQ-UHFFFAOYSA-N 1 1 403.486 3.926 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145877 569098346 /nfs/dbraw/zinc/09/83/46/569098346.db2.gz CNYLQCZEJARFTE-VXKWHMMOSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145877 569098347 /nfs/dbraw/zinc/09/83/47/569098347.db2.gz CNYLQCZEJARFTE-VXKWHMMOSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145865 569098350 /nfs/dbraw/zinc/09/83/50/569098350.db2.gz DQFGLAYYLOBEOW-VXKWHMMOSA-N 1 1 414.521 3.997 50 0 HHAAMO COc1cccc(CN2CC=C(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000064817987 569101263 /nfs/dbraw/zinc/10/12/63/569101263.db2.gz YIKNRDAAAMCPRK-UHFFFAOYSA-N 1 1 419.569 3.608 50 0 HHAAMO COc1ccc(-c2noc(-c3ccc(NCCC[N@H+]4CCC[C@H](C)C4)nn3)n2)cc1 ZINC000064838067 569106207 /nfs/dbraw/zinc/10/62/07/569106207.db2.gz GPCZYWJOZXUNOZ-INIZCTEOSA-N 1 1 408.506 3.736 50 0 HHAAMO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681567 569127600 /nfs/dbraw/zinc/12/76/00/569127600.db2.gz GJMMNJHLDBUAMN-QUCCMNQESA-N 1 1 409.496 3.836 50 0 HHAAMO CCN(CC)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310773 569131943 /nfs/dbraw/zinc/13/19/43/569131943.db2.gz GUUCNHQPHJNADZ-FQEVSTJZSA-N 1 1 420.985 3.917 50 0 HHAAMO CCC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)[C@@H](C)CC ZINC000036312149 569132757 /nfs/dbraw/zinc/13/27/57/569132757.db2.gz OKUOEXMEWQYRLY-INIZCTEOSA-N 1 1 402.514 3.770 50 0 HHAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000036343580 569142426 /nfs/dbraw/zinc/14/24/26/569142426.db2.gz HKCAAZFXPUGJHO-XMMPIXPASA-N 1 1 404.558 3.537 50 0 HHAAMO Cc1ccc2c(c1)N(CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C(=O)c1cccnc1O2 ZINC000006878076 569164988 /nfs/dbraw/zinc/16/49/88/569164988.db2.gz LTCCSDIZLAMOOM-SFHVURJKSA-N 1 1 422.529 3.523 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)C1 ZINC000036391818 569167527 /nfs/dbraw/zinc/16/75/27/569167527.db2.gz VDBHQVRNGYZTEV-LJQANCHMSA-N 1 1 419.525 3.652 50 0 HHAAMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000006927540 569183641 /nfs/dbraw/zinc/18/36/41/569183641.db2.gz VGGOQMDLCUWUBS-YGOYIFOWSA-N 1 1 408.498 3.722 50 0 biogenic HHAAMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000006927540 569183642 /nfs/dbraw/zinc/18/36/42/569183642.db2.gz VGGOQMDLCUWUBS-YGOYIFOWSA-N 1 1 408.498 3.722 50 0 biogenic HHAAMO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)NCc1ccc(F)cc1 ZINC000065184233 569191402 /nfs/dbraw/zinc/19/14/02/569191402.db2.gz YUFBBHGPFGTIRB-UHFFFAOYSA-N 1 1 412.440 3.511 50 0 HHAAMO Clc1cccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCOCC3)no2)c1 ZINC000065255081 569207625 /nfs/dbraw/zinc/20/76/25/569207625.db2.gz MBXJGKXMEGRNHK-UHFFFAOYSA-N 1 1 409.877 3.739 50 0 HHAAMO Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)c12 ZINC000036619323 569210670 /nfs/dbraw/zinc/21/06/70/569210670.db2.gz AFXIWLIHMJBYCH-UHFFFAOYSA-N 1 1 413.441 3.678 50 0 HHAAMO C[NH+](C)[C@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000065575943 569235999 /nfs/dbraw/zinc/23/59/99/569235999.db2.gz OZHGIVOZDBUQDH-UZLBHIALSA-N 1 1 416.363 3.695 50 0 HHAAMO O=S(=O)(NC1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccccc1 ZINC000014309506 569259412 /nfs/dbraw/zinc/25/94/12/569259412.db2.gz QCFDWPIDKFFZFU-UHFFFAOYSA-N 1 1 401.919 3.836 50 0 HHAAMO Cc1ccc(CN2CCC([NH+]3CCN(c4ncccc4C(F)(F)F)CC3)CC2)o1 ZINC000252484293 569289216 /nfs/dbraw/zinc/28/92/16/569289216.db2.gz FTVQSNASSWNHKM-UHFFFAOYSA-N 1 1 408.468 3.788 50 0 HHAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297181 569292974 /nfs/dbraw/zinc/29/29/74/569292974.db2.gz IIPHBJNWTGGAQV-ZDUSSCGKSA-N 1 1 411.399 3.577 50 0 HHAAMO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297181 569292976 /nfs/dbraw/zinc/29/29/76/569292976.db2.gz IIPHBJNWTGGAQV-ZDUSSCGKSA-N 1 1 411.399 3.577 50 0 HHAAMO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000007641660 569298322 /nfs/dbraw/zinc/29/83/22/569298322.db2.gz UQRCJAXPLYQMBQ-RUZDIDTESA-N 1 1 418.493 3.762 50 0 HHAAMO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c2ccccc2)cc1 ZINC000007641660 569298324 /nfs/dbraw/zinc/29/83/24/569298324.db2.gz UQRCJAXPLYQMBQ-RUZDIDTESA-N 1 1 418.493 3.762 50 0 HHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000252674596 569319520 /nfs/dbraw/zinc/31/95/20/569319520.db2.gz SIXCHSTYCOPRDB-PGRDOPGGSA-N 1 1 421.545 3.591 50 0 HHAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)CC1 ZINC000581819762 569320715 /nfs/dbraw/zinc/32/07/15/569320715.db2.gz JPIFHPREBNXGFK-JOCHJYFZSA-N 1 1 414.594 3.506 50 0 HHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000013769567 569357172 /nfs/dbraw/zinc/35/71/72/569357172.db2.gz KHSPNQFTGFMJJP-WUMKDDEVSA-N 1 1 414.546 3.532 50 0 HHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000013769567 569357173 /nfs/dbraw/zinc/35/71/73/569357173.db2.gz KHSPNQFTGFMJJP-WUMKDDEVSA-N 1 1 414.546 3.532 50 0 HHAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCn1cnc2ccccc2c1=O ZINC000253406228 569366042 /nfs/dbraw/zinc/36/60/42/569366042.db2.gz IUAHIFOJXGFEPE-NZQKXSOJSA-N 1 1 424.589 3.680 50 0 biogenic HHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000002418175 569397521 /nfs/dbraw/zinc/39/75/21/569397521.db2.gz KHSPNQFTGFMJJP-CTUHWIOQSA-N 1 1 414.546 3.532 50 0 HHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000002418175 569397522 /nfs/dbraw/zinc/39/75/22/569397522.db2.gz KHSPNQFTGFMJJP-CTUHWIOQSA-N 1 1 414.546 3.532 50 0 HHAAMO C[N@@H+]1C[C@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@]12c1ccccc1NC2=O ZINC000013143204 569409960 /nfs/dbraw/zinc/40/99/60/569409960.db2.gz QHOFUTURFHYTTR-LIKDZFNVSA-N 1 1 410.473 3.825 50 0 HHAAMO C[N@H+]1C[C@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@]12c1ccccc1NC2=O ZINC000013143204 569409961 /nfs/dbraw/zinc/40/99/61/569409961.db2.gz QHOFUTURFHYTTR-LIKDZFNVSA-N 1 1 410.473 3.825 50 0 HHAAMO COc1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000079048573 569425279 /nfs/dbraw/zinc/42/52/79/569425279.db2.gz GWCIHZSRGXISRT-CYBMUJFWSA-N 1 1 405.907 3.882 50 0 HHAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008489654 571056100 /nfs/dbraw/zinc/05/61/00/571056100.db2.gz DNNBQOCVRVHOPO-OAHLLOKOSA-N 1 1 423.538 3.909 50 0 HHAAMO Cc1cccc(-c2ncc(CN3CC[N@@H+](Cc4ccccc4C)[C@H](CCO)C3)cn2)c1 ZINC000039485093 571132492 /nfs/dbraw/zinc/13/24/92/571132492.db2.gz PHGLOOLLTQJPKE-RUZDIDTESA-N 1 1 416.569 3.829 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1F ZINC000008901366 571144658 /nfs/dbraw/zinc/14/46/58/571144658.db2.gz FEUWNLDBBJGYAJ-GOSISDBHSA-N 1 1 412.552 3.791 50 0 HHAAMO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000008901426 571144943 /nfs/dbraw/zinc/14/49/43/571144943.db2.gz MCUZQUDCZSUABZ-QGZVFWFLSA-N 1 1 400.516 3.922 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(I)cc1 ZINC000040108155 571168014 /nfs/dbraw/zinc/16/80/14/571168014.db2.gz YXRZNWJCVJZMGU-AWEZNQCLSA-N 1 1 400.304 3.676 50 0 HHAAMO Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)C ZINC000040157546 571204157 /nfs/dbraw/zinc/20/41/57/571204157.db2.gz LMDCUKVYSGGTTP-QHCPKHFHSA-N 1 1 413.606 3.864 50 0 HHAAMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(C[C@H]4CCCCO4)CC3)CC2)c1 ZINC000244969028 571210904 /nfs/dbraw/zinc/21/09/04/571210904.db2.gz GUWCLVJGBGJEOW-OAQYLSRUSA-N 1 1 411.512 3.861 50 0 HHAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000069595236 571232522 /nfs/dbraw/zinc/23/25/22/571232522.db2.gz IQIVOQLLAPQZAB-UHFFFAOYSA-N 1 1 418.607 3.850 50 0 HHAAMO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000069848267 571247053 /nfs/dbraw/zinc/24/70/53/571247053.db2.gz BSEAJEQQHIZETE-UHFFFAOYSA-N 1 1 415.541 3.806 50 0 HHAAMO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871502 571317124 /nfs/dbraw/zinc/31/71/24/571317124.db2.gz HYJDCEDDPYFPOB-AZUAARDMSA-N 1 1 407.480 3.590 50 0 HHAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000011668168 962158858 /nfs/dbraw/zinc/15/88/58/962158858.db2.gz YBUOTDQLQMGJLA-OAQYLSRUSA-N 1 1 420.582 3.908 50 0 HHAAMO C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)[nH]c1=O)c1cccc2ccccc21 ZINC000012328925 962272273 /nfs/dbraw/zinc/27/22/73/962272273.db2.gz DJRIGXDDIHOUCF-MRXNPFEDSA-N 1 1 407.539 3.568 50 0 HHAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000012571643 962293154 /nfs/dbraw/zinc/29/31/54/962293154.db2.gz IZBOBCVICSPNKG-QHCPKHFHSA-N 1 1 405.542 3.593 50 0 HHAAMO CCn1cc(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c(C)n1 ZINC000012708730 962315605 /nfs/dbraw/zinc/31/56/05/962315605.db2.gz BWGASRSRGOFNDJ-OAQYLSRUSA-N 1 1 410.606 3.539 50 0 HHAAMO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@@H+](C1Cc3ccccc3C1)CC2 ZINC000014538857 962524795 /nfs/dbraw/zinc/52/47/95/962524795.db2.gz FBOVTOGHNLHQJP-UHFFFAOYSA-N 1 1 401.510 3.634 50 0 HHAAMO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@H+](C1Cc3ccccc3C1)CC2 ZINC000014538857 962524814 /nfs/dbraw/zinc/52/48/14/962524814.db2.gz FBOVTOGHNLHQJP-UHFFFAOYSA-N 1 1 401.510 3.634 50 0 HHAAMO COC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3NC(=O)c3ccncc3)C2)cc1 ZINC000014948039 962613147 /nfs/dbraw/zinc/61/31/47/962613147.db2.gz AGMLYMHVDYNCRS-UHFFFAOYSA-N 1 1 401.466 3.679 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCc3c(cccc3NC(=O)c3ccncc3)C2)cc1 ZINC000014948039 962613158 /nfs/dbraw/zinc/61/31/58/962613158.db2.gz AGMLYMHVDYNCRS-UHFFFAOYSA-N 1 1 401.466 3.679 50 0 HHAAMO O=C(CCn1cccn1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015073096 962647324 /nfs/dbraw/zinc/64/73/24/962647324.db2.gz ONNHZAKHNMOQMM-JOCHJYFZSA-N 1 1 409.578 3.742 50 0 HHAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1cccn1-c1ccccn1)CC2)[C@H]1CCCO1 ZINC000020451226 963389101 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ZINC000012387486 558396523 /nfs/dbraw/zinc/39/65/23/558396523.db2.gz NQWJUTVKELRZBZ-HSZRJFAPSA-N 1 1 414.565 3.973 50 0 HHAAMO CC(=O)Nc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012431989 558406546 /nfs/dbraw/zinc/40/65/46/558406546.db2.gz AQTPMDKUARGKSZ-RUZDIDTESA-N 1 1 405.542 3.816 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000012432946 558407027 /nfs/dbraw/zinc/40/70/27/558407027.db2.gz SDXUSSIYJXKPSX-HXUWFJFHSA-N 1 1 405.608 3.543 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO ZINC000012439614 558411029 /nfs/dbraw/zinc/41/10/29/558411029.db2.gz SFOWJLJQRVAIDN-GOSISDBHSA-N 1 1 401.478 3.820 50 0 HHAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)c1 ZINC000020776681 558412080 /nfs/dbraw/zinc/41/20/80/558412080.db2.gz XOEVNSNSUCFBOV-FQEVSTJZSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)c1 ZINC000020776681 558412083 /nfs/dbraw/zinc/41/20/83/558412083.db2.gz XOEVNSNSUCFBOV-FQEVSTJZSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)c1 ZINC000020776681 558412086 /nfs/dbraw/zinc/41/20/86/558412086.db2.gz XOEVNSNSUCFBOV-FQEVSTJZSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CCO)c1 ZINC000020776681 558412089 /nfs/dbraw/zinc/41/20/89/558412089.db2.gz XOEVNSNSUCFBOV-FQEVSTJZSA-N 1 1 408.464 3.783 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000020821166 558416798 /nfs/dbraw/zinc/41/67/98/558416798.db2.gz MLLKSGHPZNWZPF-IBGZPJMESA-N 1 1 413.537 3.923 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 ZINC000012464511 558420183 /nfs/dbraw/zinc/42/01/83/558420183.db2.gz NOPYWVSREOIVNE-JOCHJYFZSA-N 1 1 417.550 3.656 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)COC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000021057782 558430616 /nfs/dbraw/zinc/43/06/16/558430616.db2.gz JLZQQGNQDHCNSZ-BGYRXZFFSA-N 1 1 410.558 3.797 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)COC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000021057782 558430619 /nfs/dbraw/zinc/43/06/19/558430619.db2.gz JLZQQGNQDHCNSZ-BGYRXZFFSA-N 1 1 410.558 3.797 50 0 HHAAMO C[N@H+]1CCC[C@@]2(CCCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)C1 ZINC000012715668 558455156 /nfs/dbraw/zinc/45/51/56/558455156.db2.gz DFZYFWYFYCQVCS-HXUWFJFHSA-N 1 1 408.468 3.987 50 0 HHAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000012803669 558472786 /nfs/dbraw/zinc/47/27/86/558472786.db2.gz OWBRUIJSXIBQII-HNNXBMFYSA-N 1 1 423.916 3.919 50 0 HHAAMO O=C(COc1ccccc1C1SCCS1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022504303 558492293 /nfs/dbraw/zinc/49/22/93/558492293.db2.gz YBARUVLFOAODMM-UHFFFAOYSA-N 1 1 414.596 3.888 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000012978995 558492770 /nfs/dbraw/zinc/49/27/70/558492770.db2.gz MAOYRHCVINJDBE-HNNXBMFYSA-N 1 1 416.319 3.738 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000012978995 558492772 /nfs/dbraw/zinc/49/27/72/558492772.db2.gz MAOYRHCVINJDBE-HNNXBMFYSA-N 1 1 416.319 3.738 50 0 HHAAMO C[C@H](NC(=O)CN1CC[NH+](CCOc2ccccc2)CC1)c1cccc2ccccc21 ZINC000022774315 558509099 /nfs/dbraw/zinc/50/90/99/558509099.db2.gz QJURTBGGAFUGOL-NRFANRHFSA-N 1 1 417.553 3.714 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@H+]1C1CCCCC1 ZINC000023358106 558551497 /nfs/dbraw/zinc/55/14/97/558551497.db2.gz QWEXDTVSFOLJSD-HXUWFJFHSA-N 1 1 402.970 3.727 50 0 HHAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013636650 558554720 /nfs/dbraw/zinc/55/47/20/558554720.db2.gz PONQJXXFDOLPEL-SFHVURJKSA-N 1 1 412.505 3.906 50 0 HHAAMO S=c1n(CN2CC[NH+](Cc3cccs3)CC2)nc(-c2ccncc2)n1C1CC1 ZINC000023475649 558559161 /nfs/dbraw/zinc/55/91/61/558559161.db2.gz LQNBGMIFXDUZCS-UHFFFAOYSA-N 1 1 412.588 3.648 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023736653 558572407 /nfs/dbraw/zinc/57/24/07/558572407.db2.gz HEHYFNCKJMTBRG-UHFFFAOYSA-N 1 1 408.546 3.515 50 0 HHAAMO FC(F)(F)c1ccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000013725725 558584184 /nfs/dbraw/zinc/58/41/84/558584184.db2.gz DSHCHJSZSVBLGC-QGZVFWFLSA-N 1 1 401.498 3.979 50 0 HHAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000013768263 558591214 /nfs/dbraw/zinc/59/12/14/558591214.db2.gz ZVKBSENSURYYII-QPTUXGOLSA-N 1 1 400.563 3.812 50 0 HHAAMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OCc1cscn1 ZINC000024443857 558597597 /nfs/dbraw/zinc/59/75/97/558597597.db2.gz YVKYAVOFVAMWFA-FQEVSTJZSA-N 1 1 423.538 3.860 50 0 HHAAMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OCc1cscn1 ZINC000024443857 558597600 /nfs/dbraw/zinc/59/76/00/558597600.db2.gz YVKYAVOFVAMWFA-FQEVSTJZSA-N 1 1 423.538 3.860 50 0 HHAAMO Cc1c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1cccc(Cl)c1 ZINC000024572120 558601408 /nfs/dbraw/zinc/60/14/08/558601408.db2.gz SPMJCFLNNMGANE-UHFFFAOYSA-N 1 1 424.932 3.596 50 0 HHAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014138855 558624574 /nfs/dbraw/zinc/62/45/74/558624574.db2.gz PDCPZSHPWZBTBO-HSZRJFAPSA-N 1 1 402.542 3.861 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000025407823 558640130 /nfs/dbraw/zinc/64/01/30/558640130.db2.gz DFBWYHBVLHHDFB-IYBDPMFKSA-N 1 1 405.539 3.651 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000025407823 558640131 /nfs/dbraw/zinc/64/01/31/558640131.db2.gz DFBWYHBVLHHDFB-IYBDPMFKSA-N 1 1 405.539 3.651 50 0 HHAAMO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc2c(c1)OCO2 ZINC000027228296 558671152 /nfs/dbraw/zinc/67/11/52/558671152.db2.gz NERYGNRIINGLTM-UHFFFAOYSA-N 1 1 403.482 3.644 50 0 HHAAMO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc2c(c1)OCO2 ZINC000027228296 558671155 /nfs/dbraw/zinc/67/11/55/558671155.db2.gz NERYGNRIINGLTM-UHFFFAOYSA-N 1 1 403.482 3.644 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 ZINC000014972318 558687851 /nfs/dbraw/zinc/68/78/51/558687851.db2.gz DHCIPRKTRHLGMD-FQEVSTJZSA-N 1 1 408.542 3.925 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC ZINC000014980167 558690825 /nfs/dbraw/zinc/69/08/25/558690825.db2.gz FTUICHASAHRRDU-FQEVSTJZSA-N 1 1 414.468 3.861 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014996697 558696315 /nfs/dbraw/zinc/69/63/15/558696315.db2.gz SVFMORRGCMIXQU-HXUWFJFHSA-N 1 1 421.545 3.755 50 0 HHAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000015000424 558697648 /nfs/dbraw/zinc/69/76/48/558697648.db2.gz WWIKWSYPAUSTHD-NRFANRHFSA-N 1 1 423.605 3.800 50 0 HHAAMO O=C(c1cscn1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015071763 558713337 /nfs/dbraw/zinc/71/33/37/558713337.db2.gz OKPAJFUMJZLAHX-QGZVFWFLSA-N 1 1 424.492 3.589 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3noc4c3CCc3sccc3-4)cc2)CC1 ZINC000022937403 558724890 /nfs/dbraw/zinc/72/48/90/558724890.db2.gz OTDPKDBRAMPBPS-UHFFFAOYSA-N 1 1 422.554 3.892 50 0 HHAAMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015372310 558736327 /nfs/dbraw/zinc/73/63/27/558736327.db2.gz OAQWZJCOBXPJGK-JOCHJYFZSA-N 1 1 424.541 3.824 50 0 HHAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016035050 558769755 /nfs/dbraw/zinc/76/97/55/558769755.db2.gz UXSHDDIEYDPBJS-UEQSERJNSA-N 1 1 408.457 3.944 50 0 HHAAMO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016035050 558769756 /nfs/dbraw/zinc/76/97/56/558769756.db2.gz UXSHDDIEYDPBJS-UEQSERJNSA-N 1 1 408.457 3.944 50 0 HHAAMO CCc1ccc([C@H](CNS(=O)(=O)c2ccccc2Br)[NH+](C)C)cc1 ZINC000016088171 558771423 /nfs/dbraw/zinc/77/14/23/558771423.db2.gz IESIRIDZWCRMNR-KRWDZBQOSA-N 1 1 411.365 3.593 50 0 HHAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031937 558796799 /nfs/dbraw/zinc/79/67/99/558796799.db2.gz DBBZNOMZHYKVEQ-FQEVSTJZSA-N 1 1 409.457 3.997 50 0 HHAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031937 558796801 /nfs/dbraw/zinc/79/68/01/558796801.db2.gz DBBZNOMZHYKVEQ-FQEVSTJZSA-N 1 1 409.457 3.997 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000018265633 558835041 /nfs/dbraw/zinc/83/50/41/558835041.db2.gz LMMTXOJCMOEZPN-IBGZPJMESA-N 1 1 401.869 3.688 50 0 HHAAMO CC(C)c1c(C(=O)N2CC[NH+](C(C)C)CC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000055358009 558879861 /nfs/dbraw/zinc/87/98/61/558879861.db2.gz XIIBGPRWXALLRJ-UHFFFAOYSA-N 1 1 424.574 3.680 50 0 HHAAMO Cc1cc(=O)oc2cc(NC(=S)N3CC[NH+](CCc4ccccc4)CC3)ccc12 ZINC000055552099 558882298 /nfs/dbraw/zinc/88/22/98/558882298.db2.gz IJCNITQNXQIMBP-UHFFFAOYSA-N 1 1 407.539 3.659 50 0 HHAAMO CSc1ccc(Cl)c(C(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)c1 ZINC000058101573 558899104 /nfs/dbraw/zinc/89/91/04/558899104.db2.gz GADVQZWRBNBYMM-UHFFFAOYSA-N 1 1 404.967 3.529 50 0 HHAAMO O=S(=O)(c1ccccc1F)N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058158608 558903794 /nfs/dbraw/zinc/90/37/94/558903794.db2.gz BFVNUDSALSSJKX-FPOVZHCZSA-N 1 1 402.535 3.891 50 0 HHAAMO CCC[N@@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058282167 558916413 /nfs/dbraw/zinc/91/64/13/558916413.db2.gz SZRAEKPEZZEFRO-HSZRJFAPSA-N 1 1 404.558 3.880 50 0 HHAAMO CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058282167 558916416 /nfs/dbraw/zinc/91/64/16/558916416.db2.gz SZRAEKPEZZEFRO-HSZRJFAPSA-N 1 1 404.558 3.880 50 0 HHAAMO CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058282167 558916418 /nfs/dbraw/zinc/91/64/18/558916418.db2.gz SZRAEKPEZZEFRO-HSZRJFAPSA-N 1 1 404.558 3.880 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635744 558947512 /nfs/dbraw/zinc/94/75/12/558947512.db2.gz WVJCNWGHJGBCLF-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635744 558947515 /nfs/dbraw/zinc/94/75/15/558947515.db2.gz WVJCNWGHJGBCLF-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO O=C1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1 ZINC000072418945 558978219 /nfs/dbraw/zinc/97/82/19/558978219.db2.gz MAQXBKBCCZOVKG-UHFFFAOYSA-N 1 1 409.873 3.606 50 0 HHAAMO O=C(c1cccc2ccccc21)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072437167 558980495 /nfs/dbraw/zinc/98/04/95/558980495.db2.gz KGIIGQOSSWRGSX-UHFFFAOYSA-N 1 1 401.514 3.583 50 0 HHAAMO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072437298 558980696 /nfs/dbraw/zinc/98/06/96/558980696.db2.gz QBRJWJVDJCXFPV-UHFFFAOYSA-N 1 1 416.529 3.974 50 0 HHAAMO CCc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000022024947 558985050 /nfs/dbraw/zinc/98/50/50/558985050.db2.gz WLZGZOCGRQKJHU-SFHVURJKSA-N 1 1 415.965 3.926 50 0 HHAAMO CCNc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]c(C)n1 ZINC000067630197 558990512 /nfs/dbraw/zinc/99/05/12/558990512.db2.gz DZFZERAXXXTYBF-UHFFFAOYSA-N 1 1 401.514 3.846 50 0 HHAAMO Cc1noc(C)c1C[NH+]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc32)CC1 ZINC000097054120 559033942 /nfs/dbraw/zinc/03/39/42/559033942.db2.gz BURYAMJFJKAGKU-UHFFFAOYSA-N 1 1 410.909 3.771 50 0 HHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082087634 559036793 /nfs/dbraw/zinc/03/67/93/559036793.db2.gz JFYISXLPKMCBRP-QFIPXVFZSA-N 1 1 410.606 3.551 50 0 HHAAMO CCCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 ZINC000082097619 559037743 /nfs/dbraw/zinc/03/77/43/559037743.db2.gz JOZRIMGDSFHXFQ-JOCHJYFZSA-N 1 1 412.622 3.939 50 0 HHAAMO CN(CC1CCCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082098560 559037969 /nfs/dbraw/zinc/03/79/69/559037969.db2.gz QZTVEWUAXHQNGO-HSZRJFAPSA-N 1 1 412.622 3.797 50 0 HHAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)o1 ZINC000082120109 559039213 /nfs/dbraw/zinc/03/92/13/559039213.db2.gz FHOYVOMGUMPNAW-QFIPXVFZSA-N 1 1 409.574 3.623 50 0 HHAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 ZINC000095501132 559082231 /nfs/dbraw/zinc/08/22/31/559082231.db2.gz GOZTYOLDBPZTKM-INIZCTEOSA-N 1 1 402.489 3.805 50 0 HHAAMO Cc1occc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095531825 559087123 /nfs/dbraw/zinc/08/71/23/559087123.db2.gz AZLUDENEZUNBQR-LJQANCHMSA-N 1 1 401.526 3.643 50 0 HHAAMO Cc1cccc2nc(C(=O)N3CCC4(CC3)C[C@H](c3ccccc3)C[N@H+](C)C4)cn21 ZINC000096136161 559095500 /nfs/dbraw/zinc/09/55/00/559095500.db2.gz CCELZQFVLMHBPK-NRFANRHFSA-N 1 1 402.542 3.984 50 0 HHAAMO Cc1nc2ncnn2c(N2CCC([N@H+]3CCC[C@H](C)C3)CC2)c1Cc1ccccc1 ZINC000023322590 559140827 /nfs/dbraw/zinc/14/08/27/559140827.db2.gz POPCRKOYKMNAFT-SFHVURJKSA-N 1 1 404.562 3.724 50 0 HHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000014059304 559147287 /nfs/dbraw/zinc/14/72/87/559147287.db2.gz ZRXPBQQDJXHOBQ-UHFFFAOYSA-N 1 1 423.991 3.998 50 0 HHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000014059304 559147289 /nfs/dbraw/zinc/14/72/89/559147289.db2.gz ZRXPBQQDJXHOBQ-UHFFFAOYSA-N 1 1 423.991 3.998 50 0 HHAAMO O=C1C[N@H+](CCc2ccccc2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000014541961 559167905 /nfs/dbraw/zinc/16/79/05/559167905.db2.gz XEOTXAIJHORAJF-RUZDIDTESA-N 1 1 415.537 3.554 50 0 HHAAMO O=C1C[N@@H+](CCc2ccccc2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000014541961 559167906 /nfs/dbraw/zinc/16/79/06/559167906.db2.gz XEOTXAIJHORAJF-RUZDIDTESA-N 1 1 415.537 3.554 50 0 HHAAMO Cc1ccc(-c2noc(CCC(=O)NCCC[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000004921173 559206893 /nfs/dbraw/zinc/20/68/93/559206893.db2.gz BHZFNCPVQGHBLA-UHFFFAOYSA-N 1 1 404.514 3.542 50 0 HHAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nn2)CC1 ZINC000004939853 559212368 /nfs/dbraw/zinc/21/23/68/559212368.db2.gz XYACTSZTWBSZOB-UHFFFAOYSA-N 1 1 407.905 3.801 50 0 HHAAMO CCOc1ccc(-c2noc(CCC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)n2)cc1 ZINC000024443882 560818848 /nfs/dbraw/zinc/81/88/48/560818848.db2.gz JVQRSOHHTJDFMX-NRFANRHFSA-N 1 1 420.513 3.583 50 0 HHAAMO CCOc1ccc(-c2noc(CCC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)n2)cc1 ZINC000024443882 560818850 /nfs/dbraw/zinc/81/88/50/560818850.db2.gz JVQRSOHHTJDFMX-NRFANRHFSA-N 1 1 420.513 3.583 50 0 HHAAMO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2)CCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000103985931 560846451 /nfs/dbraw/zinc/84/64/51/560846451.db2.gz SOSJSQXPSSZICL-LPTQZCDUSA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2)CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000103985931 560846453 /nfs/dbraw/zinc/84/64/53/560846453.db2.gz SOSJSQXPSSZICL-LPTQZCDUSA-N 1 1 409.357 3.767 50 0 HHAAMO C[C@@H]1CN(C[C@@H](O)c2ccc(Cl)cc2)CC[N@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000103985931 560846455 /nfs/dbraw/zinc/84/64/55/560846455.db2.gz SOSJSQXPSSZICL-LPTQZCDUSA-N 1 1 409.357 3.767 50 0 HHAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984317 560858916 /nfs/dbraw/zinc/85/89/16/560858916.db2.gz WYVCMRDEPCENNA-FGZHOGPDSA-N 1 1 414.521 3.997 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983517 560859265 /nfs/dbraw/zinc/85/92/65/560859265.db2.gz DSMSFORBEPAZLK-LEWJYISDSA-N 1 1 400.494 3.607 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983517 560859268 /nfs/dbraw/zinc/85/92/68/560859268.db2.gz DSMSFORBEPAZLK-LEWJYISDSA-N 1 1 400.494 3.607 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012052580 560887877 /nfs/dbraw/zinc/88/78/77/560887877.db2.gz MHRHKCIPQQRAHL-JOCHJYFZSA-N 1 1 406.954 3.539 50 0 HHAAMO Cc1ccc(CNCc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)o1 ZINC000012053883 560887930 /nfs/dbraw/zinc/88/79/30/560887930.db2.gz CKSMJQIBTQQFHG-HSZRJFAPSA-N 1 1 406.526 3.676 50 0 HHAAMO Cc1ccc(CNCc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)o1 ZINC000012053883 560887931 /nfs/dbraw/zinc/88/79/31/560887931.db2.gz CKSMJQIBTQQFHG-HSZRJFAPSA-N 1 1 406.526 3.676 50 0 HHAAMO OCC[C@@H]1CCCC[N@H+]1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000108922252 568420206 /nfs/dbraw/zinc/42/02/06/568420206.db2.gz DZYHFIDFXUNEFW-VXKWHMMOSA-N 1 1 405.485 3.669 50 0 HHAAMO CCCc1nn2c(nc(C[N@H+](CCOC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032534 568424776 /nfs/dbraw/zinc/42/47/76/568424776.db2.gz XHXYIPIMVNUVGK-UHFFFAOYSA-N 1 1 414.575 3.876 50 0 HHAAMO CCCc1nn2c(nc(C[N@@H+](CCOC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032534 568424777 /nfs/dbraw/zinc/42/47/77/568424777.db2.gz XHXYIPIMVNUVGK-UHFFFAOYSA-N 1 1 414.575 3.876 50 0 HHAAMO Cc1nn2c(nc(NCC3CCN(CC[NH+](C)C)CC3)c3ccccc32)c1Cl ZINC000048309305 568436375 /nfs/dbraw/zinc/43/63/75/568436375.db2.gz SIQHMUVFRLHJKP-UHFFFAOYSA-N 1 1 400.958 3.530 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Cl)ccc1I ZINC000048310180 568436497 /nfs/dbraw/zinc/43/64/97/568436497.db2.gz YPUSLYDKRYILAT-GFCCVEGCSA-N 1 1 420.722 3.939 50 0 HHAAMO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)n1 ZINC000048300277 568437277 /nfs/dbraw/zinc/43/72/77/568437277.db2.gz WWUPCYGVTGSGPZ-NRFANRHFSA-N 1 1 402.498 3.602 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)Nc1cccc(-n2nc(C)cc2C)c1)[NH+](C)C ZINC000048301226 568437359 /nfs/dbraw/zinc/43/73/59/568437359.db2.gz MNWABLFJYJVVPI-NRFANRHFSA-N 1 1 407.518 3.922 50 0 HHAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1 ZINC000021735781 568467901 /nfs/dbraw/zinc/46/79/01/568467901.db2.gz ZAGGPWZFCJWVGD-GOSISDBHSA-N 1 1 422.554 3.658 50 0 HHAAMO F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000095369282 568602196 /nfs/dbraw/zinc/60/21/96/568602196.db2.gz LCGNCAYAIHHGEW-HNNXBMFYSA-N 1 1 408.346 3.776 50 0 HHAAMO CC[NH+]1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)CC1 ZINC000020436814 568607162 /nfs/dbraw/zinc/60/71/62/568607162.db2.gz STNXFDVXQHVUCW-UHFFFAOYSA-N 1 1 419.573 3.751 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020867172 568646873 /nfs/dbraw/zinc/64/68/73/568646873.db2.gz PKOMNJGTSZXKKI-HNNXBMFYSA-N 1 1 418.584 3.697 50 0 HHAAMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(O)c1 ZINC000021004174 568657583 /nfs/dbraw/zinc/65/75/83/568657583.db2.gz KLABALXKZLDSOB-UHFFFAOYSA-N 1 1 402.494 3.948 50 0 HHAAMO C[NH+]1CCC2(CN(C(=O)c3ccccc3F)C[C@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000097138435 568714713 /nfs/dbraw/zinc/71/47/13/568714713.db2.gz BHKXBLMMILTUPN-IBGZPJMESA-N 1 1 419.504 3.562 50 0 HHAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1OC ZINC000021794049 568753428 /nfs/dbraw/zinc/75/34/28/568753428.db2.gz IIFHKXSQZMTIGT-UHFFFAOYSA-N 1 1 407.474 3.864 50 0 HHAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1OC ZINC000021794049 568753429 /nfs/dbraw/zinc/75/34/29/568753429.db2.gz IIFHKXSQZMTIGT-UHFFFAOYSA-N 1 1 407.474 3.864 50 0 HHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000021794483 568753458 /nfs/dbraw/zinc/75/34/58/568753458.db2.gz XSTMAJORHFQRDN-UHFFFAOYSA-N 1 1 407.449 3.757 50 0 HHAAMO Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000021795856 568753722 /nfs/dbraw/zinc/75/37/22/568753722.db2.gz ASNIRITVXABHJP-UHFFFAOYSA-N 1 1 414.941 3.701 50 0 HHAAMO CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](CC)CC2)cc1 ZINC000022460170 568768427 /nfs/dbraw/zinc/76/84/27/568768427.db2.gz YAMIJFKDDSLKMU-LAUBAEHRSA-N 1 1 401.576 3.644 50 0 HHAAMO Cc1ccc(COc2coc(CN3CC[NH+](Cc4ccccc4)CC3)cc2=O)cc1 ZINC000022577698 568770195 /nfs/dbraw/zinc/77/01/95/568770195.db2.gz DHMAIAALBZDQAL-UHFFFAOYSA-N 1 1 404.510 3.845 50 0 HHAAMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000056453866 568807045 /nfs/dbraw/zinc/80/70/45/568807045.db2.gz INVDTRQCLLYDNK-HXUWFJFHSA-N 1 1 401.457 3.752 50 0 HHAAMO Cc1ccc(Oc2ccc(NC(=O)CN3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000025606550 568823873 /nfs/dbraw/zinc/82/38/73/568823873.db2.gz KCMSHIBUXDCXDK-QHCPKHFHSA-N 1 1 409.530 3.522 50 0 HHAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057389723 568831073 /nfs/dbraw/zinc/83/10/73/568831073.db2.gz GVTCJQIUCKSRAQ-KNQAVFIVSA-N 1 1 423.513 3.572 50 0 HHAAMO CCNC(=O)NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057389723 568831076 /nfs/dbraw/zinc/83/10/76/568831076.db2.gz GVTCJQIUCKSRAQ-KNQAVFIVSA-N 1 1 423.513 3.572 50 0 HHAAMO CC[NH2+][C@@H](c1nnnn1C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000005952635 568832010 /nfs/dbraw/zinc/83/20/10/568832010.db2.gz KDYNGPLNPMGXQI-JOCHJYFZSA-N 1 1 413.481 3.738 50 0 HHAAMO CCc1ccc([C@H]2NC(=O)N=C(C[N@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415149 568833821 /nfs/dbraw/zinc/83/38/21/568833821.db2.gz DZWDAOIHVIIFLB-JOCHJYFZSA-N 1 1 407.514 3.552 50 0 HHAAMO CCc1ccc([C@H]2NC(=O)N=C(C[N@@H+](CC)Cc3ccccc3)C2C(=O)OC)cc1 ZINC000057415149 568833823 /nfs/dbraw/zinc/83/38/23/568833823.db2.gz DZWDAOIHVIIFLB-JOCHJYFZSA-N 1 1 407.514 3.552 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415598 568833982 /nfs/dbraw/zinc/83/39/82/568833982.db2.gz PKNGLIIRYVTMQO-NRFANRHFSA-N 1 1 411.477 3.519 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415598 568833983 /nfs/dbraw/zinc/83/39/83/568833983.db2.gz PKNGLIIRYVTMQO-NRFANRHFSA-N 1 1 411.477 3.519 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057442714 568837025 /nfs/dbraw/zinc/83/70/25/568837025.db2.gz ZFVPTKGBNHXOJS-CQSZACIVSA-N 1 1 405.420 3.901 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057442714 568837026 /nfs/dbraw/zinc/83/70/26/568837026.db2.gz ZFVPTKGBNHXOJS-CQSZACIVSA-N 1 1 405.420 3.901 50 0 HHAAMO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058011042 568875966 /nfs/dbraw/zinc/87/59/66/568875966.db2.gz INENECQXBFFEDY-FPOVZHCZSA-N 1 1 413.587 3.673 50 0 HHAAMO CCCCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004062788 568881607 /nfs/dbraw/zinc/88/16/07/568881607.db2.gz BIROQCBOOCIHGW-YGOYIFOWSA-N 1 1 416.562 3.780 50 0 biogenic HHAAMO CCCCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000004062788 568881608 /nfs/dbraw/zinc/88/16/08/568881608.db2.gz BIROQCBOOCIHGW-YGOYIFOWSA-N 1 1 416.562 3.780 50 0 biogenic HHAAMO COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(OC)c1OC ZINC000012785256 568959708 /nfs/dbraw/zinc/95/97/08/568959708.db2.gz FYPGUBFFUYIJFV-SFHVURJKSA-N 1 1 418.921 3.933 50 0 HHAAMO Cc1cc(-c2csc(N3CC[NH+](C)CC3)n2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000008133129 568976256 /nfs/dbraw/zinc/97/62/56/568976256.db2.gz BRNWOQHKHYJUIP-UHFFFAOYSA-N 1 1 410.543 3.757 50 0 HHAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008307166 568988393 /nfs/dbraw/zinc/98/83/93/568988393.db2.gz GDVNKABAGGTBRN-HNNXBMFYSA-N 1 1 411.571 3.617 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1cccc(Cl)c1 ZINC000008310559 568988742 /nfs/dbraw/zinc/98/87/42/568988742.db2.gz OTGUGOHDPKSHNY-IBGZPJMESA-N 1 1 400.906 3.955 50 0 HHAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)NCc1cccc(Cl)c1 ZINC000008310559 568988743 /nfs/dbraw/zinc/98/87/43/568988743.db2.gz OTGUGOHDPKSHNY-IBGZPJMESA-N 1 1 400.906 3.955 50 0 HHAAMO COc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779233 569001643 /nfs/dbraw/zinc/00/16/43/569001643.db2.gz ZJNRXVOKEHLKRB-UHFFFAOYSA-N 1 1 404.470 3.558 50 0 HHAAMO COc1ccccc1C[N@H+]1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779233 569001644 /nfs/dbraw/zinc/00/16/44/569001644.db2.gz ZJNRXVOKEHLKRB-UHFFFAOYSA-N 1 1 404.470 3.558 50 0 HHAAMO O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012823729 569007506 /nfs/dbraw/zinc/00/75/06/569007506.db2.gz JUWDXVPFXBONNP-KRWDZBQOSA-N 1 1 411.452 3.943 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@H]2CCO)cc1 ZINC000104404689 569008459 /nfs/dbraw/zinc/00/84/59/569008459.db2.gz DYZUQNYFBBZWBS-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)cc1 ZINC000104404689 569008460 /nfs/dbraw/zinc/00/84/60/569008460.db2.gz DYZUQNYFBBZWBS-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@H]2CCO)cc1 ZINC000104404689 569008461 /nfs/dbraw/zinc/00/84/61/569008461.db2.gz DYZUQNYFBBZWBS-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO Cc1cccc(CN2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)n1 ZINC000104448852 569008727 /nfs/dbraw/zinc/00/87/27/569008727.db2.gz JMENGZJEIACJJD-OAQYLSRUSA-N 1 1 408.571 3.582 50 0 HHAAMO Cc1cccc(CN2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)n1 ZINC000104448852 569008728 /nfs/dbraw/zinc/00/87/28/569008728.db2.gz JMENGZJEIACJJD-OAQYLSRUSA-N 1 1 408.571 3.582 50 0 HHAAMO Cc1ccccc1CN1CC[N@H+](C2CCN(c3ccccc3C)CC2)C[C@H]1CCO ZINC000104484492 569008948 /nfs/dbraw/zinc/00/89/48/569008948.db2.gz XKBMIVOEZHVQQV-RUZDIDTESA-N 1 1 407.602 3.841 50 0 HHAAMO Cc1ccccc1C[N@@H+]1CCN(C2CCN(c3ccccc3C)CC2)C[C@H]1CCO ZINC000104484492 569008949 /nfs/dbraw/zinc/00/89/49/569008949.db2.gz XKBMIVOEZHVQQV-RUZDIDTESA-N 1 1 407.602 3.841 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCN(C2CCN(c3ccccc3C)CC2)C[C@H]1CCO ZINC000104484492 569008950 /nfs/dbraw/zinc/00/89/50/569008950.db2.gz XKBMIVOEZHVQQV-RUZDIDTESA-N 1 1 407.602 3.841 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@H]2CCO)cc1 ZINC000104625538 569008984 /nfs/dbraw/zinc/00/89/84/569008984.db2.gz MXOZGQXHQQEDIK-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc4cnccc43)C[C@H]2CCO)cc1 ZINC000104625538 569008985 /nfs/dbraw/zinc/00/89/85/569008985.db2.gz MXOZGQXHQQEDIK-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012865516 569012157 /nfs/dbraw/zinc/01/21/57/569012157.db2.gz LSSHUFRCSOWLIF-AWEZNQCLSA-N 1 1 404.894 3.887 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000012865516 569012158 /nfs/dbraw/zinc/01/21/58/569012158.db2.gz LSSHUFRCSOWLIF-AWEZNQCLSA-N 1 1 404.894 3.887 50 0 HHAAMO Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000012893148 569020258 /nfs/dbraw/zinc/02/02/58/569020258.db2.gz KELFJBGVVYWTGD-UHFFFAOYSA-N 1 1 406.452 3.868 50 0 HHAAMO Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000012893148 569020259 /nfs/dbraw/zinc/02/02/59/569020259.db2.gz KELFJBGVVYWTGD-UHFFFAOYSA-N 1 1 406.452 3.868 50 0 HHAAMO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000012904147 569020986 /nfs/dbraw/zinc/02/09/86/569020986.db2.gz QMVCFBVQGCSILR-HNNXBMFYSA-N 1 1 412.313 3.809 50 0 HHAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC2 ZINC000012904147 569020987 /nfs/dbraw/zinc/02/09/87/569020987.db2.gz QMVCFBVQGCSILR-HNNXBMFYSA-N 1 1 412.313 3.809 50 0 HHAAMO O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000225414072 569039842 /nfs/dbraw/zinc/03/98/42/569039842.db2.gz QZBGWHXOWHIDJF-VXKWHMMOSA-N 1 1 423.582 3.802 50 0 HHAAMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013017883 569050974 /nfs/dbraw/zinc/05/09/74/569050974.db2.gz HYMQEQUNOUIKTM-LJQANCHMSA-N 1 1 408.542 3.775 50 0 HHAAMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000013017883 569050975 /nfs/dbraw/zinc/05/09/75/569050975.db2.gz HYMQEQUNOUIKTM-LJQANCHMSA-N 1 1 408.542 3.775 50 0 HHAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccc(F)c2)cc1 ZINC000053517415 569053373 /nfs/dbraw/zinc/05/33/73/569053373.db2.gz SRSJDDVULRKTLC-QHCPKHFHSA-N 1 1 418.472 3.875 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000240934413 569054648 /nfs/dbraw/zinc/05/46/48/569054648.db2.gz JBYNMQRWNBWKCN-CVEARBPZSA-N 1 1 416.522 3.870 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000240934413 569054649 /nfs/dbraw/zinc/05/46/49/569054649.db2.gz JBYNMQRWNBWKCN-CVEARBPZSA-N 1 1 416.522 3.870 50 0 HHAAMO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000089478754 569061075 /nfs/dbraw/zinc/06/10/75/569061075.db2.gz PVYNDJLJJZVXHU-KRWDZBQOSA-N 1 1 419.525 3.979 50 0 HHAAMO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1OC ZINC000089478754 569061076 /nfs/dbraw/zinc/06/10/76/569061076.db2.gz PVYNDJLJJZVXHU-KRWDZBQOSA-N 1 1 419.525 3.979 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4onc5c4CCCC5)C3)C2)c1 ZINC000426374297 569072565 /nfs/dbraw/zinc/07/25/65/569072565.db2.gz PDODLUYRLKEKRO-XMMPIXPASA-N 1 1 409.530 3.690 50 0 HHAAMO Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000036104611 569092618 /nfs/dbraw/zinc/09/26/18/569092618.db2.gz DHEIQJVSNBDESW-OAQYLSRUSA-N 1 1 409.482 3.897 50 0 HHAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2cccc(F)c2)C[C@H](O)COC(C)C)C1 ZINC000036145803 569098475 /nfs/dbraw/zinc/09/84/75/569098475.db2.gz XNJBVESUFGJTCK-FCHUYYIVSA-N 1 1 414.521 3.915 50 0 HHAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)Cc1ccccc1 ZINC000036158648 569102444 /nfs/dbraw/zinc/10/24/44/569102444.db2.gz ISIPHFQHICBCHV-QGZVFWFLSA-N 1 1 411.571 3.679 50 0 HHAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)Cc1ccccc1 ZINC000036158648 569102446 /nfs/dbraw/zinc/10/24/46/569102446.db2.gz ISIPHFQHICBCHV-QGZVFWFLSA-N 1 1 411.571 3.679 50 0 HHAAMO C[N@H+](CC(=O)NCC(=O)Nc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 ZINC000006788409 569122510 /nfs/dbraw/zinc/12/25/10/569122510.db2.gz WIDYGKFTTAJOLY-UHFFFAOYSA-N 1 1 405.473 3.602 50 0 HHAAMO C[N@@H+](CC(=O)NCC(=O)Nc1ccc(F)cc1)C(c1ccccc1)c1ccccc1 ZINC000006788409 569122512 /nfs/dbraw/zinc/12/25/12/569122512.db2.gz WIDYGKFTTAJOLY-UHFFFAOYSA-N 1 1 405.473 3.602 50 0 HHAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036307453 569129538 /nfs/dbraw/zinc/12/95/38/569129538.db2.gz NLVJXOUCAHRTIP-QGZVFWFLSA-N 1 1 413.493 3.848 50 0 HHAAMO CC[N@@H+](CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)Cc1ccccc1 ZINC000006805917 569131563 /nfs/dbraw/zinc/13/15/63/569131563.db2.gz UILSBXXCQBITSU-UHFFFAOYSA-N 1 1 418.541 3.779 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000036342609 569142167 /nfs/dbraw/zinc/14/21/67/569142167.db2.gz CZBJYTCKRARLBW-HSZRJFAPSA-N 1 1 419.525 3.512 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343851 569142374 /nfs/dbraw/zinc/14/23/74/569142374.db2.gz RVBWGBVEPXMRFW-QHCPKHFHSA-N 1 1 424.976 3.882 50 0 HHAAMO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000036390480 569165632 /nfs/dbraw/zinc/16/56/32/569165632.db2.gz BXRYPLBFKUNBSK-DVECYGJZSA-N 1 1 407.558 3.802 50 0 HHAAMO CCN1CC[NH+](CCCNc2ccc(-c3nc(-c4ccc(C)cc4)no3)cn2)CC1 ZINC000065097819 569176642 /nfs/dbraw/zinc/17/66/42/569176642.db2.gz XDCLDKBBZHYWQG-UHFFFAOYSA-N 1 1 406.534 3.547 50 0 HHAAMO C[N@@H+](CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1)C1CCCCC1 ZINC000065171693 569190310 /nfs/dbraw/zinc/19/03/10/569190310.db2.gz UBTGKQVNJSZGEP-UHFFFAOYSA-N 1 1 407.562 3.738 50 0 HHAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccc(C)cc4)CC3)n2)cc1 ZINC000065184242 569191430 /nfs/dbraw/zinc/19/14/30/569191430.db2.gz SZVOWNRJTLERLP-UHFFFAOYSA-N 1 1 420.513 3.549 50 0 HHAAMO O=C(c1ccc(F)c(Cl)c1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200158 569193628 /nfs/dbraw/zinc/19/36/28/569193628.db2.gz NUZJGIANGISAHX-UHFFFAOYSA-N 1 1 422.957 3.884 50 0 HHAAMO Cn1cc(C[NH+]2CCN(C(=O)CSCc3ccc(F)cc3)CC2)c2ccccc21 ZINC000065330100 569225010 /nfs/dbraw/zinc/22/50/10/569225010.db2.gz AMELMCCPRLZLKY-UHFFFAOYSA-N 1 1 411.546 3.895 50 0 HHAAMO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCN3C(C)=O)o2)cc1 ZINC000089954825 569269929 /nfs/dbraw/zinc/26/99/29/569269929.db2.gz QLZSJWNOJVEJFI-RTWAWAEBSA-N 1 1 412.534 3.891 50 0 HHAAMO CC(=O)Nc1ccc2c(CN3CCC[N@@H+](Cc4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000055121802 569389978 /nfs/dbraw/zinc/38/99/78/569389978.db2.gz GPFZLVZUILJPSW-UHFFFAOYSA-N 1 1 419.525 3.768 50 0 HHAAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000013072109 569408536 /nfs/dbraw/zinc/40/85/36/569408536.db2.gz BVCNTBDPLDKOBO-UHFFFAOYSA-N 1 1 403.408 3.665 50 0 HHAAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000013072109 569408538 /nfs/dbraw/zinc/40/85/38/569408538.db2.gz BVCNTBDPLDKOBO-UHFFFAOYSA-N 1 1 403.408 3.665 50 0 HHAAMO C[C@@H](c1ccc(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cc1)[NH+]1CCOCC1 ZINC000079095926 569427208 /nfs/dbraw/zinc/42/72/08/569427208.db2.gz IJVNIYYPSMEIAS-KRWDZBQOSA-N 1 1 417.550 3.856 50 0 HHAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000040112318 571170457 /nfs/dbraw/zinc/17/04/57/571170457.db2.gz NIFLSDDZLPLGGK-GOSISDBHSA-N 1 1 403.526 3.619 50 0 HHAAMO CC(C)N(C[C@H]1CCC[N@H+](Cn2c3ccccc3oc2=O)C1)C(=O)OC(C)(C)C ZINC000040155459 571202612 /nfs/dbraw/zinc/20/26/12/571202612.db2.gz LIFLYICVTULZDN-KRWDZBQOSA-N 1 1 403.523 3.910 50 0 HHAAMO CC(C)N(C[C@H]1CCC[N@@H+](Cn2c3ccccc3oc2=O)C1)C(=O)OC(C)(C)C ZINC000040155459 571202616 /nfs/dbraw/zinc/20/26/16/571202616.db2.gz LIFLYICVTULZDN-KRWDZBQOSA-N 1 1 403.523 3.910 50 0 HHAAMO C[NH+]1CCN(CCc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000040157063 571203617 /nfs/dbraw/zinc/20/36/17/571203617.db2.gz JGLQIWSUXGOCAE-UHFFFAOYSA-N 1 1 406.357 3.965 50 0 HHAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)C1 ZINC000040157634 571204129 /nfs/dbraw/zinc/20/41/29/571204129.db2.gz 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FSKALOZIKCQGIE-AWEZNQCLSA-N 1 1 416.319 3.645 50 0 HHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000032860142 526217110 /nfs/dbraw/zinc/21/71/10/526217110.db2.gz FSKALOZIKCQGIE-AWEZNQCLSA-N 1 1 416.319 3.645 50 0 HHAAMO O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000044838435 526589203 /nfs/dbraw/zinc/58/92/03/526589203.db2.gz DTWXYIFQAFKJQF-UHFFFAOYSA-N 1 1 417.351 3.930 50 0 HHAAMO Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC000032895288 526677863 /nfs/dbraw/zinc/67/78/63/526677863.db2.gz LTPBRFHFMIKMFQ-QGZVFWFLSA-N 1 1 402.454 3.796 50 0 HHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1cc(Cl)ccc1Cl ZINC000044900640 527002466 /nfs/dbraw/zinc/00/24/66/527002466.db2.gz LIEQPEAGOAATAE-UHFFFAOYSA-N 1 1 411.285 3.950 50 0 HHAAMO c1ccc(Cc2noc(C[NH+]3CCC4(C[C@@H]4c4nnc5n4CCCCC5)CC3)n2)cc1 ZINC000071890612 557318138 /nfs/dbraw/zinc/31/81/38/557318138.db2.gz GLBDPEGAFGDNHU-LJQANCHMSA-N 1 1 418.545 3.748 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+]([C@@H](C)c4ccccc4)CC3)n(C)n2)cc1 ZINC000034903076 557481647 /nfs/dbraw/zinc/48/16/47/557481647.db2.gz AIYXEYVBLXANQO-SFHVURJKSA-N 1 1 404.514 3.615 50 0 HHAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2F)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697099 557783778 /nfs/dbraw/zinc/78/37/78/557783778.db2.gz FIAJCFZRTLBFEM-DEOSSOPVSA-N 1 1 421.516 3.933 50 0 HHAAMO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)c(Cl)c1OC ZINC000011818763 558282088 /nfs/dbraw/zinc/28/20/88/558282088.db2.gz PYTQMFQQHOHPOF-UHFFFAOYSA-N 1 1 418.925 3.739 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000011838340 558285338 /nfs/dbraw/zinc/28/53/38/558285338.db2.gz RBYWWTQSWFIVHG-HSZRJFAPSA-N 1 1 401.503 3.823 50 0 HHAAMO CC(C)CC(=O)C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011844342 558289076 /nfs/dbraw/zinc/28/90/76/558289076.db2.gz FTAJCJGSNVPNAZ-OAQYLSRUSA-N 1 1 418.553 3.661 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000019877469 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QWCRRBFJDMFHTA-OAQYLSRUSA-N 1 1 412.578 3.539 50 0 HHAAMO O=C1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1cccnc1 ZINC000012159106 558341370 /nfs/dbraw/zinc/34/13/70/558341370.db2.gz IANPBBQXRLKIEZ-UHFFFAOYSA-N 1 1 401.510 3.895 50 0 HHAAMO COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012195313 558349050 /nfs/dbraw/zinc/34/90/50/558349050.db2.gz UALKPXRSJWMGOV-NRFANRHFSA-N 1 1 422.635 3.686 50 0 HHAAMO CCOc1ccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022928337 558363881 /nfs/dbraw/zinc/36/38/81/558363881.db2.gz DOMCOOGTMDHXLE-PGRDOPGGSA-N 1 1 412.603 3.749 50 0 HHAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012298881 558369060 /nfs/dbraw/zinc/36/90/60/558369060.db2.gz HHSMNIATYWDCAV-MRXNPFEDSA-N 1 1 424.932 3.936 50 0 HHAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012299791 558369740 /nfs/dbraw/zinc/36/97/40/558369740.db2.gz JKIOTOIFDNLZKT-QGZVFWFLSA-N 1 1 400.954 3.616 50 0 HHAAMO CCn1ccnc1C[N@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012299791 558369742 /nfs/dbraw/zinc/36/97/42/558369742.db2.gz JKIOTOIFDNLZKT-QGZVFWFLSA-N 1 1 400.954 3.616 50 0 HHAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CCc3ccccn3)n2)cc1 ZINC000012308614 558377022 /nfs/dbraw/zinc/37/70/22/558377022.db2.gz SEXCPDLIPHGOMM-FQEVSTJZSA-N 1 1 406.486 3.906 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1C ZINC000012315946 558379302 /nfs/dbraw/zinc/37/93/02/558379302.db2.gz JKUZNKPZYCBMNR-FQEVSTJZSA-N 1 1 411.546 3.587 50 0 HHAAMO C[NH+](C)[C@@H](CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O)c1ccco1 ZINC000020663866 558398105 /nfs/dbraw/zinc/39/81/05/558398105.db2.gz FPSWWOAWZYBBOX-MEPUESOJSA-N 1 1 401.466 3.700 50 0 HHAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000012429893 558404740 /nfs/dbraw/zinc/40/47/40/558404740.db2.gz RIYDVGMUGZCAFR-HXUWFJFHSA-N 1 1 409.555 3.566 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCOc3c(cccc3OC)C2)c(OC)c1 ZINC000012431269 558405614 /nfs/dbraw/zinc/40/56/14/558405614.db2.gz ZTMFLPVXGSTXOH-UHFFFAOYSA-N 1 1 409.486 3.887 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCOc3c(cccc3OC)C2)c(OC)c1 ZINC000012431269 558405618 /nfs/dbraw/zinc/40/56/18/558405618.db2.gz ZTMFLPVXGSTXOH-UHFFFAOYSA-N 1 1 409.486 3.887 50 0 HHAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012435045 558408824 /nfs/dbraw/zinc/40/88/24/558408824.db2.gz OKPPWGGAVDFNJZ-IBGZPJMESA-N 1 1 403.486 3.823 50 0 HHAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)c1 ZINC000012438829 558410405 /nfs/dbraw/zinc/41/04/05/558410405.db2.gz SYOTVEJLSOREMZ-QFIPXVFZSA-N 1 1 405.922 3.880 50 0 HHAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)c1 ZINC000012439063 558410561 /nfs/dbraw/zinc/41/05/61/558410561.db2.gz LUABUYQQMQJSSN-JUGMSXHOSA-N 1 1 412.505 3.998 50 0 HHAAMO O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012703558 558448630 /nfs/dbraw/zinc/44/86/30/558448630.db2.gz FVGSSLVJVXIXMA-RUZDIDTESA-N 1 1 406.526 3.976 50 0 HHAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000012713438 558453803 /nfs/dbraw/zinc/45/38/03/558453803.db2.gz FFEVATIZFAXHBO-DEOSSOPVSA-N 1 1 411.498 3.812 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012744580 558457624 /nfs/dbraw/zinc/45/76/24/558457624.db2.gz OCIJXYCPLQMMRO-JOCHJYFZSA-N 1 1 406.505 3.807 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012744580 558457626 /nfs/dbraw/zinc/45/76/26/558457626.db2.gz OCIJXYCPLQMMRO-JOCHJYFZSA-N 1 1 406.505 3.807 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000022011668 558457851 /nfs/dbraw/zinc/45/78/51/558457851.db2.gz CYYLYJKIKTYRDN-JOCHJYFZSA-N 1 1 409.530 3.521 50 0 HHAAMO CC(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nsnc43)CC2)cc1 ZINC000022752370 558507686 /nfs/dbraw/zinc/50/76/86/558507686.db2.gz AZRKMZDFVYTZPS-UHFFFAOYSA-N 1 1 409.559 3.571 50 0 HHAAMO C[NH+]1CCN([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)c2cccs2)CC1 ZINC000022789487 558511931 /nfs/dbraw/zinc/51/19/31/558511931.db2.gz VSGMIHUOQYTRNJ-QFIPXVFZSA-N 1 1 419.594 3.985 50 0 HHAAMO COc1ccc(OCC[NH+]2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022848467 558516519 /nfs/dbraw/zinc/51/65/19/558516519.db2.gz UQMMWZJCLLTPHK-UHFFFAOYSA-N 1 1 411.477 3.686 50 0 HHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1CC1CCCCC1 ZINC000022914165 558520850 /nfs/dbraw/zinc/52/08/50/558520850.db2.gz JDPCVOADEQOCBH-JOCHJYFZSA-N 1 1 400.542 3.665 50 0 HHAAMO CC(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)c1 ZINC000022932833 558525155 /nfs/dbraw/zinc/52/51/55/558525155.db2.gz LJZXRXDDUIMVJP-UHFFFAOYSA-N 1 1 407.539 3.860 50 0 HHAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938421 558527498 /nfs/dbraw/zinc/52/74/98/558527498.db2.gz RSMWBEFKQGBHGY-LJQANCHMSA-N 1 1 409.530 3.978 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)c1 ZINC000013636618 558554382 /nfs/dbraw/zinc/55/43/82/558554382.db2.gz ILOTUFMCVUSVBQ-LJQANCHMSA-N 1 1 408.542 3.939 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)c(C)c1C ZINC000023374972 558554561 /nfs/dbraw/zinc/55/45/61/558554561.db2.gz LOUCSGNTBIXQCF-FQEVSTJZSA-N 1 1 404.501 3.659 50 0 HHAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013636655 558554738 /nfs/dbraw/zinc/55/47/38/558554738.db2.gz PONQJXXFDOLPEL-GOSISDBHSA-N 1 1 412.505 3.906 50 0 HHAAMO O=C(Cc1csc(-c2ccc(F)cc2)n1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023995664 558584290 /nfs/dbraw/zinc/58/42/90/558584290.db2.gz MVZGVWFOZUKXGP-UHFFFAOYSA-N 1 1 417.550 3.643 50 0 HHAAMO Cc1[nH+]ccn1Cc1cccc(CNS(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000024687951 558607676 /nfs/dbraw/zinc/60/76/76/558607676.db2.gz KQMPAWORYUUOCA-UHFFFAOYSA-N 1 1 406.511 3.575 50 0 HHAAMO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024758268 558610796 /nfs/dbraw/zinc/61/07/96/558610796.db2.gz NEJWHZOAVVFDBU-LJQANCHMSA-N 1 1 405.473 3.865 50 0 HHAAMO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024758268 558610798 /nfs/dbraw/zinc/61/07/98/558610798.db2.gz NEJWHZOAVVFDBU-LJQANCHMSA-N 1 1 405.473 3.865 50 0 HHAAMO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000025067595 558630389 /nfs/dbraw/zinc/63/03/89/558630389.db2.gz OQBALKUILJPXBY-BBWFWOEESA-N 1 1 400.494 3.935 50 0 HHAAMO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000025067595 558630390 /nfs/dbraw/zinc/63/03/90/558630390.db2.gz OQBALKUILJPXBY-BBWFWOEESA-N 1 1 400.494 3.935 50 0 HHAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000026134716 558656321 /nfs/dbraw/zinc/65/63/21/558656321.db2.gz SCLMEMAFAJZUQU-KRWDZBQOSA-N 1 1 410.301 3.696 50 0 HHAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000014964787 558685417 /nfs/dbraw/zinc/68/54/17/558685417.db2.gz DSODCIYDOYUNOC-UHFFFAOYSA-N 1 1 419.953 3.779 50 0 HHAAMO Cc1ccsc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014998160 558696750 /nfs/dbraw/zinc/69/67/50/558696750.db2.gz MKKXQXYHBZGIAG-GOSISDBHSA-N 1 1 423.586 3.516 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 ZINC000028403210 558700040 /nfs/dbraw/zinc/70/00/40/558700040.db2.gz NRCVEBUJQMVCSF-LJQANCHMSA-N 1 1 422.013 3.872 50 0 HHAAMO CC[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(C)cc1 ZINC000015044229 558704184 /nfs/dbraw/zinc/70/41/84/558704184.db2.gz SUEXULUHWAHXBM-HXUWFJFHSA-N 1 1 409.530 3.619 50 0 HHAAMO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1cc2ccccc2o1 ZINC000015044832 558704343 /nfs/dbraw/zinc/70/43/43/558704343.db2.gz KVWQPTOYPQPBJW-MRXNPFEDSA-N 1 1 421.497 3.666 50 0 HHAAMO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000028888456 558706643 /nfs/dbraw/zinc/70/66/43/558706643.db2.gz HHJZTMZIWVBFAZ-SFHVURJKSA-N 1 1 420.582 3.954 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)CC1 ZINC000015064594 558707625 /nfs/dbraw/zinc/70/76/25/558707625.db2.gz QNIAAFPKSWOAQZ-GOSISDBHSA-N 1 1 419.541 3.555 50 0 HHAAMO C[NH+]1CCC(N2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC000015065758 558708549 /nfs/dbraw/zinc/70/85/49/558708549.db2.gz KZQCGFCGIJYVTE-UHFFFAOYSA-N 1 1 419.997 3.950 50 0 HHAAMO COc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000015066055 558708867 /nfs/dbraw/zinc/70/88/67/558708867.db2.gz QSXOOASHOFOBKO-HXUWFJFHSA-N 1 1 422.504 3.757 50 0 HHAAMO COc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000015066055 558708870 /nfs/dbraw/zinc/70/88/70/558708870.db2.gz QSXOOASHOFOBKO-HXUWFJFHSA-N 1 1 422.504 3.757 50 0 HHAAMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000029928878 558724057 /nfs/dbraw/zinc/72/40/57/558724057.db2.gz FZJBMKHVVIKVQV-CYBMUJFWSA-N 1 1 400.350 3.949 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1C(=O)c1cccs1 ZINC000029933793 558724375 /nfs/dbraw/zinc/72/43/75/558724375.db2.gz CZVOENCYSSKKJS-UHFFFAOYSA-N 1 1 420.534 3.741 50 0 HHAAMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955198 558746913 /nfs/dbraw/zinc/74/69/13/558746913.db2.gz LHKQCQWBEAZKDC-UHFFFAOYSA-N 1 1 410.905 3.918 50 0 HHAAMO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955366 558747287 /nfs/dbraw/zinc/74/72/87/558747287.db2.gz VPYRBLGKTIGQAA-UHFFFAOYSA-N 1 1 419.485 3.546 50 0 HHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000034872095 558786375 /nfs/dbraw/zinc/78/63/75/558786375.db2.gz SFZKRBDTGDINFB-PXNSSMCTSA-N 1 1 402.922 3.568 50 0 HHAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016345319 558787124 /nfs/dbraw/zinc/78/71/24/558787124.db2.gz ICKFXHMLUVBSGS-HNNXBMFYSA-N 1 1 407.436 3.795 50 0 HHAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000016345319 558787127 /nfs/dbraw/zinc/78/71/27/558787127.db2.gz ICKFXHMLUVBSGS-HNNXBMFYSA-N 1 1 407.436 3.795 50 0 HHAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000016422477 558790721 /nfs/dbraw/zinc/79/07/21/558790721.db2.gz VLMRIGTZVYZNKL-UHFFFAOYSA-N 1 1 420.479 3.580 50 0 HHAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000016422477 558790724 /nfs/dbraw/zinc/79/07/24/558790724.db2.gz VLMRIGTZVYZNKL-UHFFFAOYSA-N 1 1 420.479 3.580 50 0 HHAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145855 558797965 /nfs/dbraw/zinc/79/79/65/558797965.db2.gz VAZRBLAKDVLURD-VXKWHMMOSA-N 1 1 400.494 3.607 50 0 HHAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)C1 ZINC000032984082 558805037 /nfs/dbraw/zinc/80/50/37/558805037.db2.gz QGYCCOUWAUMZJE-FSTGKYBXSA-N 1 1 419.525 3.910 50 0 HHAAMO Cc1cc(C)cc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010831 558811474 /nfs/dbraw/zinc/81/14/74/558811474.db2.gz RAYIMIRLXWEALY-UHFFFAOYSA-N 1 1 413.529 3.928 50 0 HHAAMO CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000039479095 558821748 /nfs/dbraw/zinc/82/17/48/558821748.db2.gz CMSJZCMXSZDGJF-HXUWFJFHSA-N 1 1 403.526 3.697 50 0 HHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(Br)c3c(c2)OCCO3)c1 ZINC000060318633 558834363 /nfs/dbraw/zinc/83/43/63/558834363.db2.gz LBEZIHPKWVRTFX-UHFFFAOYSA-N 1 1 419.319 3.602 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1)C(=O)OC(C)(C)C ZINC000060339748 558852617 /nfs/dbraw/zinc/85/26/17/558852617.db2.gz ZWEFNBBGPWIMAW-KRWDZBQOSA-N 1 1 406.523 3.763 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1Cl ZINC000023016811 558863118 /nfs/dbraw/zinc/86/31/18/558863118.db2.gz GBQMDPAKDMZLPA-QAPCUYQASA-N 1 1 419.978 3.673 50 0 HHAAMO Cc1ccc2nc(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)[nH]c2c1 ZINC000033070722 558866212 /nfs/dbraw/zinc/86/62/12/558866212.db2.gz INWPMDRVHHNHIY-UHFFFAOYSA-N 1 1 409.578 3.565 50 0 HHAAMO O=C(c1c(F)cccc1F)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055035786 558869941 /nfs/dbraw/zinc/86/99/41/558869941.db2.gz GRZCGSZVMIXVJP-SFHVURJKSA-N 1 1 403.448 3.531 50 0 HHAAMO C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019360044 558876143 /nfs/dbraw/zinc/87/61/43/558876143.db2.gz DKNZEPCGVGRZTN-LJQANCHMSA-N 1 1 400.588 3.952 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055414783 558881029 /nfs/dbraw/zinc/88/10/29/558881029.db2.gz MXBMINVHGARNFP-SANMLTNESA-N 1 1 419.569 3.692 50 0 HHAAMO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019375397 558881501 /nfs/dbraw/zinc/88/15/01/558881501.db2.gz ZOWNJHJCACTBET-UHFFFAOYSA-N 1 1 400.478 3.904 50 0 HHAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1)c1ccccc1 ZINC000058024512 558896275 /nfs/dbraw/zinc/89/62/75/558896275.db2.gz FIYZNZSOXUIZOA-JOCHJYFZSA-N 1 1 410.514 3.819 50 0 HHAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1)c1ccccc1 ZINC000058024512 558896276 /nfs/dbraw/zinc/89/62/76/558896276.db2.gz FIYZNZSOXUIZOA-JOCHJYFZSA-N 1 1 410.514 3.819 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000058088258 558898491 /nfs/dbraw/zinc/89/84/91/558898491.db2.gz JVOMTSLUHNSRPX-UHFFFAOYSA-N 1 1 418.585 3.945 50 0 HHAAMO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058406736 558924701 /nfs/dbraw/zinc/92/47/01/558924701.db2.gz QBRFUQOQKDMYFZ-PMACEKPBSA-N 1 1 412.603 3.786 50 0 HHAAMO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000058964669 558931139 /nfs/dbraw/zinc/93/11/39/558931139.db2.gz PQKWEPSWBMLCKN-SFHVURJKSA-N 1 1 414.571 3.642 50 0 HHAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000059922944 558939958 /nfs/dbraw/zinc/93/99/58/558939958.db2.gz RWRJJAWNYXBUIF-CQSZACIVSA-N 1 1 404.407 3.618 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000019595413 558946148 /nfs/dbraw/zinc/94/61/48/558946148.db2.gz ZHIVGRALHDLEIU-OAQYLSRUSA-N 1 1 410.949 3.595 50 0 HHAAMO Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(C(F)(F)F)c2)[nH+]c(C)n1 ZINC000065362472 558973274 /nfs/dbraw/zinc/97/32/74/558973274.db2.gz OHHWDEPTYJVCHX-UHFFFAOYSA-N 1 1 419.411 3.532 50 0 HHAAMO CC(C)Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072404665 558979492 /nfs/dbraw/zinc/97/94/92/558979492.db2.gz ARZCDYTYLWTYDO-UHFFFAOYSA-N 1 1 403.526 3.616 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[N@@H+](C)[C@H](CCO)C2)cc1 ZINC000072462915 558983164 /nfs/dbraw/zinc/98/31/64/558983164.db2.gz BRYLWTLKSMIBHH-JOCHJYFZSA-N 1 1 405.542 3.717 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCN(C)[C@H](CCO)C2)cc1 ZINC000072462915 558983166 /nfs/dbraw/zinc/98/31/66/558983166.db2.gz BRYLWTLKSMIBHH-JOCHJYFZSA-N 1 1 405.542 3.717 50 0 HHAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCN(C)[C@H](CCO)C2)cc1 ZINC000072462915 558983168 /nfs/dbraw/zinc/98/31/68/558983168.db2.gz BRYLWTLKSMIBHH-JOCHJYFZSA-N 1 1 405.542 3.717 50 0 HHAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)[nH+]1 ZINC000067603412 558988004 /nfs/dbraw/zinc/98/80/04/558988004.db2.gz IATPQLVSESONJR-UHFFFAOYSA-N 1 1 414.941 3.701 50 0 HHAAMO CC(C)C[N@H+](C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000067805409 558993146 /nfs/dbraw/zinc/99/31/46/558993146.db2.gz JKOSYQKEXRPDDO-UHFFFAOYSA-N 1 1 411.594 3.513 50 0 HHAAMO CC(C)C[N@@H+](C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000067805409 558993147 /nfs/dbraw/zinc/99/31/47/558993147.db2.gz JKOSYQKEXRPDDO-UHFFFAOYSA-N 1 1 411.594 3.513 50 0 HHAAMO CCN(CC(C)(C)C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115628 559039108 /nfs/dbraw/zinc/03/91/08/559039108.db2.gz LXBOAVSCJSVNJO-OAQYLSRUSA-N 1 1 400.611 3.653 50 0 HHAAMO CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000033318263 559055848 /nfs/dbraw/zinc/05/58/48/559055848.db2.gz WZHGYYDAYCAYIF-UHFFFAOYSA-N 1 1 423.561 3.527 50 0 HHAAMO Cc1cc(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)on1 ZINC000095504168 559082930 /nfs/dbraw/zinc/08/29/30/559082930.db2.gz USZLLKRNJAXQCU-FQEVSTJZSA-N 1 1 402.583 3.566 50 0 HHAAMO Cc1cc(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)on1 ZINC000095504168 559082931 /nfs/dbraw/zinc/08/29/31/559082931.db2.gz USZLLKRNJAXQCU-FQEVSTJZSA-N 1 1 402.583 3.566 50 0 HHAAMO c1ccc(CCC[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nnc(-c4cccnc4)o2)C3)cc1 ZINC000095520022 559085107 /nfs/dbraw/zinc/08/51/07/559085107.db2.gz MZTZIQPXKMTJTI-RBBKRZOGSA-N 1 1 403.530 3.661 50 0 HHAAMO Cc1occc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095531826 559087009 /nfs/dbraw/zinc/08/70/09/559087009.db2.gz AZLUDENEZUNBQR-IBGZPJMESA-N 1 1 401.526 3.643 50 0 HHAAMO C[N@@H+]1C[C@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000248122999 559264750 /nfs/dbraw/zinc/26/47/50/559264750.db2.gz KREXOOXCKFMSFM-VEYWIMSWSA-N 1 1 416.502 3.886 50 0 HHAAMO C[N@H+]1C[C@H](c2cccs2)[C@@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000248122999 559264751 /nfs/dbraw/zinc/26/47/51/559264751.db2.gz KREXOOXCKFMSFM-VEYWIMSWSA-N 1 1 416.502 3.886 50 0 HHAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000002099448 560186492 /nfs/dbraw/zinc/18/64/92/560186492.db2.gz ZDNXZGYMXMNADE-TUACAJSNSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000002099448 560186493 /nfs/dbraw/zinc/18/64/93/560186493.db2.gz ZDNXZGYMXMNADE-TUACAJSNSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000062580216 560631372 /nfs/dbraw/zinc/63/13/72/560631372.db2.gz LXKCQKVOSDGJJO-NRFANRHFSA-N 1 1 420.431 3.828 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982975 560859055 /nfs/dbraw/zinc/85/90/55/560859055.db2.gz RWTSNIIHWPDSRX-NHCUHLMSSA-N 1 1 414.521 3.854 50 0 HHAAMO COc1ccc([C@H]2[C@@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@H+]2C)cc1 ZINC000106914055 560894527 /nfs/dbraw/zinc/89/45/27/560894527.db2.gz UYCUZMNLVLTQNF-NQIIRXRSSA-N 1 1 420.550 3.926 50 0 HHAAMO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106924949 560894539 /nfs/dbraw/zinc/89/45/39/560894539.db2.gz XSLRBRZZVPLYQG-KNQAVFIVSA-N 1 1 423.561 3.608 50 0 HHAAMO O=C(CCOc1ccccc1-c1ccccc1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000048264362 568433836 /nfs/dbraw/zinc/43/38/36/568433836.db2.gz ZDYTVWKJCFHVFZ-QFIPXVFZSA-N 1 1 408.542 3.836 50 0 HHAAMO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)c2)n1 ZINC000048300279 568437297 /nfs/dbraw/zinc/43/72/97/568437297.db2.gz WWUPCYGVTGSGPZ-OAQYLSRUSA-N 1 1 402.498 3.602 50 0 HHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1 ZINC000048313448 568439176 /nfs/dbraw/zinc/43/91/76/568439176.db2.gz MLSBHOKFBBEYQY-HNNXBMFYSA-N 1 1 422.856 3.662 50 0 HHAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2Br)C[C@H](C)O1 ZINC000048340208 568440281 /nfs/dbraw/zinc/44/02/81/568440281.db2.gz PNJWOHIOIRZXBS-HOTGVXAUSA-N 1 1 417.347 3.988 50 0 HHAAMO COc1cc2nc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3)[nH]c(=O)c2cc1OC ZINC000049609464 568452559 /nfs/dbraw/zinc/45/25/59/568452559.db2.gz HBXUJHHTQGFELZ-NSHDSACASA-N 1 1 407.392 3.810 50 0 HHAAMO Cc1cc(C)c2c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C ZINC000020412490 568605472 /nfs/dbraw/zinc/60/54/72/568605472.db2.gz RURGSMZFQYJSPI-UHFFFAOYSA-N 1 1 420.509 3.765 50 0 HHAAMO CC[N@@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC)C1CC1 ZINC000095432819 568609258 /nfs/dbraw/zinc/60/92/58/568609258.db2.gz DYHBLLSLLGBYCP-OAQYLSRUSA-N 1 1 421.541 3.918 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)C1 ZINC000020489798 568614285 /nfs/dbraw/zinc/61/42/85/568614285.db2.gz YJDPFOYJPZAHKU-BGYRXZFFSA-N 1 1 422.573 3.519 50 0 HHAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(C(=O)OC)c(F)c2)CC1)CC1CC1 ZINC000095458257 568618988 /nfs/dbraw/zinc/61/89/88/568618988.db2.gz LUPLDBUYUJUFDD-UHFFFAOYSA-N 1 1 405.514 3.978 50 0 HHAAMO C[C@]1(COC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCC[N@H+]1Cc1ccccc1 ZINC000095469298 568625475 /nfs/dbraw/zinc/62/54/75/568625475.db2.gz IMNOGQOFJGFLCI-HSZRJFAPSA-N 1 1 415.555 3.833 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 ZINC000020939762 568652609 /nfs/dbraw/zinc/65/26/09/568652609.db2.gz LSRGLIWBWLSEKM-IBGZPJMESA-N 1 1 414.513 3.713 50 0 HHAAMO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)n2cccc2)cc1 ZINC000020997556 568657237 /nfs/dbraw/zinc/65/72/37/568657237.db2.gz JJJHXICWMNUHEC-DEOSSOPVSA-N 1 1 403.526 3.821 50 0 HHAAMO CC[C@H](C)NC(=O)CCc1nc(C2=CC[N@H+](Cc3cccc(Cl)c3)CC2)no1 ZINC000021103354 568666695 /nfs/dbraw/zinc/66/66/95/568666695.db2.gz WLKJHHMTEREKIH-HNNXBMFYSA-N 1 1 402.926 3.860 50 0 HHAAMO CC[C@H](C)NC(=O)CCc1nc(C2=CC[N@@H+](Cc3cccc(Cl)c3)CC2)no1 ZINC000021103354 568666697 /nfs/dbraw/zinc/66/66/97/568666697.db2.gz WLKJHHMTEREKIH-HNNXBMFYSA-N 1 1 402.926 3.860 50 0 HHAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3cccc(SC)c3)s2)CC1 ZINC000021531693 568711360 /nfs/dbraw/zinc/71/13/60/568711360.db2.gz HLEMHTORDQGFQA-UHFFFAOYSA-N 1 1 414.604 3.805 50 0 HHAAMO Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000096324167 568733335 /nfs/dbraw/zinc/73/33/35/568733335.db2.gz KXSDGOWYCKYBAS-UHFFFAOYSA-N 1 1 416.481 3.888 50 0 HHAAMO Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCC[N@H+]2CCc3ccccc3C2)o1 ZINC000096324167 568733337 /nfs/dbraw/zinc/73/33/37/568733337.db2.gz KXSDGOWYCKYBAS-UHFFFAOYSA-N 1 1 416.481 3.888 50 0 HHAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 ZINC000015077061 568749524 /nfs/dbraw/zinc/74/95/24/568749524.db2.gz QGPYDPUQHYABSP-LJQANCHMSA-N 1 1 423.948 3.508 50 0 HHAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 ZINC000015077064 568749677 /nfs/dbraw/zinc/74/96/77/568749677.db2.gz QGPYDPUQHYABSP-IBGZPJMESA-N 1 1 423.948 3.508 50 0 HHAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460542 568768517 /nfs/dbraw/zinc/76/85/17/568768517.db2.gz SIFYLFCERPLKRX-BEFAXECRSA-N 1 1 406.596 3.941 50 0 HHAAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1ccc(F)cc1 ZINC000022577754 568770187 /nfs/dbraw/zinc/77/01/87/568770187.db2.gz ACXOIYRQEPZRST-UHFFFAOYSA-N 1 1 408.473 3.676 50 0 HHAAMO CCOc1ccc2nc(NC(=O)CSc3nnc([C@@H](CC)[NH+](C)C)o3)sc2c1 ZINC000002659074 568798450 /nfs/dbraw/zinc/79/84/50/568798450.db2.gz ZYNZNPBIGJFWEV-CYBMUJFWSA-N 1 1 421.548 3.822 50 0 HHAAMO CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CC[NH+](CC)CC1 ZINC000005979412 568833861 /nfs/dbraw/zinc/83/38/61/568833861.db2.gz MZQGXMUOSYYZOL-UHFFFAOYSA-N 1 1 417.600 3.850 50 0 HHAAMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000057446743 568837134 /nfs/dbraw/zinc/83/71/34/568837134.db2.gz AFDXMZHJKXTGCO-UHFFFAOYSA-N 1 1 419.481 3.738 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478405 568839707 /nfs/dbraw/zinc/83/97/07/568839707.db2.gz TVELQLYLOVJXOR-HSZRJFAPSA-N 1 1 421.541 3.942 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478405 568839708 /nfs/dbraw/zinc/83/97/08/568839708.db2.gz TVELQLYLOVJXOR-HSZRJFAPSA-N 1 1 421.541 3.942 50 0 HHAAMO O=C(/C=C/c1ccccc1Br)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882581 568844353 /nfs/dbraw/zinc/84/43/53/568844353.db2.gz LYIMOACYOAKTKK-MDZDMXLPSA-N 1 1 415.331 3.611 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Br)c(Br)[nH]1 ZINC000004038185 568879845 /nfs/dbraw/zinc/87/98/45/568879845.db2.gz CKODBFUOXJVMPX-SNVBAGLBSA-N 1 1 407.150 3.534 50 0 HHAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012700691 568917161 /nfs/dbraw/zinc/91/71/61/568917161.db2.gz UQYUBPMJNPQWOK-ZIAGYGMSSA-N 1 1 421.526 3.673 50 0 HHAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012700691 568917162 /nfs/dbraw/zinc/91/71/62/568917162.db2.gz UQYUBPMJNPQWOK-ZIAGYGMSSA-N 1 1 421.526 3.673 50 0 HHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nnc(-c4ccsc4)o3)CC2)cc1 ZINC000031225446 568919833 /nfs/dbraw/zinc/91/98/33/568919833.db2.gz SOMQRXNRRFDNQP-UHFFFAOYSA-N 1 1 410.543 3.774 50 0 HHAAMO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1Cl ZINC000012745347 568931285 /nfs/dbraw/zinc/93/12/85/568931285.db2.gz NLWJMZPUKHIWCC-OAHLLOKOSA-N 1 1 415.921 3.574 50 0 HHAAMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000004064048 568937394 /nfs/dbraw/zinc/93/73/94/568937394.db2.gz VGGOQMDLCUWUBS-IGKWTDBASA-N 1 1 408.498 3.722 50 0 biogenic HHAAMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000004064048 568937397 /nfs/dbraw/zinc/93/73/97/568937397.db2.gz VGGOQMDLCUWUBS-IGKWTDBASA-N 1 1 408.498 3.722 50 0 biogenic HHAAMO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)N1CCCCC1 ZINC000004064496 568937624 /nfs/dbraw/zinc/93/76/24/568937624.db2.gz QIDPWIKJFMARTD-OYDLWJJNSA-N 1 1 400.563 3.766 50 0 biogenic HHAAMO CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CC[N@H+](CC)C2 ZINC000004086914 568940885 /nfs/dbraw/zinc/94/08/85/568940885.db2.gz KMPLROLFBZTQAG-UHFFFAOYSA-N 1 1 402.516 3.710 50 0 HHAAMO CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CC[N@@H+](CC)C2 ZINC000004086914 568940886 /nfs/dbraw/zinc/94/08/86/568940886.db2.gz KMPLROLFBZTQAG-UHFFFAOYSA-N 1 1 402.516 3.710 50 0 HHAAMO O=C([C@H]1C[C@@H]1c1ccccc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000084528911 568950324 /nfs/dbraw/zinc/95/03/24/568950324.db2.gz WVCGNJGBLYVSLC-UXHICEINSA-N 1 1 413.359 3.940 50 0 HHAAMO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000012779846 568956880 /nfs/dbraw/zinc/95/68/80/568956880.db2.gz BBOYEWGCOUTUGL-OAHLLOKOSA-N 1 1 407.436 3.623 50 0 HHAAMO C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000012779846 568956881 /nfs/dbraw/zinc/95/68/81/568956881.db2.gz BBOYEWGCOUTUGL-OAHLLOKOSA-N 1 1 407.436 3.623 50 0 HHAAMO Cc1ccc([C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1C ZINC000012810017 568979948 /nfs/dbraw/zinc/97/99/48/568979948.db2.gz BHJRGPNUHUEHPN-VWLOTQADSA-N 1 1 419.500 3.876 50 0 HHAAMO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000035107862 568992059 /nfs/dbraw/zinc/99/20/59/568992059.db2.gz RTSCTICDMHXMOB-WIYYLYMNSA-N 1 1 409.578 3.711 50 0 biogenic HHAAMO COc1ccc(-c2nc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1OC ZINC000012824702 569007850 /nfs/dbraw/zinc/00/78/50/569007850.db2.gz NDJCJBYDOBDXPV-GOSISDBHSA-N 1 1 423.538 3.832 50 0 HHAAMO Cc1cc(C)cc(N2CCC([N@H+]3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)CC2)c1 ZINC000104316039 569008220 /nfs/dbraw/zinc/00/82/20/569008220.db2.gz RBMFTKGRPXPNFH-RUZDIDTESA-N 1 1 422.617 3.544 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104415854 569008625 /nfs/dbraw/zinc/00/86/25/569008625.db2.gz RYBJXWMGSWQGKJ-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104415854 569008626 /nfs/dbraw/zinc/00/86/26/569008626.db2.gz RYBJXWMGSWQGKJ-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104415854 569008627 /nfs/dbraw/zinc/00/86/27/569008627.db2.gz RYBJXWMGSWQGKJ-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1CCO ZINC000104415854 569008628 /nfs/dbraw/zinc/00/86/28/569008628.db2.gz RYBJXWMGSWQGKJ-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972528 569025213 /nfs/dbraw/zinc/02/52/13/569025213.db2.gz YVUFEZLYZUOAFD-GERBCZOESA-N 1 1 405.498 3.582 50 0 HHAAMO COc1cccc(-c2nc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c1OC ZINC000012937562 569027922 /nfs/dbraw/zinc/02/79/22/569027922.db2.gz PBVVBRICUPGODO-QGZVFWFLSA-N 1 1 423.538 3.832 50 0 HHAAMO COc1ccc(CCS(=O)(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1 ZINC000575621386 569039002 /nfs/dbraw/zinc/03/90/02/569039002.db2.gz NXSVDQARSMIMHY-HXUWFJFHSA-N 1 1 418.584 3.675 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000064165701 569045982 /nfs/dbraw/zinc/04/59/82/569045982.db2.gz ZAWMPHYQFCUMKA-JKXTWKSPSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000064165701 569045983 /nfs/dbraw/zinc/04/59/83/569045983.db2.gz ZAWMPHYQFCUMKA-JKXTWKSPSA-N 1 1 411.889 3.619 50 0 HHAAMO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)o1 ZINC000035717762 569053114 /nfs/dbraw/zinc/05/31/14/569053114.db2.gz XOMPDWHXHRKJJF-NRFANRHFSA-N 1 1 409.482 3.897 50 0 HHAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)o1 ZINC000035717762 569053115 /nfs/dbraw/zinc/05/31/15/569053115.db2.gz XOMPDWHXHRKJJF-NRFANRHFSA-N 1 1 409.482 3.897 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)c1 ZINC000036098493 569090917 /nfs/dbraw/zinc/09/09/17/569090917.db2.gz CNFVLIZNGBSRQQ-IBGZPJMESA-N 1 1 401.503 3.602 50 0 HHAAMO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103594 569092208 /nfs/dbraw/zinc/09/22/08/569092208.db2.gz ZEUYRSCNPQOAEF-NRFANRHFSA-N 1 1 411.498 3.877 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103594 569092209 /nfs/dbraw/zinc/09/22/09/569092209.db2.gz ZEUYRSCNPQOAEF-NRFANRHFSA-N 1 1 411.498 3.877 50 0 HHAAMO CC[C@@H](O)C[N@@H+](CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000036154843 569100980 /nfs/dbraw/zinc/10/09/80/569100980.db2.gz KQWBKTUEBNCVFG-MRXNPFEDSA-N 1 1 420.307 3.908 50 0 HHAAMO CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146328 569098654 /nfs/dbraw/zinc/09/86/54/569098654.db2.gz LPXHQSOXPKUHHD-RTWAWAEBSA-N 1 1 420.912 3.872 50 0 HHAAMO CCCC[N@@H+](CCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)Cc1ccco1 ZINC000006724370 569100162 /nfs/dbraw/zinc/10/01/62/569100162.db2.gz OXIUWFXEKKPHSD-UHFFFAOYSA-N 1 1 422.529 3.762 50 0 HHAAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036250191 569119255 /nfs/dbraw/zinc/11/92/55/569119255.db2.gz HQMKGIPXKCEMGF-XMSQKQJNSA-N 1 1 415.553 3.543 50 0 HHAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000036309543 569131222 /nfs/dbraw/zinc/13/12/22/569131222.db2.gz WIRUARKGSPHMEU-WIYYLYMNSA-N 1 1 416.587 3.653 50 0 HHAAMO C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310786 569131950 /nfs/dbraw/zinc/13/19/50/569131950.db2.gz HMXUJINGUBXWQS-SIKLNZKXSA-N 1 1 412.578 3.796 50 0 HHAAMO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310913 569132110 /nfs/dbraw/zinc/13/21/10/569132110.db2.gz CPSCMVNTGSOXLR-HXUWFJFHSA-N 1 1 420.985 3.917 50 0 HHAAMO Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036341898 569142216 /nfs/dbraw/zinc/14/22/16/569142216.db2.gz UMHSNZOPEFTEBA-QHCPKHFHSA-N 1 1 404.489 3.974 50 0 HHAAMO Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036341898 569142217 /nfs/dbraw/zinc/14/22/17/569142217.db2.gz UMHSNZOPEFTEBA-QHCPKHFHSA-N 1 1 404.489 3.974 50 0 HHAAMO CC(C)C[N@@H+]1CCO[C@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)C1 ZINC000036384490 569159059 /nfs/dbraw/zinc/15/90/59/569159059.db2.gz WLJIYGVHGCUBIC-KGLIPLIRSA-N 1 1 407.605 3.558 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)C1 ZINC000036384490 569159060 /nfs/dbraw/zinc/15/90/60/569159060.db2.gz WLJIYGVHGCUBIC-KGLIPLIRSA-N 1 1 407.605 3.558 50 0 HHAAMO COC(=O)c1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000006877327 569164047 /nfs/dbraw/zinc/16/40/47/569164047.db2.gz PIJAFRIURCUGGR-UHFFFAOYSA-N 1 1 407.514 3.775 50 0 HHAAMO OCC[C@H]1CCCC[N@H+]1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006940175 569185539 /nfs/dbraw/zinc/18/55/39/569185539.db2.gz DZYHFIDFXUNEFW-YADHBBJMSA-N 1 1 405.485 3.669 50 0 HHAAMO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccc(F)cc4)CC3)n2)cc1 ZINC000065184221 569191412 /nfs/dbraw/zinc/19/14/12/569191412.db2.gz OJOAYPFRRRFULY-UHFFFAOYSA-N 1 1 408.477 3.680 50 0 HHAAMO CC[N@@H+](CCNC(=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1)Cc1ccccc1 ZINC000065274623 569215194 /nfs/dbraw/zinc/21/51/94/569215194.db2.gz RTIYOKDALCAPGZ-UHFFFAOYSA-N 1 1 417.488 3.787 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 ZINC000007362265 569235242 /nfs/dbraw/zinc/23/52/42/569235242.db2.gz SKBNKVJDCVIMQW-JOCHJYFZSA-N 1 1 404.510 3.911 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 ZINC000007362265 569235243 /nfs/dbraw/zinc/23/52/43/569235243.db2.gz SKBNKVJDCVIMQW-JOCHJYFZSA-N 1 1 404.510 3.911 50 0 HHAAMO C[N@@H+]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@@H](c2ccccc2)C1 ZINC000065698570 569243763 /nfs/dbraw/zinc/24/37/63/569243763.db2.gz WAJCPYWPECGPDC-LJQANCHMSA-N 1 1 420.326 3.829 50 0 HHAAMO C[N@H+]1CCN(C(=O)NCCc2cc(Br)ccc2F)[C@@H](c2ccccc2)C1 ZINC000065698570 569243764 /nfs/dbraw/zinc/24/37/64/569243764.db2.gz WAJCPYWPECGPDC-LJQANCHMSA-N 1 1 420.326 3.829 50 0 HHAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)COc4ccc(Cl)cc4)cc3s2)CC1 ZINC000007512896 569243901 /nfs/dbraw/zinc/24/39/01/569243901.db2.gz ZSYSTYSIDYMMBK-UHFFFAOYSA-N 1 1 417.918 3.686 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CC4CCCC4)CC3)n2)cc1 ZINC000017012162 569271361 /nfs/dbraw/zinc/27/13/61/569271361.db2.gz AKJCWHIGHQBQIW-UHFFFAOYSA-N 1 1 409.534 3.766 50 0 HHAAMO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)c1noc([C@H](C2CC2)[NH+](C)C)n1 ZINC000252499995 569290942 /nfs/dbraw/zinc/29/09/42/569290942.db2.gz SLKZYRPWVDKMDE-SJORKVTESA-N 1 1 402.495 3.705 50 0 HHAAMO CCC1CCC([N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000252504700 569291188 /nfs/dbraw/zinc/29/11/88/569291188.db2.gz CWVNGBSHLZZPPF-DQOAATFDSA-N 1 1 405.558 3.750 50 0 HHAAMO CC(=O)CCc1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654883 569295380 /nfs/dbraw/zinc/29/53/80/569295380.db2.gz WJBOWKAXLZCAJA-XXBNENTESA-N 1 1 408.542 3.756 50 0 HHAAMO CCO[C@H](O)[C@@H]1[NH2+][C@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252626948 569310649 /nfs/dbraw/zinc/31/06/49/569310649.db2.gz RJAMVXLGGRZFAI-JKEDJMADSA-N 1 1 410.392 3.502 50 0 HHAAMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000007875202 569315051 /nfs/dbraw/zinc/31/50/51/569315051.db2.gz LCMNBIXRZGUFKQ-UHFFFAOYSA-N 1 1 411.483 3.983 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000252674599 569319477 /nfs/dbraw/zinc/31/94/77/569319477.db2.gz SIXCHSTYCOPRDB-XMSQKQJNSA-N 1 1 421.545 3.591 50 0 HHAAMO 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CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(SC)cc2)C[C@@H]1CCO ZINC000020542310 521483581 /nfs/dbraw/zinc/48/35/81/521483581.db2.gz WVROFGMJXDHWLD-NRFANRHFSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(SC)cc2)C[C@@H]1CCO ZINC000020542310 521483584 /nfs/dbraw/zinc/48/35/84/521483584.db2.gz WVROFGMJXDHWLD-NRFANRHFSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(SC)cc2)C[C@@H]1CCO ZINC000020542310 521483592 /nfs/dbraw/zinc/48/35/92/521483592.db2.gz WVROFGMJXDHWLD-NRFANRHFSA-N 1 1 400.588 3.876 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(SC)cc2)C[C@@H]1CCO ZINC000020542310 521483601 /nfs/dbraw/zinc/48/36/01/521483601.db2.gz WVROFGMJXDHWLD-NRFANRHFSA-N 1 1 400.588 3.876 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000032930752 524115204 /nfs/dbraw/zinc/11/52/04/524115204.db2.gz GIFYBHKBFYRIRW-GOSISDBHSA-N 1 1 414.571 3.536 50 0 HHAAMO Cc1cc(C)n2ncc(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)c2n1 ZINC000032272823 524572094 /nfs/dbraw/zinc/57/20/94/524572094.db2.gz CQZFHIWMZMTHKP-UHFFFAOYSA-N 1 1 405.527 3.519 50 0 HHAAMO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000020421678 526315917 /nfs/dbraw/zinc/31/59/17/526315917.db2.gz DNZDIKGNEVEJBW-UHFFFAOYSA-N 1 1 405.399 3.952 50 0 HHAAMO Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000032727610 526862540 /nfs/dbraw/zinc/86/25/40/526862540.db2.gz KRHFPVWIXWZOMQ-INIZCTEOSA-N 1 1 410.543 3.652 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000043136020 527376841 /nfs/dbraw/zinc/37/68/41/527376841.db2.gz VRARULXGQAFMBJ-GOSISDBHSA-N 1 1 414.513 3.908 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000043136020 527376843 /nfs/dbraw/zinc/37/68/43/527376843.db2.gz VRARULXGQAFMBJ-GOSISDBHSA-N 1 1 414.513 3.908 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1SC[C@H]1CCCO1 ZINC000040009639 527572719 /nfs/dbraw/zinc/57/27/19/527572719.db2.gz TUUMAUREVWPDJA-LJQANCHMSA-N 1 1 418.603 3.723 50 0 HHAAMO O=C(/C=C/c1cccc(Br)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029715345 527625334 /nfs/dbraw/zinc/62/53/34/527625334.db2.gz WLZLIHRISDDNTH-CMDGGOBGSA-N 1 1 415.331 3.611 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000002218910 535549201 /nfs/dbraw/zinc/54/92/01/535549201.db2.gz LZMKBTCUMPSQLV-OGTCDWKQSA-N 1 1 403.526 3.905 50 0 HHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccccc1 ZINC000001125735 557195278 /nfs/dbraw/zinc/19/52/78/557195278.db2.gz NQLKMXCVTVGQLV-IBGZPJMESA-N 1 1 405.523 3.803 50 0 HHAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccco3)cc2)CC1 ZINC000034668497 557361945 /nfs/dbraw/zinc/36/19/45/557361945.db2.gz WMGJXJKCUXWWKI-UHFFFAOYSA-N 1 1 405.498 3.540 50 0 HHAAMO COc1ccc(CC[N@@H+](C)Cc2cc(Br)c(O)c(OC)c2)cc1OC ZINC000004948400 557616312 /nfs/dbraw/zinc/61/63/12/557616312.db2.gz SWPAWVBUBOWCPW-UHFFFAOYSA-N 1 1 410.308 3.855 50 0 HHAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCOCCO)cc1 ZINC000002715156 557749998 /nfs/dbraw/zinc/74/99/98/557749998.db2.gz TWNJYCIPRZLHKQ-UHFFFAOYSA-N 1 1 404.470 3.517 50 0 HHAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2F)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022697102 557783812 /nfs/dbraw/zinc/78/38/12/557783812.db2.gz FIAJCFZRTLBFEM-XMMPIXPASA-N 1 1 421.516 3.933 50 0 HHAAMO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908230 557857326 /nfs/dbraw/zinc/85/73/26/557857326.db2.gz RENLHDCHEPURAQ-NRFANRHFSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908230 557857330 /nfs/dbraw/zinc/85/73/30/557857330.db2.gz RENLHDCHEPURAQ-NRFANRHFSA-N 1 1 419.550 3.911 50 0 HHAAMO O[C@H](COCc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720980 558259309 /nfs/dbraw/zinc/25/93/09/558259309.db2.gz MSSZMIUMUQIRJI-SANMLTNESA-N 1 1 416.565 3.971 50 0 HHAAMO COc1ccc(-n2ccnc2[C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000011664708 558268089 /nfs/dbraw/zinc/26/80/89/558268089.db2.gz PVJSCVSYDXNGQK-PZGSVQSZSA-N 1 1 414.509 3.823 50 0 HHAAMO COc1ccc(-n2ccnc2[C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000011664708 558268092 /nfs/dbraw/zinc/26/80/92/558268092.db2.gz PVJSCVSYDXNGQK-PZGSVQSZSA-N 1 1 414.509 3.823 50 0 HHAAMO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc(OC)c1OC ZINC000011717947 558272004 /nfs/dbraw/zinc/27/20/04/558272004.db2.gz QOSZIUVHLPOTET-SFHVURJKSA-N 1 1 416.493 3.588 50 0 HHAAMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc(OC)c1OC ZINC000011717947 558272007 /nfs/dbraw/zinc/27/20/07/558272007.db2.gz QOSZIUVHLPOTET-SFHVURJKSA-N 1 1 416.493 3.588 50 0 HHAAMO Cc1nnc(SCC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)s1 ZINC000011765328 558273864 /nfs/dbraw/zinc/27/38/64/558273864.db2.gz LZBYIISPHJFZRC-SFHVURJKSA-N 1 1 418.632 3.660 50 0 HHAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011818741 558281870 /nfs/dbraw/zinc/28/18/70/558281870.db2.gz XEAOYOOEWMDBDA-GOSISDBHSA-N 1 1 411.521 3.789 50 0 HHAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000019798903 558285158 /nfs/dbraw/zinc/28/51/58/558285158.db2.gz YWEUUPIJJXPPGJ-QFIPXVFZSA-N 1 1 420.557 3.824 50 0 HHAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000011874105 558291649 /nfs/dbraw/zinc/29/16/49/558291649.db2.gz KDKXTZWGVDGZEI-HXUWFJFHSA-N 1 1 409.555 3.566 50 0 HHAAMO CC[N@H+](Cc1ccccc1OCCO)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011878513 558292979 /nfs/dbraw/zinc/29/29/79/558292979.db2.gz JGHVJTJCBLHBRE-JOCHJYFZSA-N 1 1 414.565 3.973 50 0 HHAAMO CCN(Cc1ccccc1OCCO)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011878513 558292983 /nfs/dbraw/zinc/29/29/83/558292983.db2.gz JGHVJTJCBLHBRE-JOCHJYFZSA-N 1 1 414.565 3.973 50 0 HHAAMO CCN(Cc1ccccc1OCCO)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011878513 558292985 /nfs/dbraw/zinc/29/29/85/558292985.db2.gz JGHVJTJCBLHBRE-JOCHJYFZSA-N 1 1 414.565 3.973 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000011879387 558293998 /nfs/dbraw/zinc/29/39/98/558293998.db2.gz KFAFOGSDCSNULQ-QFIPXVFZSA-N 1 1 405.489 3.878 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1 ZINC000019841417 558294177 /nfs/dbraw/zinc/29/41/77/558294177.db2.gz BTFJEQVQNXNDFY-NRFANRHFSA-N 1 1 400.588 3.876 50 0 HHAAMO Cc1cc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000019853539 558296164 /nfs/dbraw/zinc/29/61/64/558296164.db2.gz HHLPBUQPFJWKRI-UHFFFAOYSA-N 1 1 416.363 3.904 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000011934117 558298718 /nfs/dbraw/zinc/29/87/18/558298718.db2.gz ZAGAYOJZYQAPMC-JOCHJYFZSA-N 1 1 403.906 3.895 50 0 HHAAMO OC[C@@H]1CCCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012028392 558310731 /nfs/dbraw/zinc/31/07/31/558310731.db2.gz KZMPPEGHWBFNSS-NRFANRHFSA-N 1 1 405.498 3.674 50 0 HHAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012076177 558319874 /nfs/dbraw/zinc/31/98/74/558319874.db2.gz BWPSUWIZTOIOJT-IBGZPJMESA-N 1 1 406.505 3.962 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020211913 558347928 /nfs/dbraw/zinc/34/79/28/558347928.db2.gz VOQMCADNYYLODA-FQEVSTJZSA-N 1 1 413.587 3.746 50 0 HHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000012191659 558347968 /nfs/dbraw/zinc/34/79/68/558347968.db2.gz HIHGFTWCABWDHJ-RTWAWAEBSA-N 1 1 400.544 3.661 50 0 HHAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294593 558354557 /nfs/dbraw/zinc/35/45/57/558354557.db2.gz JGUCXMRYILQGSW-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294593 558354560 /nfs/dbraw/zinc/35/45/60/558354560.db2.gz JGUCXMRYILQGSW-HXUWFJFHSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CCc4ccccc4)C3)C2=O)c1OC ZINC000020321792 558355350 /nfs/dbraw/zinc/35/53/50/558355350.db2.gz BUBHLRLSKLWNFF-RUZDIDTESA-N 1 1 408.542 3.761 50 0 HHAAMO CC[C@@H](C)[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)OC ZINC000020403776 558359868 /nfs/dbraw/zinc/35/98/68/558359868.db2.gz POHILCHOFCRIBO-KNQAVFIVSA-N 1 1 423.557 3.691 50 0 HHAAMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 ZINC000012245356 558361513 /nfs/dbraw/zinc/36/15/13/558361513.db2.gz RYRMZYLGUDNAFM-AWEZNQCLSA-N 1 1 407.436 3.556 50 0 HHAAMO CSCCC[N@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012302122 558371852 /nfs/dbraw/zinc/37/18/52/558371852.db2.gz ZCXYARUFIAYZNP-JOCHJYFZSA-N 1 1 403.636 3.576 50 0 HHAAMO COC[C@H]1CCCC[N@@H+]1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012314231 558377886 /nfs/dbraw/zinc/37/78/86/558377886.db2.gz DMEUTGORUMSANO-QGZVFWFLSA-N 1 1 404.580 3.803 50 0 HHAAMO COC[C@H]1CCCC[N@H+]1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000012314231 558377888 /nfs/dbraw/zinc/37/78/88/558377888.db2.gz DMEUTGORUMSANO-QGZVFWFLSA-N 1 1 404.580 3.803 50 0 HHAAMO CCOc1cc2c(cc1OC)[C@@H](c1cc3c(cc1Br)OCO3)[NH2+]CC2 ZINC000020506852 558381636 /nfs/dbraw/zinc/38/16/36/558381636.db2.gz KVDXCHXNUDEJGR-IBGZPJMESA-N 1 1 406.276 3.820 50 0 HHAAMO CCCn1ncc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2)C3)c1C ZINC000012430318 558405030 /nfs/dbraw/zinc/40/50/30/558405030.db2.gz KSLOZTCNBJBQOT-XMMPIXPASA-N 1 1 410.562 3.738 50 0 HHAAMO C[N@H+](Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)C(C1CC1)C1CC1 ZINC000012432277 558406745 /nfs/dbraw/zinc/40/67/45/558406745.db2.gz UUOPLADOLDYWMX-UHFFFAOYSA-N 1 1 401.576 3.540 50 0 HHAAMO C[N@@H+](Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1)C(C1CC1)C1CC1 ZINC000012432277 558406747 /nfs/dbraw/zinc/40/67/47/558406747.db2.gz UUOPLADOLDYWMX-UHFFFAOYSA-N 1 1 401.576 3.540 50 0 HHAAMO CN(C)c1ccc(CCC(=O)N(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012436161 558409082 /nfs/dbraw/zinc/40/90/82/558409082.db2.gz XWDAYJWUUIIOHO-DEOSSOPVSA-N 1 1 405.586 3.775 50 0 HHAAMO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@H+]1CC1CCCCC1 ZINC000020775792 558412198 /nfs/dbraw/zinc/41/21/98/558412198.db2.gz BKWHKVZWAQBGPB-QFIPXVFZSA-N 1 1 403.586 3.743 50 0 HHAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)CC2)CC1 ZINC000020782414 558413141 /nfs/dbraw/zinc/41/31/41/558413141.db2.gz HYVUGOSGGUSPCJ-UHFFFAOYSA-N 1 1 424.589 3.581 50 0 HHAAMO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)c(C(=O)N3CCOCC3)nc12 ZINC000012447283 558414587 /nfs/dbraw/zinc/41/45/87/558414587.db2.gz ZTGXLYMLFUSSFA-HXUWFJFHSA-N 1 1 422.504 3.591 50 0 HHAAMO Cc1cccn2c(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)c(C(=O)N3CCOCC3)nc12 ZINC000012447283 558414590 /nfs/dbraw/zinc/41/45/90/558414590.db2.gz ZTGXLYMLFUSSFA-HXUWFJFHSA-N 1 1 422.504 3.591 50 0 HHAAMO CCCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000072004988 558417499 /nfs/dbraw/zinc/41/74/99/558417499.db2.gz BFQZJEUJIIDMQV-UHFFFAOYSA-N 1 1 418.484 3.913 50 0 HHAAMO COC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012578037 558431513 /nfs/dbraw/zinc/43/15/13/558431513.db2.gz GAZUVUQKVUUQRW-IBGZPJMESA-N 1 1 412.505 3.639 50 0 HHAAMO COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)c1 ZINC000012587216 558434356 /nfs/dbraw/zinc/43/43/56/558434356.db2.gz KUGXBDSNVSOEHR-HXUWFJFHSA-N 1 1 408.542 3.808 50 0 HHAAMO CCn1nc(C)c(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1C ZINC000012594111 558436889 /nfs/dbraw/zinc/43/68/89/558436889.db2.gz WGYHTASHUZSTRV-JOCHJYFZSA-N 1 1 424.633 3.848 50 0 HHAAMO CC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796502 558449461 /nfs/dbraw/zinc/44/94/61/558449461.db2.gz GWJCPJDAFOGRDG-UHFFFAOYSA-N 1 1 415.472 3.895 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(OC)c(O)c(OC)c3)C2)c(OC)c1 ZINC000012708117 558450812 /nfs/dbraw/zinc/45/08/12/558450812.db2.gz JCOITLYCNKLQLU-INIZCTEOSA-N 1 1 415.486 3.522 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(OC)c(O)c(OC)c3)C2)c(OC)c1 ZINC000012708117 558450815 /nfs/dbraw/zinc/45/08/15/558450815.db2.gz JCOITLYCNKLQLU-INIZCTEOSA-N 1 1 415.486 3.522 50 0 HHAAMO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)c(=O)[nH]1 ZINC000012712672 558453633 /nfs/dbraw/zinc/45/36/33/558453633.db2.gz ZBCUHANVBOGLOF-RUZDIDTESA-N 1 1 407.558 3.553 50 0 HHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012747282 558458370 /nfs/dbraw/zinc/45/83/70/558458370.db2.gz IGQDNUOGOTZWET-IBGZPJMESA-N 1 1 408.477 3.589 50 0 HHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012747282 558458372 /nfs/dbraw/zinc/45/83/72/558458372.db2.gz IGQDNUOGOTZWET-IBGZPJMESA-N 1 1 408.477 3.589 50 0 HHAAMO COc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075615 558462493 /nfs/dbraw/zinc/46/24/93/558462493.db2.gz LCZXLALXESUFKO-UHFFFAOYSA-N 1 1 411.315 3.827 50 0 HHAAMO Cc1csc(=O)n1CCCC(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000022295074 558477012 /nfs/dbraw/zinc/47/70/12/558477012.db2.gz GMTXABAODBIURD-KBPBESRZSA-N 1 1 408.593 3.572 50 0 HHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)C1 ZINC000022296470 558477035 /nfs/dbraw/zinc/47/70/35/558477035.db2.gz DEZZFAKPNUWMMO-GJZGRUSLSA-N 1 1 401.532 3.921 50 0 HHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)C1 ZINC000022296463 558477078 /nfs/dbraw/zinc/47/70/78/558477078.db2.gz DEZZFAKPNUWMMO-HUUCEWRRSA-N 1 1 401.532 3.921 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012971971 558489213 /nfs/dbraw/zinc/48/92/13/558489213.db2.gz PUIVUMYMCKMFDC-CQSZACIVSA-N 1 1 419.407 3.797 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012971971 558489214 /nfs/dbraw/zinc/48/92/14/558489214.db2.gz PUIVUMYMCKMFDC-CQSZACIVSA-N 1 1 419.407 3.797 50 0 HHAAMO CC(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)[NH+]1CCOCC1 ZINC000022510890 558492950 /nfs/dbraw/zinc/49/29/50/558492950.db2.gz OIHKHIWCECMZFT-HXUWFJFHSA-N 1 1 424.570 3.687 50 0 HHAAMO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(OC)cc4)CC3)c2c1 ZINC000022752854 558507839 /nfs/dbraw/zinc/50/78/39/558507839.db2.gz IGQOSHNIDKUQAM-UHFFFAOYSA-N 1 1 408.498 3.518 50 0 biogenic,in-vitro HHAAMO C[C@@H](NC(=O)CN1CC[NH+](CCOc2ccccc2)CC1)c1cccc2ccccc21 ZINC000022774320 558509136 /nfs/dbraw/zinc/50/91/36/558509136.db2.gz QJURTBGGAFUGOL-OAQYLSRUSA-N 1 1 417.553 3.714 50 0 HHAAMO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@H+]1C1CCCCC1 ZINC000022913890 558520778 /nfs/dbraw/zinc/52/07/78/558520778.db2.gz USWOHPYHDMQLHR-NRFANRHFSA-N 1 1 402.970 3.931 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000022931600 558524528 /nfs/dbraw/zinc/52/45/28/558524528.db2.gz HZZYFVKJWCWZMV-HNNXBMFYSA-N 1 1 407.967 3.863 50 0 HHAAMO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@H+]1CCc1ccccc1 ZINC000022932729 558524920 /nfs/dbraw/zinc/52/49/20/558524920.db2.gz HWASPSPGVHLQBT-JOCHJYFZSA-N 1 1 407.583 3.921 50 0 HHAAMO Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CC[NH+](C)CC2)o1 ZINC000022938389 558527377 /nfs/dbraw/zinc/52/73/77/558527377.db2.gz GJCHFKZVQNFILX-HSZRJFAPSA-N 1 1 417.553 3.825 50 0 HHAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000023128945 558536675 /nfs/dbraw/zinc/53/66/75/558536675.db2.gz DUEYJYGKJWDQKJ-DEOSSOPVSA-N 1 1 415.537 3.857 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 ZINC000023340041 558550682 /nfs/dbraw/zinc/55/06/82/558550682.db2.gz FCIXDBXTCRSKHK-QFIPXVFZSA-N 1 1 421.545 3.673 50 0 HHAAMO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)cc1 ZINC000013688400 558570992 /nfs/dbraw/zinc/57/09/92/558570992.db2.gz RBDCZSPFTQKTLT-UHFFFAOYSA-N 1 1 408.502 3.585 50 0 HHAAMO O=C(CCSc1ccc(F)c(F)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024115515 558590006 /nfs/dbraw/zinc/59/00/06/558590006.db2.gz MAPCTHXPITXAJJ-UHFFFAOYSA-N 1 1 406.498 3.596 50 0 HHAAMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000025436503 558640783 /nfs/dbraw/zinc/64/07/83/558640783.db2.gz RDUQYTFKINYOAU-SFHVURJKSA-N 1 1 414.506 3.537 50 0 HHAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000025606213 558645572 /nfs/dbraw/zinc/64/55/72/558645572.db2.gz OYEAIDPUMHODSQ-LADGPHEKSA-N 1 1 407.558 3.780 50 0 HHAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014733345 558666160 /nfs/dbraw/zinc/66/61/60/558666160.db2.gz AUTOBCAOKNGENR-VQTJNVASSA-N 1 1 414.521 3.821 50 0 HHAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000014965777 558685569 /nfs/dbraw/zinc/68/55/69/558685569.db2.gz WHOYUNDZARWAFD-IBGZPJMESA-N 1 1 406.640 3.859 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(C(C)C)cs2)CC1 ZINC000014965777 558685572 /nfs/dbraw/zinc/68/55/72/558685572.db2.gz WHOYUNDZARWAFD-IBGZPJMESA-N 1 1 406.640 3.859 50 0 HHAAMO O=C1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CCN1Cc1cccnc1 ZINC000015003228 558698351 /nfs/dbraw/zinc/69/83/51/558698351.db2.gz AUAKVLHLYQCUHM-UHFFFAOYSA-N 1 1 401.510 3.895 50 0 HHAAMO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000072277372 558703423 /nfs/dbraw/zinc/70/34/23/558703423.db2.gz LPDKOVIRMUYWOW-NZQKXSOJSA-N 1 1 409.574 3.660 50 0 HHAAMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2nc(-c3ccccc3Cl)no2)CC1 ZINC000029140429 558710735 /nfs/dbraw/zinc/71/07/35/558710735.db2.gz PDVZQRKCCIOWQT-UHFFFAOYSA-N 1 1 412.877 3.946 50 0 HHAAMO C[N@@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCc2ccccc21 ZINC000029489094 558715741 /nfs/dbraw/zinc/71/57/41/558715741.db2.gz AIVOITKOGGOEDC-KRWDZBQOSA-N 1 1 417.303 3.778 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)sc2C1 ZINC000029784128 558720861 /nfs/dbraw/zinc/72/08/61/558720861.db2.gz SBHNIQHAKUYWIS-UHFFFAOYSA-N 1 1 407.543 3.756 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)sc2C1 ZINC000029784128 558720863 /nfs/dbraw/zinc/72/08/63/558720863.db2.gz SBHNIQHAKUYWIS-UHFFFAOYSA-N 1 1 407.543 3.756 50 0 HHAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2ccccc2n1 ZINC000072289643 558722118 /nfs/dbraw/zinc/72/21/18/558722118.db2.gz RCPJXXDIBJHPEK-QFIPXVFZSA-N 1 1 419.573 3.649 50 0 HHAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000072303668 558756559 /nfs/dbraw/zinc/75/65/59/558756559.db2.gz FABNVTJRHZMFQA-HXUWFJFHSA-N 1 1 404.514 3.650 50 0 HHAAMO CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000039413221 558821172 /nfs/dbraw/zinc/82/11/72/558821172.db2.gz OUKOGGNFXGTROH-NRFANRHFSA-N 1 1 419.573 3.695 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 ZINC000019112654 558841701 /nfs/dbraw/zinc/84/17/01/558841701.db2.gz FRYSEKCYGABFJU-LJQANCHMSA-N 1 1 423.557 3.658 50 0 HHAAMO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000055037036 558870195 /nfs/dbraw/zinc/87/01/95/558870195.db2.gz VFJPAXOOIZRONW-UHFFFAOYSA-N 1 1 419.569 3.809 50 0 HHAAMO CN(Cc1nccs1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055183426 558875286 /nfs/dbraw/zinc/87/52/86/558875286.db2.gz UQAVEWSZATZHEC-HXUWFJFHSA-N 1 1 403.592 3.779 50 0 HHAAMO CN(CC/C=C1/c2ccccc2CSc2ccccc21)C(=O)CN1CC[NH+](C)CC1 ZINC000019368248 558877236 /nfs/dbraw/zinc/87/72/36/558877236.db2.gz GKSHVNJSFHCDEJ-JJFYIABZSA-N 1 1 421.610 3.820 50 0 HHAAMO CC[C@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 ZINC000055343262 558879680 /nfs/dbraw/zinc/87/96/80/558879680.db2.gz BHTFDWAMVUJYQX-FQEVSTJZSA-N 1 1 407.514 3.666 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000033135295 558888138 /nfs/dbraw/zinc/88/81/38/558888138.db2.gz YEAOBLKYVJVGHI-HXUWFJFHSA-N 1 1 407.892 3.727 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000033135295 558888140 /nfs/dbraw/zinc/88/81/40/558888140.db2.gz YEAOBLKYVJVGHI-HXUWFJFHSA-N 1 1 407.892 3.727 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000033135295 558888143 /nfs/dbraw/zinc/88/81/43/558888143.db2.gz YEAOBLKYVJVGHI-HXUWFJFHSA-N 1 1 407.892 3.727 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000058315620 558919163 /nfs/dbraw/zinc/91/91/63/558919163.db2.gz SQKGSRLMKITFFQ-CQSZACIVSA-N 1 1 406.313 3.943 50 0 HHAAMO CC[N@@H+](CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(C)C ZINC000058370273 558922617 /nfs/dbraw/zinc/92/26/17/558922617.db2.gz NSARFDHOXIUOOK-UHFFFAOYSA-N 1 1 423.966 3.601 50 0 HHAAMO Cc1ccc(C[N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000019595389 558946157 /nfs/dbraw/zinc/94/61/57/558946157.db2.gz ITWSFRNMQXVAFO-FQEVSTJZSA-N 1 1 413.587 3.567 50 0 HHAAMO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011209697 558948927 /nfs/dbraw/zinc/94/89/27/558948927.db2.gz STSFYGMCYJGMIW-MRXNPFEDSA-N 1 1 421.463 3.931 50 0 HHAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000011209697 558948929 /nfs/dbraw/zinc/94/89/29/558948929.db2.gz STSFYGMCYJGMIW-MRXNPFEDSA-N 1 1 421.463 3.931 50 0 HHAAMO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c3ccccc3n2)cn1 ZINC000063870723 558960584 /nfs/dbraw/zinc/96/05/84/558960584.db2.gz LHBGXBSVHLOJOT-IBGZPJMESA-N 1 1 403.530 3.990 50 0 HHAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000072436873 558980342 /nfs/dbraw/zinc/98/03/42/558980342.db2.gz AAUZKXVFMNINJH-UHFFFAOYSA-N 1 1 418.904 3.532 50 0 HHAAMO COc1ccc(OC)c(-c2nc3cc4c(cc3cc2C[N@H+]2CCCOCC2)OCO4)c1 ZINC000072473167 558983533 /nfs/dbraw/zinc/98/35/33/558983533.db2.gz VOYWPUJHJPUWJK-UHFFFAOYSA-N 1 1 422.481 3.870 50 0 HHAAMO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000067614249 558989569 /nfs/dbraw/zinc/98/95/69/558989569.db2.gz TXNXPYWZYBHUQX-UHFFFAOYSA-N 1 1 406.574 3.598 50 0 HHAAMO C[C@@H](Cc1cccnc1)NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067740442 558992104 /nfs/dbraw/zinc/99/21/04/558992104.db2.gz GSDKOLBWPAXNGX-IBGZPJMESA-N 1 1 418.541 3.885 50 0 HHAAMO O=C(CC[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1)NC1CC1 ZINC000067743063 558992228 /nfs/dbraw/zinc/99/22/28/558992228.db2.gz XVONTZMVQWXXDE-UHFFFAOYSA-N 1 1 401.510 3.882 50 0 HHAAMO Cc1cccnc1CN1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077485917 559006893 /nfs/dbraw/zinc/00/68/93/559006893.db2.gz FZZWLBDRSDKSKT-UHFFFAOYSA-N 1 1 414.594 3.831 50 0 HHAAMO Cc1cccnc1CN1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077485917 559006895 /nfs/dbraw/zinc/00/68/95/559006895.db2.gz FZZWLBDRSDKSKT-UHFFFAOYSA-N 1 1 414.594 3.831 50 0 HHAAMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000097212893 559012495 /nfs/dbraw/zinc/01/24/95/559012495.db2.gz DXUWABFAHZMUTR-JKSUJKDBSA-N 1 1 400.548 3.718 50 0 HHAAMO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023115046 559012733 /nfs/dbraw/zinc/01/27/33/559012733.db2.gz LUVXCOYRHPQROI-PJVWNMJMSA-N 1 1 402.554 3.542 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@H](C)O1 ZINC000023182001 559031703 /nfs/dbraw/zinc/03/17/03/559031703.db2.gz GGNCAZNPJDDHNB-CALCHBBNSA-N 1 1 423.557 3.806 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C[C@H](C)O1 ZINC000023182001 559031705 /nfs/dbraw/zinc/03/17/05/559031705.db2.gz GGNCAZNPJDDHNB-CALCHBBNSA-N 1 1 423.557 3.806 50 0 HHAAMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083833 559036621 /nfs/dbraw/zinc/03/66/21/559036621.db2.gz ZCLNJGMGKIGSLU-QFIPXVFZSA-N 1 1 412.622 3.987 50 0 HHAAMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082139246 559040839 /nfs/dbraw/zinc/04/08/39/559040839.db2.gz AIEYWUUNZPCUFT-QHCPKHFHSA-N 1 1 410.606 3.765 50 0 HHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100637733 559137253 /nfs/dbraw/zinc/13/72/53/559137253.db2.gz ZSANMKJFUSSBOP-LJQANCHMSA-N 1 1 408.889 3.728 50 0 HHAAMO CCOc1ccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1 ZINC000004939860 559212340 /nfs/dbraw/zinc/21/23/40/559212340.db2.gz WVHSXVKSNBKHKL-UHFFFAOYSA-N 1 1 417.513 3.546 50 0 HHAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3CCCC[C@H]3CC)c21 ZINC000005093306 559244117 /nfs/dbraw/zinc/24/41/17/559244117.db2.gz RLRWJSBKYYIQDT-MRXNPFEDSA-N 1 1 415.534 3.875 50 0 HHAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4ccc(OC)cc4)ncn3)CC2)cc1 ZINC000037623901 559255980 /nfs/dbraw/zinc/25/59/80/559255980.db2.gz DSUJGHFNYHLKPF-UHFFFAOYSA-N 1 1 406.486 3.608 50 0 HHAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000005164248 559275788 /nfs/dbraw/zinc/27/57/88/559275788.db2.gz ZVKBSENSURYYII-QTJGBDASSA-N 1 1 400.563 3.812 50 0 HHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192809 559291607 /nfs/dbraw/zinc/29/16/07/559291607.db2.gz SSLSSAVLLVYWRJ-UHFFFAOYSA-N 1 1 421.563 3.874 50 0 HHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192809 559291608 /nfs/dbraw/zinc/29/16/08/559291608.db2.gz SSLSSAVLLVYWRJ-UHFFFAOYSA-N 1 1 421.563 3.874 50 0 HHAAMO CCOc1ccc(-c2noc(CCC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)n2)cc1 ZINC000024443880 560818810 /nfs/dbraw/zinc/81/88/10/560818810.db2.gz JVQRSOHHTJDFMX-OAQYLSRUSA-N 1 1 420.513 3.583 50 0 HHAAMO CCOc1ccc(-c2noc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)n2)cc1 ZINC000024443880 560818812 /nfs/dbraw/zinc/81/88/12/560818812.db2.gz JVQRSOHHTJDFMX-OAQYLSRUSA-N 1 1 420.513 3.583 50 0 HHAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984308 560858952 /nfs/dbraw/zinc/85/89/52/560858952.db2.gz SUEWZKUMSAHMSS-DHIUTWEWSA-N 1 1 414.521 3.854 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106576145 560892511 /nfs/dbraw/zinc/89/25/11/560892511.db2.gz FJNSNQCJKHTLOS-XZOQPEGZSA-N 1 1 406.574 3.724 50 0 HHAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cc1 ZINC000048289809 568435071 /nfs/dbraw/zinc/43/50/71/568435071.db2.gz KBCWFNQPICCDRU-MRXNPFEDSA-N 1 1 414.531 3.564 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCOc3c(C)cccc3C)cc2)CC1 ZINC000048302981 568437788 /nfs/dbraw/zinc/43/77/88/568437788.db2.gz ZNABXAMUYAMLQY-UHFFFAOYSA-N 1 1 409.574 3.526 50 0 HHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 ZINC000048325517 568438664 /nfs/dbraw/zinc/43/86/64/568438664.db2.gz LLARBGZVTDZMAY-OUKQBFOZSA-N 1 1 419.569 3.707 50 0 HHAAMO COC(=O)CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)CC(C)C ZINC000048368993 568442244 /nfs/dbraw/zinc/44/22/44/568442244.db2.gz LQYFWCZZOMGVIX-QFIPXVFZSA-N 1 1 402.560 3.783 50 0 HHAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192823 568455305 /nfs/dbraw/zinc/45/53/05/568455305.db2.gz QQAXVMGPDVWFSB-UHFFFAOYSA-N 1 1 421.563 3.875 50 0 HHAAMO CCC[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1 ZINC000005192823 568455307 /nfs/dbraw/zinc/45/53/07/568455307.db2.gz QQAXVMGPDVWFSB-UHFFFAOYSA-N 1 1 421.563 3.875 50 0 HHAAMO COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccc(Br)s1)[NH+](C)C ZINC000021333489 568463162 /nfs/dbraw/zinc/46/31/62/568463162.db2.gz YSUFJLHQSQANGB-SLZMIMFISA-N 1 1 409.349 3.952 50 0 HHAAMO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328356 568472065 /nfs/dbraw/zinc/47/20/65/568472065.db2.gz FMXDDIVMBJCQBG-LJQANCHMSA-N 1 1 411.571 3.718 50 0 HHAAMO CC1(C)CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000095351029 568601016 /nfs/dbraw/zinc/60/10/16/568601016.db2.gz IFAISOYGAXAWRV-UHFFFAOYSA-N 1 1 413.949 3.583 50 0 HHAAMO COc1cc(-c2noc(C[N@@H+](C(C)C)[C@H]3CCCC[C@@H]3O)n2)ccc1OC(F)F ZINC000095435058 568609584 /nfs/dbraw/zinc/60/95/84/568609584.db2.gz MFWWLKNNZOSBRR-GJZGRUSLSA-N 1 1 411.449 3.861 50 0 HHAAMO COc1ccc(SC)c(OC)c1C(=O)NCc1cccc(Cn2cc[nH+]c2C)c1 ZINC000095462908 568621655 /nfs/dbraw/zinc/62/16/55/568621655.db2.gz LEWBHOVEGFGEDX-UHFFFAOYSA-N 1 1 411.527 3.909 50 0 HHAAMO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000095463312 568621907 /nfs/dbraw/zinc/62/19/07/568621907.db2.gz RQTWBDIXNLJTFS-UHFFFAOYSA-N 1 1 416.525 3.599 50 0 HHAAMO C[NH+]1CCN(C(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000020828184 568644531 /nfs/dbraw/zinc/64/45/31/568644531.db2.gz UYNXLXJNKOKCHY-CAPFRKAQSA-N 1 1 411.571 3.591 50 0 HHAAMO COc1ccccc1N1CC[C@H](C)[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000225613905 568657040 /nfs/dbraw/zinc/65/70/40/568657040.db2.gz VERCQZZRVMPICU-INIZCTEOSA-N 1 1 422.485 3.575 50 0 HHAAMO COc1ccccc1N1CC[C@H](C)[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000225613905 568657042 /nfs/dbraw/zinc/65/70/42/568657042.db2.gz VERCQZZRVMPICU-INIZCTEOSA-N 1 1 422.485 3.575 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000225674774 568662969 /nfs/dbraw/zinc/66/29/69/568662969.db2.gz MGJIIOPJSSOTGX-HXUWFJFHSA-N 1 1 408.420 3.897 50 0 HHAAMO COc1ccc(CCC(=O)N2CC[NH+]([C@H](C)Cc3ccc4ccccc4n3)CC2)cc1 ZINC000095963785 568670435 /nfs/dbraw/zinc/67/04/35/568670435.db2.gz GWUVGSWKCPJZHP-HXUWFJFHSA-N 1 1 417.553 3.951 50 0 HHAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000021151463 568672193 /nfs/dbraw/zinc/67/21/93/568672193.db2.gz PEJNDYDLHMJXEJ-HSZRJFAPSA-N 1 1 423.944 3.973 50 0 HHAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000021151463 568672195 /nfs/dbraw/zinc/67/21/95/568672195.db2.gz PEJNDYDLHMJXEJ-HSZRJFAPSA-N 1 1 423.944 3.973 50 0 HHAAMO COc1cccc(C(=O)NC[C@@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000021151482 568672235 /nfs/dbraw/zinc/67/22/35/568672235.db2.gz CJAUDQHXHPWLQZ-QFIPXVFZSA-N 1 1 419.525 3.572 50 0 HHAAMO COc1cccc(C(=O)NC[C@@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c1OC ZINC000021151482 568672238 /nfs/dbraw/zinc/67/22/38/568672238.db2.gz CJAUDQHXHPWLQZ-QFIPXVFZSA-N 1 1 419.525 3.572 50 0 HHAAMO Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c1C ZINC000021171677 568676381 /nfs/dbraw/zinc/67/63/81/568676381.db2.gz RYTUGLJGFFPBPZ-HXUWFJFHSA-N 1 1 418.541 3.506 50 0 HHAAMO O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096007052 568683119 /nfs/dbraw/zinc/68/31/19/568683119.db2.gz MMESWLLOFKUMNC-GOSISDBHSA-N 1 1 423.340 3.645 50 0 HHAAMO O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000096007053 568683141 /nfs/dbraw/zinc/68/31/41/568683141.db2.gz MMESWLLOFKUMNC-SFHVURJKSA-N 1 1 423.340 3.645 50 0 HHAAMO Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000096007067 568683259 /nfs/dbraw/zinc/68/32/59/568683259.db2.gz YCNPXCWMMGCTHT-INIZCTEOSA-N 1 1 410.486 3.545 50 0 HHAAMO Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCC[N@@H+](C)C1CCCCC1)n2C ZINC000021529973 568710326 /nfs/dbraw/zinc/71/03/26/568710326.db2.gz NHLVRYKTNYGNQQ-UHFFFAOYSA-N 1 1 424.589 3.998 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C)[NH+](C)C ZINC000021557066 568714022 /nfs/dbraw/zinc/71/40/22/568714022.db2.gz JGSNAEURLVTECW-FQEVSTJZSA-N 1 1 410.493 3.670 50 0 HHAAMO COc1ccc(C2(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CCOCC2)cc1 ZINC000239359538 568729024 /nfs/dbraw/zinc/72/90/24/568729024.db2.gz AEPYNSXQVWGSTG-JOCHJYFZSA-N 1 1 400.563 3.657 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030621 568746989 /nfs/dbraw/zinc/74/69/89/568746989.db2.gz XTDZJSDWTQQJIA-AWEZNQCLSA-N 1 1 410.415 3.779 50 0 HHAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030621 568746990 /nfs/dbraw/zinc/74/69/90/568746990.db2.gz XTDZJSDWTQQJIA-AWEZNQCLSA-N 1 1 410.415 3.779 50 0 HHAAMO COc1ccc(C(=O)NNc2cc(C)[nH+]c3c(C)cc(Br)c(N)c23)cc1 ZINC000000985359 568760532 /nfs/dbraw/zinc/76/05/32/568760532.db2.gz ZJJGTPLYZACGQV-UHFFFAOYSA-N 1 1 415.291 3.962 50 0 HHAAMO O=S(=O)(NC1CC[NH+](Cc2ccccc2F)CC1)c1ccc(F)c(Cl)c1 ZINC000055643240 568781402 /nfs/dbraw/zinc/78/14/02/568781402.db2.gz VUGMGKRJUVOYSQ-UHFFFAOYSA-N 1 1 400.878 3.561 50 0 HHAAMO O=C(CC[NH2+][C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)N1CCCC1 ZINC000057157755 568824770 /nfs/dbraw/zinc/82/47/70/568824770.db2.gz QZEFVTBKYGMYRK-HXUWFJFHSA-N 1 1 419.447 3.987 50 0 HHAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000057286176 568825928 /nfs/dbraw/zinc/82/59/28/568825928.db2.gz RKSWCZTZVKFIHM-HSZRJFAPSA-N 1 1 407.539 3.902 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000057331585 568827047 /nfs/dbraw/zinc/82/70/47/568827047.db2.gz UIEWYSKXHVXKLA-MRXNPFEDSA-N 1 1 422.554 3.923 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000057331585 568827049 /nfs/dbraw/zinc/82/70/49/568827049.db2.gz UIEWYSKXHVXKLA-MRXNPFEDSA-N 1 1 422.554 3.923 50 0 HHAAMO CCCCn1c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)nc2cc(S(N)(=O)=O)ccc21 ZINC000057435040 568836695 /nfs/dbraw/zinc/83/66/95/568836695.db2.gz BCSDKAYLEIURFY-ZDUSSCGKSA-N 1 1 422.501 3.613 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000012527181 568843248 /nfs/dbraw/zinc/84/32/48/568843248.db2.gz PTDVBBQIXDZMNK-LJQANCHMSA-N 1 1 406.530 3.576 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000012527181 568843249 /nfs/dbraw/zinc/84/32/49/568843249.db2.gz PTDVBBQIXDZMNK-LJQANCHMSA-N 1 1 406.530 3.576 50 0 HHAAMO O=C(c1cccc(Nc2ncccn2)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000012539494 568847034 /nfs/dbraw/zinc/84/70/34/568847034.db2.gz BEWNRNPDOVRELZ-UHFFFAOYSA-N 1 1 405.477 3.707 50 0 HHAAMO O=C(c1cccc(Nc2ncccn2)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000012539494 568847035 /nfs/dbraw/zinc/84/70/35/568847035.db2.gz BEWNRNPDOVRELZ-UHFFFAOYSA-N 1 1 405.477 3.707 50 0 HHAAMO C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000230154818 568853053 /nfs/dbraw/zinc/85/30/53/568853053.db2.gz VZUKITQPOHGDGQ-CCKFTAQKSA-N 1 1 407.297 3.909 50 0 HHAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012579165 568863459 /nfs/dbraw/zinc/86/34/59/568863459.db2.gz RSCUOCGZUGTDQZ-JKSUJKDBSA-N 1 1 420.538 3.850 50 0 HHAAMO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012579165 568863460 /nfs/dbraw/zinc/86/34/60/568863460.db2.gz RSCUOCGZUGTDQZ-JKSUJKDBSA-N 1 1 420.538 3.850 50 0 HHAAMO O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299763267 568873637 /nfs/dbraw/zinc/87/36/37/568873637.db2.gz ZJEDNFSPIKAWDC-VXNXHJTFSA-N 1 1 400.526 3.773 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000263585443 568878524 /nfs/dbraw/zinc/87/85/24/568878524.db2.gz IQIXLLYUCWLZAW-PZJWPPBQSA-N 1 1 417.550 3.608 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000012785035 568959590 /nfs/dbraw/zinc/95/95/90/568959590.db2.gz NBDGRMNPALPSDI-UHFFFAOYSA-N 1 1 424.932 3.645 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCC(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012789059 568960848 /nfs/dbraw/zinc/96/08/48/568960848.db2.gz HOUOKHRMARDJFB-QFIPXVFZSA-N 1 1 423.513 3.639 50 0 HHAAMO Cc1ccsc1C[N@@H+](C)CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000007988488 568965781 /nfs/dbraw/zinc/96/57/81/568965781.db2.gz XEVYRPKRMVNKTL-UHFFFAOYSA-N 1 1 414.358 3.892 50 0 HHAAMO Cc1ccsc1C[N@H+](C)CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000007988488 568965783 /nfs/dbraw/zinc/96/57/83/568965783.db2.gz XEVYRPKRMVNKTL-UHFFFAOYSA-N 1 1 414.358 3.892 50 0 HHAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000008345273 568994539 /nfs/dbraw/zinc/99/45/39/568994539.db2.gz NSKJTFMXYBCPRJ-IFXJQAMLSA-N 1 1 421.994 3.934 50 0 HHAAMO Cc1cc(CSc2ncccc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000008367122 568995471 /nfs/dbraw/zinc/99/54/71/568995471.db2.gz IKYQKYHUOIBJGQ-SFHVURJKSA-N 1 1 408.527 3.675 50 0 HHAAMO O=C(C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)Nc1ccccn1 ZINC000038536032 568998165 /nfs/dbraw/zinc/99/81/65/568998165.db2.gz DMYLXTVSOGGPEB-UHFFFAOYSA-N 1 1 417.435 3.801 50 0 HHAAMO COc1ccc(-c2nc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1OC ZINC000012824704 569007841 /nfs/dbraw/zinc/00/78/41/569007841.db2.gz NDJCJBYDOBDXPV-SFHVURJKSA-N 1 1 423.538 3.832 50 0 HHAAMO Cc1ccc(CN2CC[N@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2CCO)o1 ZINC000104638448 569008012 /nfs/dbraw/zinc/00/80/12/569008012.db2.gz NEFRKAQYPPHMLQ-RUZDIDTESA-N 1 1 423.601 3.614 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982653 569009860 /nfs/dbraw/zinc/00/98/60/569009860.db2.gz KWSJNFCNEDZEJS-WOJBJXKFSA-N 1 1 400.494 3.607 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000012869229 569012376 /nfs/dbraw/zinc/01/23/76/569012376.db2.gz XVZKMIUGXXLFMD-UHFFFAOYSA-N 1 1 420.351 3.695 50 0 HHAAMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000012892616 569020213 /nfs/dbraw/zinc/02/02/13/569020213.db2.gz NYXXDZONHLKSER-FQEVSTJZSA-N 1 1 403.320 3.833 50 0 HHAAMO Cc1cc(C)cc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)c1 ZINC000035349288 569033429 /nfs/dbraw/zinc/03/34/29/569033429.db2.gz HBNQGNMYKOLONQ-BJKOFHAPSA-N 1 1 413.521 3.814 50 0 HHAAMO Cc1ccc(NC(=O)[C@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc2)c(C)c1 ZINC000035360346 569033652 /nfs/dbraw/zinc/03/36/52/569033652.db2.gz PUDZNQOVZOTPPS-BJKOFHAPSA-N 1 1 413.521 3.814 50 0 HHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(F)cc(F)c1)c1csc2ccccc21 ZINC000575620479 569038841 /nfs/dbraw/zinc/03/88/41/569038841.db2.gz KKVJPEKYOQEJFM-SFHVURJKSA-N 1 1 410.511 3.902 50 0 HHAAMO Cc1ccc(NC(=O)C[N@H+](CC(C)C)C2CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012997319 569048381 /nfs/dbraw/zinc/04/83/81/569048381.db2.gz VZGWRRKHCVNTSO-UHFFFAOYSA-N 1 1 421.607 3.619 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000240934414 569054658 /nfs/dbraw/zinc/05/46/58/569054658.db2.gz JBYNMQRWNBWKCN-HZPDHXFCSA-N 1 1 416.522 3.870 50 0 HHAAMO CCOc1ccccc1-c1noc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000240934414 569054659 /nfs/dbraw/zinc/05/46/59/569054659.db2.gz JBYNMQRWNBWKCN-HZPDHXFCSA-N 1 1 416.522 3.870 50 0 HHAAMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000244691799 569055140 /nfs/dbraw/zinc/05/51/40/569055140.db2.gz JJNMIPRSAJXCLP-MJGOQNOKSA-N 1 1 415.559 3.879 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000035808730 569060902 /nfs/dbraw/zinc/06/09/02/569060902.db2.gz GUKMKSGIQMCCDG-QRFQSNJMSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000035808730 569060903 /nfs/dbraw/zinc/06/09/03/569060903.db2.gz GUKMKSGIQMCCDG-QRFQSNJMSA-N 1 1 411.889 3.619 50 0 HHAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145872 569098455 /nfs/dbraw/zinc/09/84/55/569098455.db2.gz DSMSFORBEPAZLK-RTWAWAEBSA-N 1 1 400.494 3.607 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145872 569098457 /nfs/dbraw/zinc/09/84/57/569098457.db2.gz DSMSFORBEPAZLK-RTWAWAEBSA-N 1 1 400.494 3.607 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000006751928 569110626 /nfs/dbraw/zinc/11/06/26/569110626.db2.gz OSJADQUVHOOIRF-LJQANCHMSA-N 1 1 410.562 3.507 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036343776 569142321 /nfs/dbraw/zinc/14/23/21/569142321.db2.gz BDVYQMQMVPHULW-JOCHJYFZSA-N 1 1 410.949 3.574 50 0 HHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000006876473 569163416 /nfs/dbraw/zinc/16/34/16/569163416.db2.gz LSPVFHRKXFLWPZ-CALCHBBNSA-N 1 1 403.498 3.767 50 0 HHAAMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CC1 ZINC000036398380 569171561 /nfs/dbraw/zinc/17/15/61/569171561.db2.gz PUXMOQQPOWALCG-UHFFFAOYSA-N 1 1 406.299 3.588 50 0 HHAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)CC1 ZINC000007001631 569198773 /nfs/dbraw/zinc/19/87/73/569198773.db2.gz KZHALNCFLITKDB-UHFFFAOYSA-N 1 1 409.461 3.992 50 0 HHAAMO CCc1cc(C(=O)N2CC[NH+](CC)CC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 ZINC000036621625 569211908 /nfs/dbraw/zinc/21/19/08/569211908.db2.gz GELBKRWTQFDADL-UHFFFAOYSA-N 1 1 421.520 3.777 50 0 HHAAMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170597464 569242108 /nfs/dbraw/zinc/24/21/08/569242108.db2.gz KIDNJHVEOHEFJF-OAQYLSRUSA-N 1 1 417.594 3.906 50 0 HHAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)nn2)CC1 ZINC000013611583 569256696 /nfs/dbraw/zinc/25/66/96/569256696.db2.gz RWZPXLAJUDZIJK-UHFFFAOYSA-N 1 1 406.465 3.679 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1 ZINC000014071269 569258529 /nfs/dbraw/zinc/25/85/29/569258529.db2.gz RNVFZJHRROIHHK-ZEQRLZLVSA-N 1 1 408.542 3.929 50 0 HHAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)cc1 ZINC000014071269 569258530 /nfs/dbraw/zinc/25/85/30/569258530.db2.gz RNVFZJHRROIHHK-ZEQRLZLVSA-N 1 1 408.542 3.929 50 0 HHAAMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cnn1-c1cc(F)ccc1Cl ZINC000225414266 569395085 /nfs/dbraw/zinc/39/50/85/569395085.db2.gz BSRKOWKXVWEBEG-DNVCBOLYSA-N 1 1 404.917 3.968 50 0 biogenic HHAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc3nsnc3c2)CC1 ZINC000002435163 569399496 /nfs/dbraw/zinc/39/94/96/569399496.db2.gz UHLHPBGWMOSRGV-UHFFFAOYSA-N 1 1 401.923 3.739 50 0 HHAAMO C[S@](=O)CCN1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000078969635 569422423 /nfs/dbraw/zinc/42/24/23/569422423.db2.gz BBWZZWFLELPDEG-GDLZYMKVSA-N 1 1 420.569 3.873 50 0 HHAAMO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCC(Cc2ccccc2)CC1 ZINC000079488804 569432388 /nfs/dbraw/zinc/43/23/88/569432388.db2.gz BNGYEHVNPWMCIE-UHFFFAOYSA-N 1 1 409.574 3.532 50 0 HHAAMO Cn1c(CN2CCCCC2)cc(=O)c(O)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000079488804 569432389 /nfs/dbraw/zinc/43/23/89/569432389.db2.gz BNGYEHVNPWMCIE-UHFFFAOYSA-N 1 1 409.574 3.532 50 0 HHAAMO NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008762574 571114354 /nfs/dbraw/zinc/11/43/54/571114354.db2.gz XZGCSRAKBSQFEI-FQEVSTJZSA-N 1 1 415.324 3.890 50 0 HHAAMO COC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000008912270 571148360 /nfs/dbraw/zinc/14/83/60/571148360.db2.gz JTPWKXNRCOADNT-UHFFFAOYSA-N 1 1 424.526 3.635 50 0 HHAAMO Fc1ccc(OCc2noc(CN3CCC[N@@H+](Cc4cccs4)CC3)n2)cc1 ZINC000040088712 571158958 /nfs/dbraw/zinc/15/89/58/571158958.db2.gz WWYZRBXWJCHLKL-UHFFFAOYSA-N 1 1 402.495 3.557 50 0 HHAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000069950780 571250949 /nfs/dbraw/zinc/25/09/49/571250949.db2.gz HXANYRXTMUBJMB-UHFFFAOYSA-N 1 1 419.504 3.509 50 0 HHAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000009630224 571274677 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OFRZCWUFJFPXLL-FQEVSTJZSA-N 1 1 421.545 3.755 50 0 HHAAMO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757009 526598836 /nfs/dbraw/zinc/59/88/36/526598836.db2.gz LJLYGMZXRGXXAO-UHFFFAOYSA-N 1 1 403.507 3.701 50 0 HHAAMO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757000 526641197 /nfs/dbraw/zinc/64/11/97/526641197.db2.gz XOBNIMMESDDVCX-UHFFFAOYSA-N 1 1 404.491 3.966 50 0 HHAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000044921998 527002570 /nfs/dbraw/zinc/00/25/70/527002570.db2.gz JQMSPYOMJYYTCE-UHFFFAOYSA-N 1 1 411.285 3.950 50 0 HHAAMO O=S(=O)(c1ccccc1C[NH2+]C1c2ccccc2-c2ccccc21)N1CCOCC1 ZINC000032900788 527288696 /nfs/dbraw/zinc/28/86/96/527288696.db2.gz VUVWAQHHTPRYNO-UHFFFAOYSA-N 1 1 420.534 3.567 50 0 HHAAMO Cn1ccnc1SCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000044652945 527449984 /nfs/dbraw/zinc/44/99/84/527449984.db2.gz HDKMQZLNURWTBN-KRWDZBQOSA-N 1 1 414.531 3.855 50 0 HHAAMO Cc1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1 ZINC000034678029 557365623 /nfs/dbraw/zinc/36/56/23/557365623.db2.gz OTBYSTDPJBCEFW-UHFFFAOYSA-N 1 1 408.477 3.692 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=S)NC(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855669 557476931 /nfs/dbraw/zinc/47/69/31/557476931.db2.gz FVFIYZBHLSMBHH-FQEVSTJZSA-N 1 1 413.587 3.676 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](CNC(=S)NC(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855669 557476934 /nfs/dbraw/zinc/47/69/34/557476934.db2.gz FVFIYZBHLSMBHH-FQEVSTJZSA-N 1 1 413.587 3.676 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855820 557477652 /nfs/dbraw/zinc/47/76/52/557477652.db2.gz ICJYJTKOMMTDKQ-OAQYLSRUSA-N 1 1 411.546 3.819 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855820 557477653 /nfs/dbraw/zinc/47/76/53/557477653.db2.gz ICJYJTKOMMTDKQ-OAQYLSRUSA-N 1 1 411.546 3.819 50 0 HHAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261697 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3.944 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c3ccccc3c2C)C[C@@H]1CCO ZINC000019720622 558259019 /nfs/dbraw/zinc/25/90/19/558259019.db2.gz SQBVFYILJFUUST-NRFANRHFSA-N 1 1 407.558 3.944 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 ZINC000011662982 558266732 /nfs/dbraw/zinc/26/67/32/558266732.db2.gz IUUBWZAPFHIWSH-SFHVURJKSA-N 1 1 402.535 3.828 50 0 HHAAMO COc1ccc(CN2CC[N@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)cc1C ZINC000019782094 558281414 /nfs/dbraw/zinc/28/14/14/558281414.db2.gz FTDSCZSTHXZZAY-VWLOTQADSA-N 1 1 423.601 3.541 50 0 HHAAMO CCN(CC)C(=O)C1CC[NH+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)CC1 ZINC000011844213 558289000 /nfs/dbraw/zinc/28/90/00/558289000.db2.gz CBJXMERLGDKHMH-UHFFFAOYSA-N 1 1 403.498 3.878 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011874581 558292268 /nfs/dbraw/zinc/29/22/68/558292268.db2.gz XJRHAHBVEHAJEV-HXUWFJFHSA-N 1 1 418.497 3.510 50 0 HHAAMO COc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F ZINC000019841068 558294075 /nfs/dbraw/zinc/29/40/75/558294075.db2.gz KFUBOLGRZBKLLL-OAQYLSRUSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1F ZINC000019841068 558294076 /nfs/dbraw/zinc/29/40/76/558294076.db2.gz KFUBOLGRZBKLLL-OAQYLSRUSA-N 1 1 401.501 3.760 50 0 HHAAMO Cc1ccc(CN2CC[N@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@@H]2CCO)o1 ZINC000019852277 558295766 /nfs/dbraw/zinc/29/57/66/558295766.db2.gz NEFRKAQYPPHMLQ-VWLOTQADSA-N 1 1 423.601 3.614 50 0 HHAAMO CCOC(=O)N1CCC([N@@H+](C)C[C@H]2CCCN(CCc3ccccc3OC)C2)CC1 ZINC000011955640 558303535 /nfs/dbraw/zinc/30/35/35/558303535.db2.gz HRPVYDCSOMIUOT-HXUWFJFHSA-N 1 1 417.594 3.502 50 0 HHAAMO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000019924876 558307613 /nfs/dbraw/zinc/30/76/13/558307613.db2.gz ULYNKKPEIQAOOJ-UHFFFAOYSA-N 1 1 405.399 3.952 50 0 HHAAMO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012058426 558316818 /nfs/dbraw/zinc/31/68/18/558316818.db2.gz XDBDLABDMNGQND-SFHVURJKSA-N 1 1 403.567 3.803 50 0 HHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C ZINC000012076039 558319832 /nfs/dbraw/zinc/31/98/32/558319832.db2.gz IXJIVEYAOTYGTM-NRFANRHFSA-N 1 1 413.562 3.646 50 0 HHAAMO CCC[N@H+](Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1)CC1CC1 ZINC000012157087 558340744 /nfs/dbraw/zinc/34/07/44/558340744.db2.gz RXAFPHVVDXMGFT-UHFFFAOYSA-N 1 1 421.463 3.946 50 0 HHAAMO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cccc(OC)c4)CC3)c2c1 ZINC000020177607 558344049 /nfs/dbraw/zinc/34/40/49/558344049.db2.gz ZDLZREVJNUTJPI-UHFFFAOYSA-N 1 1 408.498 3.518 50 0 HHAAMO COCCN(Cc1ccc(COC)o1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020204742 558346497 /nfs/dbraw/zinc/34/64/97/558346497.db2.gz CZTGEGCYMNDDNT-FQEVSTJZSA-N 1 1 412.574 3.754 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012192839 558348382 /nfs/dbraw/zinc/34/83/82/558348382.db2.gz IYFUYGMCDZTTEV-OAQYLSRUSA-N 1 1 420.532 3.952 50 0 HHAAMO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012192839 558348384 /nfs/dbraw/zinc/34/83/84/558348384.db2.gz IYFUYGMCDZTTEV-OAQYLSRUSA-N 1 1 420.532 3.952 50 0 HHAAMO CCCc1nc2sc3c(ncnc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020393405 558359365 /nfs/dbraw/zinc/35/93/65/558359365.db2.gz UUHQUAAZLNYMCZ-UHFFFAOYSA-N 1 1 411.575 3.815 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000012297451 558367622 /nfs/dbraw/zinc/36/76/22/558367622.db2.gz UOIGHMYZAOUXQP-LJQANCHMSA-N 1 1 424.541 3.790 50 0 HHAAMO Cn1cc(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012300142 558370086 /nfs/dbraw/zinc/37/00/86/558370086.db2.gz RHPRYEHQKPBRFP-UHFFFAOYSA-N 1 1 415.497 3.676 50 0 HHAAMO COCCN(Cc1cc(CC(C)C)n[nH]1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012302047 558371818 /nfs/dbraw/zinc/37/18/18/558371818.db2.gz BQUKZNYDUAGIJH-NRFANRHFSA-N 1 1 424.633 3.936 50 0 HHAAMO COCCN(Cc1cc(CC(C)C)[nH]n1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012302047 558371821 /nfs/dbraw/zinc/37/18/21/558371821.db2.gz BQUKZNYDUAGIJH-NRFANRHFSA-N 1 1 424.633 3.936 50 0 HHAAMO COCCN(Cc1cc(CC(C)C)[nH]n1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012302047 558371823 /nfs/dbraw/zinc/37/18/23/558371823.db2.gz BQUKZNYDUAGIJH-NRFANRHFSA-N 1 1 424.633 3.936 50 0 HHAAMO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000012315354 558378811 /nfs/dbraw/zinc/37/88/11/558378811.db2.gz PGUJTFXPDKANJZ-SFHVURJKSA-N 1 1 422.495 3.774 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3CC)C[C@@H]2CCO)cc1 ZINC000020534132 558385582 /nfs/dbraw/zinc/38/55/82/558385582.db2.gz NXDINHMSNPDROX-NRFANRHFSA-N 1 1 422.573 3.524 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3CC)C[C@@H]2CCO)cc1 ZINC000020534132 558385584 /nfs/dbraw/zinc/38/55/84/558385584.db2.gz NXDINHMSNPDROX-NRFANRHFSA-N 1 1 422.573 3.524 50 0 HHAAMO COc1cc(CN(C)Cc2ccc(F)cc2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012430257 558405012 /nfs/dbraw/zinc/40/50/12/558405012.db2.gz DMULEYLWMICRNC-NRFANRHFSA-N 1 1 404.526 3.546 50 0 HHAAMO COc1cc(CN(C)Cc2ccc(F)cc2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012430257 558405015 /nfs/dbraw/zinc/40/50/15/558405015.db2.gz DMULEYLWMICRNC-NRFANRHFSA-N 1 1 404.526 3.546 50 0 HHAAMO CN(C)c1ccc(CCC(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012436159 558409107 /nfs/dbraw/zinc/40/91/07/558409107.db2.gz XWDAYJWUUIIOHO-XMMPIXPASA-N 1 1 405.586 3.775 50 0 HHAAMO CCOc1ccccc1C[N@@H+]1CCN(C/C=C/c2ccc(OC)cc2)C[C@@H]1CCO ZINC000020776934 558412205 /nfs/dbraw/zinc/41/22/05/558412205.db2.gz XUWLTMUIQIJSIZ-YQTDCCHMSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccccc1C[N@H+]1CCN(C/C=C/c2ccc(OC)cc2)C[C@@H]1CCO ZINC000020776934 558412207 /nfs/dbraw/zinc/41/22/07/558412207.db2.gz XUWLTMUIQIJSIZ-YQTDCCHMSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccccc1CN1CC[N@H+](C/C=C/c2ccc(OC)cc2)C[C@@H]1CCO ZINC000020776934 558412209 /nfs/dbraw/zinc/41/22/09/558412209.db2.gz XUWLTMUIQIJSIZ-YQTDCCHMSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](C/C=C/c2ccc(OC)cc2)C[C@@H]1CCO ZINC000020776934 558412211 /nfs/dbraw/zinc/41/22/11/558412211.db2.gz XUWLTMUIQIJSIZ-YQTDCCHMSA-N 1 1 410.558 3.676 50 0 HHAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012457469 558417833 /nfs/dbraw/zinc/41/78/33/558417833.db2.gz DHFDKUAEXIXZER-GOSISDBHSA-N 1 1 400.475 3.744 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012458068 558417990 /nfs/dbraw/zinc/41/79/90/558417990.db2.gz AXYPDWMLKORYNS-QGZVFWFLSA-N 1 1 403.906 3.815 50 0 HHAAMO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCCCC[N@H+]2C)CC1 ZINC000012458936 558418510 /nfs/dbraw/zinc/41/85/10/558418510.db2.gz UUHZMHSFRCELPX-HXUWFJFHSA-N 1 1 420.981 3.929 50 0 HHAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464727 558420268 /nfs/dbraw/zinc/42/02/68/558420268.db2.gz OHZFOUOTKYWFIV-SFHVURJKSA-N 1 1 414.521 3.950 50 0 HHAAMO COc1cc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464727 558420271 /nfs/dbraw/zinc/42/02/71/558420271.db2.gz OHZFOUOTKYWFIV-SFHVURJKSA-N 1 1 414.521 3.950 50 0 HHAAMO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464727 558420273 /nfs/dbraw/zinc/42/02/73/558420273.db2.gz OHZFOUOTKYWFIV-SFHVURJKSA-N 1 1 414.521 3.950 50 0 HHAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020998000 558427562 /nfs/dbraw/zinc/42/75/62/558427562.db2.gz KHIDEZSFUASJQW-QFIPXVFZSA-N 1 1 421.545 3.619 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](CNC(=O)c4cccnc4)C3)c2)n1 ZINC000012573395 558429974 /nfs/dbraw/zinc/42/99/74/558429974.db2.gz FXSJAHHAYWKJFM-NRFANRHFSA-N 1 1 403.530 3.526 50 0 HHAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnc(N)nc4)C3)cc2)c1 ZINC000012703262 558448511 /nfs/dbraw/zinc/44/85/11/558448511.db2.gz CCHYSMBBVDACRD-HXUWFJFHSA-N 1 1 417.513 3.585 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)[nH+]1 ZINC000021795196 558449267 /nfs/dbraw/zinc/44/92/67/558449267.db2.gz MVSYKVGHHLOOOC-UHFFFAOYSA-N 1 1 414.941 3.783 50 0 HHAAMO CC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)CC1 ZINC000012714074 558454186 /nfs/dbraw/zinc/45/41/86/558454186.db2.gz UJQCWYGHRSOCJR-XMMPIXPASA-N 1 1 403.611 3.530 50 0 HHAAMO O=C1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1 ZINC000012716703 558455425 /nfs/dbraw/zinc/45/54/25/558455425.db2.gz ANGFWFHWHAFYAU-UHFFFAOYSA-N 1 1 400.482 3.667 50 0 HHAAMO COCCN(Cc1ccc2nonc2c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012762735 558461305 /nfs/dbraw/zinc/46/13/05/558461305.db2.gz FSNYSBYOQHDANV-HXUWFJFHSA-N 1 1 420.557 3.551 50 0 HHAAMO O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012802750 558472299 /nfs/dbraw/zinc/47/22/99/558472299.db2.gz VRXMMHHXBXJTRR-URXFXBBRSA-N 1 1 423.557 3.957 50 0 HHAAMO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012803898 558472661 /nfs/dbraw/zinc/47/26/61/558472661.db2.gz GQEMZSNVBWSMCQ-MRXNPFEDSA-N 1 1 407.514 3.559 50 0 HHAAMO O=S(=O)(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCCCCC1 ZINC000012999049 558499683 /nfs/dbraw/zinc/49/96/83/558499683.db2.gz PWPXNTMCLQUMJS-UHFFFAOYSA-N 1 1 413.587 3.514 50 0 HHAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000022913351 558520340 /nfs/dbraw/zinc/52/03/40/558520340.db2.gz XZVKUQKLYWSWFI-DEOSSOPVSA-N 1 1 422.548 3.697 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(C)c1C ZINC000023145674 558538356 /nfs/dbraw/zinc/53/83/56/558538356.db2.gz IAUOFQLPOPMPBS-FQEVSTJZSA-N 1 1 404.501 3.659 50 0 HHAAMO CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccccc1 ZINC000023486302 558559747 /nfs/dbraw/zinc/55/97/47/558559747.db2.gz UYORKHRBPKXHMM-MRXNPFEDSA-N 1 1 401.894 3.641 50 0 HHAAMO CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccccc1 ZINC000023486302 558559749 /nfs/dbraw/zinc/55/97/49/558559749.db2.gz UYORKHRBPKXHMM-MRXNPFEDSA-N 1 1 401.894 3.641 50 0 HHAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023909376 558581475 /nfs/dbraw/zinc/58/14/75/558581475.db2.gz OHOAABKVKIASKN-IBGZPJMESA-N 1 1 422.554 3.538 50 0 HHAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nc3ccccc3c(=O)n2C2CCCC2)C1 ZINC000025106168 558631815 /nfs/dbraw/zinc/63/18/15/558631815.db2.gz GPRKHNMBSFDHFO-SFHVURJKSA-N 1 1 401.576 3.961 50 0 HHAAMO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238438 558642681 /nfs/dbraw/zinc/64/26/81/558642681.db2.gz OALJIVLWVZBTOD-RBBKRZOGSA-N 1 1 413.514 3.571 50 0 HHAAMO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000014745693 558668951 /nfs/dbraw/zinc/66/89/51/558668951.db2.gz VUJVSPGGZFXPPI-VQTJNVASSA-N 1 1 411.521 3.675 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 ZINC000014958074 558682840 /nfs/dbraw/zinc/68/28/40/558682840.db2.gz ZCSIBTOEAUYAHZ-GOSISDBHSA-N 1 1 423.586 3.516 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 ZINC000014958079 558682889 /nfs/dbraw/zinc/68/28/89/558682889.db2.gz ZCSIBTOEAUYAHZ-SFHVURJKSA-N 1 1 423.586 3.516 50 0 HHAAMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000027992458 558688519 /nfs/dbraw/zinc/68/85/19/558688519.db2.gz KLGMEZZFDRRRRT-LJQANCHMSA-N 1 1 402.579 3.903 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC ZINC000014980164 558690889 /nfs/dbraw/zinc/69/08/89/558690889.db2.gz FTUICHASAHRRDU-HXUWFJFHSA-N 1 1 414.468 3.861 50 0 HHAAMO CC(C)=CCC[C@H](C)C[N@@H+]1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014980538 558691179 /nfs/dbraw/zinc/69/11/79/558691179.db2.gz AZWYUZJTAYIZQH-KRWDZBQOSA-N 1 1 413.566 3.659 50 0 HHAAMO COc1cc(CN2C(=O)CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]32)cc(OC)c1OC ZINC000014989610 558693849 /nfs/dbraw/zinc/69/38/49/558693849.db2.gz CZNQGAJYTJCEHA-RTWAWAEBSA-N 1 1 424.541 3.726 50 0 HHAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[NH+]2CCCC2)cc1 ZINC000028290351 558696751 /nfs/dbraw/zinc/69/67/51/558696751.db2.gz IXOAKVDBNLMGFF-OAQYLSRUSA-N 1 1 420.509 3.985 50 0 HHAAMO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@@H+](C)CCc1ccccn1)C3 ZINC000015000027 558697266 /nfs/dbraw/zinc/69/72/66/558697266.db2.gz NGUIWJYNKDVZKR-GOSISDBHSA-N 1 1 410.587 3.931 50 0 HHAAMO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([N@@H+](C)CCc1ccccn1)C3 ZINC000015000024 558697306 /nfs/dbraw/zinc/69/73/06/558697306.db2.gz NGUIWJYNKDVZKR-SFHVURJKSA-N 1 1 410.587 3.931 50 0 HHAAMO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000072277369 558703208 /nfs/dbraw/zinc/70/32/08/558703208.db2.gz LPDKOVIRMUYWOW-OFNKIYASSA-N 1 1 409.574 3.660 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cnc(N(C)C)s2)C1 ZINC000015064199 558707085 /nfs/dbraw/zinc/70/70/85/558707085.db2.gz NXCVHWBPSMKKNU-SFHVURJKSA-N 1 1 402.608 3.604 50 0 HHAAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000015070081 558712105 /nfs/dbraw/zinc/71/21/05/558712105.db2.gz XCCDXSTZBRJOOQ-SFHVURJKSA-N 1 1 412.505 3.921 50 0 HHAAMO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000029926742 558724031 /nfs/dbraw/zinc/72/40/31/558724031.db2.gz YULUYYXDEAJYNR-ZDUSSCGKSA-N 1 1 400.350 3.949 50 0 HHAAMO CNC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000030533808 558731947 /nfs/dbraw/zinc/73/19/47/558731947.db2.gz RJOWXLVZXLTTLB-HXUWFJFHSA-N 1 1 401.510 3.647 50 0 HHAAMO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2OC)C3)c(OC)c1 ZINC000015778959 558752939 /nfs/dbraw/zinc/75/29/39/558752939.db2.gz AJXRWFGMKLKNDA-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2OC)C3)c(OC)c1 ZINC000015778959 558752941 /nfs/dbraw/zinc/75/29/41/558752941.db2.gz AJXRWFGMKLKNDA-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072308341 558770210 /nfs/dbraw/zinc/77/02/10/558770210.db2.gz UHKWHLBHIMFQGW-WMZHIEFXSA-N 1 1 423.557 3.563 50 0 HHAAMO Cc1ccc(OCc2nc(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000033326356 558829605 /nfs/dbraw/zinc/82/96/05/558829605.db2.gz WEKVUKPNAWZFAT-UHFFFAOYSA-N 1 1 421.566 3.917 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 ZINC000019112657 558841751 /nfs/dbraw/zinc/84/17/51/558841751.db2.gz FRYSEKCYGABFJU-IBGZPJMESA-N 1 1 423.557 3.658 50 0 HHAAMO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CCC2 ZINC000019224768 558852655 /nfs/dbraw/zinc/85/26/55/558852655.db2.gz HHRMVQSDNGHAJF-HSZRJFAPSA-N 1 1 401.558 3.941 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccccc1Cl ZINC000023016827 558863122 /nfs/dbraw/zinc/86/31/22/558863122.db2.gz GBQMDPAKDMZLPA-MAUKXSAKSA-N 1 1 419.978 3.673 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(C(F)(F)F)cc2)N1)OCCCO4 ZINC000019354065 558875568 /nfs/dbraw/zinc/87/55/68/558875568.db2.gz QQASYOOAIWGHJB-INIZCTEOSA-N 1 1 403.364 3.713 50 0 HHAAMO O=C(c1cccnc1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055196161 558875580 /nfs/dbraw/zinc/87/55/80/558875580.db2.gz OJEDSTWMEGMDFZ-FQEVSTJZSA-N 1 1 418.463 3.527 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000058183516 558910477 /nfs/dbraw/zinc/91/04/77/558910477.db2.gz BGOJPQNVEUMVGW-INIZCTEOSA-N 1 1 401.536 3.640 50 0 HHAAMO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(c2cc(NCCO)[nH+]cn2)C1 ZINC000071764873 558910684 /nfs/dbraw/zinc/91/06/84/558910684.db2.gz YEGHCPFXOSFABV-OAQYLSRUSA-N 1 1 402.498 3.647 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](CCc4ccccn4)C3)CC2)c1 ZINC000072144483 558929498 /nfs/dbraw/zinc/92/94/98/558929498.db2.gz ZHEUDDWSXSRLRF-JOCHJYFZSA-N 1 1 418.507 3.930 50 0 HHAAMO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(CCc4ccccn4)C3)CC2)c1 ZINC000072144483 558929500 /nfs/dbraw/zinc/92/95/00/558929500.db2.gz ZHEUDDWSXSRLRF-JOCHJYFZSA-N 1 1 418.507 3.930 50 0 HHAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000067612417 558988934 /nfs/dbraw/zinc/98/89/34/558988934.db2.gz BJQSUCWCZLELJQ-UHFFFAOYSA-N 1 1 424.508 3.600 50 0 HHAAMO Cc1ccnn1CCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000077345050 559002026 /nfs/dbraw/zinc/00/20/26/559002026.db2.gz IWVRXLGWAGDTAJ-HXUWFJFHSA-N 1 1 402.970 3.648 50 0 HHAAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000023115545 559012868 /nfs/dbraw/zinc/01/28/68/559012868.db2.gz OKQLPZPGBDTAMX-LAEWNIMASA-N 1 1 416.949 3.944 50 0 HHAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CCC3CCCCC3)CC2)C1 ZINC000082108166 559038670 /nfs/dbraw/zinc/03/86/70/559038670.db2.gz HVAVMBBOKONSHE-JOCHJYFZSA-N 1 1 412.622 3.845 50 0 HHAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CCC3CCCCC3)CC2)C1 ZINC000082108166 559038671 /nfs/dbraw/zinc/03/86/71/559038671.db2.gz HVAVMBBOKONSHE-JOCHJYFZSA-N 1 1 412.622 3.845 50 0 HHAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCCC1 ZINC000082127218 559039880 /nfs/dbraw/zinc/03/98/80/559039880.db2.gz PAVSQWRGQBNVCP-QHCPKHFHSA-N 1 1 412.622 3.941 50 0 HHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1 ZINC000082138568 559040622 /nfs/dbraw/zinc/04/06/22/559040622.db2.gz KZRXBMFCSZOXLL-HSZRJFAPSA-N 1 1 412.622 3.941 50 0 HHAAMO COc1ccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000033318304 559055906 /nfs/dbraw/zinc/05/59/06/559055906.db2.gz NQRMYRPTXYXSAA-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)[nH+]1 ZINC000033318349 559055928 /nfs/dbraw/zinc/05/59/28/559055928.db2.gz GHBSTEAHQPPFLB-UHFFFAOYSA-N 1 1 403.486 3.546 50 0 HHAAMO CC(C)c1ccccc1OCCOC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023224733 559062727 /nfs/dbraw/zinc/06/27/27/559062727.db2.gz GYJLEDGQCUUCJW-FQEVSTJZSA-N 1 1 416.537 3.528 50 0 HHAAMO CC(C)c1ccccc1OCCOC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000023224734 559062788 /nfs/dbraw/zinc/06/27/88/559062788.db2.gz GYJLEDGQCUUCJW-HXUWFJFHSA-N 1 1 416.537 3.528 50 0 HHAAMO CCN(C(=O)CN1CC[NH+](Cc2cccs2)CC1)c1nc2ccccc2s1 ZINC000023302387 559079163 /nfs/dbraw/zinc/07/91/63/559079163.db2.gz OZDIRELJIITVJF-UHFFFAOYSA-N 1 1 400.573 3.529 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)cc1 ZINC000096901448 559112609 /nfs/dbraw/zinc/11/26/09/559112609.db2.gz WABGBSSNCVVKBK-IBGZPJMESA-N 1 1 403.592 3.734 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@@H]2CCO)cc1 ZINC000096901448 559112610 /nfs/dbraw/zinc/11/26/10/559112610.db2.gz WABGBSSNCVVKBK-IBGZPJMESA-N 1 1 403.592 3.734 50 0 HHAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000072303669 559124278 /nfs/dbraw/zinc/12/42/78/559124278.db2.gz JWPAGRZVYIALCU-URXFXBBRSA-N 1 1 408.542 3.839 50 0 HHAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000072303667 559124288 /nfs/dbraw/zinc/12/42/88/559124288.db2.gz FABNVTJRHZMFQA-FQEVSTJZSA-N 1 1 404.514 3.650 50 0 HHAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000004928784 559208579 /nfs/dbraw/zinc/20/85/79/559208579.db2.gz ZENAWFLASUIGAP-HSZRJFAPSA-N 1 1 414.571 3.808 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1ccc2c(c1)CCO2 ZINC000409415174 559251167 /nfs/dbraw/zinc/25/11/67/559251167.db2.gz WFVBMBLZTHGCIK-XZOQPEGZSA-N 1 1 414.590 3.684 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984303 560858968 /nfs/dbraw/zinc/85/89/68/560858968.db2.gz FIKUOGRGTTXSKB-FGZHOGPDSA-N 1 1 400.494 3.607 50 0 HHAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000106920220 560894593 /nfs/dbraw/zinc/89/45/93/560894593.db2.gz JWPAGRZVYIALCU-XUZZJYLKSA-N 1 1 408.542 3.839 50 0 HHAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022908147 568416299 /nfs/dbraw/zinc/41/62/99/568416299.db2.gz ZEOLNLUWEIZPFI-NRFANRHFSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022908147 568416301 /nfs/dbraw/zinc/41/63/01/568416301.db2.gz ZEOLNLUWEIZPFI-NRFANRHFSA-N 1 1 419.550 3.911 50 0 HHAAMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032300 568424633 /nfs/dbraw/zinc/42/46/33/568424633.db2.gz BFBVREOZWFUURF-UHFFFAOYSA-N 1 1 400.548 3.869 50 0 HHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000048065872 568431857 /nfs/dbraw/zinc/43/18/57/568431857.db2.gz KTLUYIWHWOXAPF-FSNWXROXSA-N 1 1 413.543 3.893 50 0 HHAAMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000048065872 568431858 /nfs/dbraw/zinc/43/18/58/568431858.db2.gz KTLUYIWHWOXAPF-FSNWXROXSA-N 1 1 413.543 3.893 50 0 HHAAMO Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000048287500 568434719 /nfs/dbraw/zinc/43/47/19/568434719.db2.gz SZGMTVUSYFGAPD-UHFFFAOYSA-N 1 1 423.948 3.664 50 0 HHAAMO CCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2ccccc12 ZINC000048310346 568436642 /nfs/dbraw/zinc/43/66/42/568436642.db2.gz KIQBIHXBOZUQQI-LJQANCHMSA-N 1 1 414.527 3.947 50 0 HHAAMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326709 568471899 /nfs/dbraw/zinc/47/18/99/568471899.db2.gz BAMQVPYWMNHYKI-QVRRQISLSA-N 1 1 409.574 3.811 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214613 568594676 /nfs/dbraw/zinc/59/46/76/568594676.db2.gz CTEHOTDYYWVWMF-OAQYLSRUSA-N 1 1 415.534 3.521 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000095350894 568601097 /nfs/dbraw/zinc/60/10/97/568601097.db2.gz JQGFWGFWQFAANA-QGZVFWFLSA-N 1 1 424.588 3.517 50 0 HHAAMO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1Cl ZINC000020467810 568610479 /nfs/dbraw/zinc/61/04/79/568610479.db2.gz YXWSSRJXJOAVMJ-UHFFFAOYSA-N 1 1 406.939 3.641 50 0 HHAAMO Cc1cc(N2CC[NH+](C[C@@H]3CO[C@@H](c4ccc(Cl)cc4)O3)CC2)nc(C(C)C)n1 ZINC000095448100 568612392 /nfs/dbraw/zinc/61/23/92/568612392.db2.gz FITFLLREFQOPMD-DENIHFKCSA-N 1 1 416.953 3.798 50 0 HHAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](C)CC1)occ3-c1ccccc1 ZINC000020759732 568642171 /nfs/dbraw/zinc/64/21/71/568642171.db2.gz NMYSUGANRXCTNP-UHFFFAOYSA-N 1 1 416.477 3.831 50 0 biogenic HHAAMO C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020857474 568645718 /nfs/dbraw/zinc/64/57/18/568645718.db2.gz ODVTUYLPEXYOHS-VGOFRKELSA-N 1 1 424.545 3.964 50 0 HHAAMO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c(OC)c1OC ZINC000021038962 568659781 /nfs/dbraw/zinc/65/97/81/568659781.db2.gz JUTLUXIRCWKNCM-UHFFFAOYSA-N 1 1 424.476 3.943 50 0 HHAAMO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)c(OC)c1OC ZINC000021038962 568659784 /nfs/dbraw/zinc/65/97/84/568659784.db2.gz JUTLUXIRCWKNCM-UHFFFAOYSA-N 1 1 424.476 3.943 50 0 HHAAMO C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095961319 568670070 /nfs/dbraw/zinc/67/00/70/568670070.db2.gz VZUKITQPOHGDGQ-MDASCCDHSA-N 1 1 407.297 3.909 50 0 HHAAMO O=C1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CN1c1ccc(Cl)cc1 ZINC000021171643 568676504 /nfs/dbraw/zinc/67/65/04/568676504.db2.gz CCVDJDJGVMHHNU-KRWDZBQOSA-N 1 1 424.932 3.542 50 0 HHAAMO Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)cc1C ZINC000021171983 568676550 /nfs/dbraw/zinc/67/65/50/568676550.db2.gz XQBWFVFHGKCYLX-FQEVSTJZSA-N 1 1 418.541 3.506 50 0 HHAAMO COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2)cc1 ZINC000096116511 568696037 /nfs/dbraw/zinc/69/60/37/568696037.db2.gz AEEUAMDQRIBWIJ-NZQKXSOJSA-N 1 1 421.541 3.942 50 0 biogenic HHAAMO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 ZINC000096183249 568703099 /nfs/dbraw/zinc/70/30/99/568703099.db2.gz KJHLBEZERLXSTM-UHFFFAOYSA-N 1 1 410.499 3.601 50 0 HHAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000229605448 568714615 /nfs/dbraw/zinc/71/46/15/568714615.db2.gz BKRAGWZUQLQYSL-ROUUACIJSA-N 1 1 416.319 3.993 50 0 HHAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794435 568753420 /nfs/dbraw/zinc/75/34/20/568753420.db2.gz YGEICXXYEZNHSY-UHFFFAOYSA-N 1 1 403.486 3.926 50 0 HHAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000021794453 568753431 /nfs/dbraw/zinc/75/34/31/568753431.db2.gz FNYIREFXLLUQLN-UHFFFAOYSA-N 1 1 419.485 3.626 50 0 HHAAMO Cc1ccccc1COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000022577679 568770167 /nfs/dbraw/zinc/77/01/67/568770167.db2.gz ZPSMJKUXFPEFTM-UHFFFAOYSA-N 1 1 404.510 3.845 50 0 HHAAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1cccc(F)c1 ZINC000022577748 568770232 /nfs/dbraw/zinc/77/02/32/568770232.db2.gz XCDPPRHVQGDCDI-UHFFFAOYSA-N 1 1 408.473 3.676 50 0 HHAAMO CCOc1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4sccc4C3)CC2)cc1C ZINC000225690125 568779131 /nfs/dbraw/zinc/77/91/31/568779131.db2.gz NDPVWGITZCODOD-UHFFFAOYSA-N 1 1 420.600 3.667 50 0 HHAAMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N[C@H]1CCOc2ccccc21 ZINC000056453867 568807184 /nfs/dbraw/zinc/80/71/84/568807184.db2.gz INVDTRQCLLYDNK-FQEVSTJZSA-N 1 1 401.457 3.752 50 0 HHAAMO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000057369484 568829550 /nfs/dbraw/zinc/82/95/50/568829550.db2.gz DIONLWNYBVIUDQ-QPPBQGQZSA-N 1 1 422.525 3.585 50 0 HHAAMO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCOCC1 ZINC000057369484 568829551 /nfs/dbraw/zinc/82/95/51/568829551.db2.gz DIONLWNYBVIUDQ-QPPBQGQZSA-N 1 1 422.525 3.585 50 0 HHAAMO COc1ccc(Br)cc1/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029456 568856761 /nfs/dbraw/zinc/85/67/61/568856761.db2.gz NHXAWUJWNSRJRI-UFUQCMIWSA-N 1 1 415.331 3.986 50 0 HHAAMO COc1ccc(Br)cc1/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029456 568856763 /nfs/dbraw/zinc/85/67/63/568856763.db2.gz NHXAWUJWNSRJRI-UFUQCMIWSA-N 1 1 415.331 3.986 50 0 HHAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)n1 ZINC000299758570 568872988 /nfs/dbraw/zinc/87/29/88/568872988.db2.gz MVJKYXMPCLMUQN-BBWFWOEESA-N 1 1 404.436 3.646 50 0 HHAAMO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000299774291 568874611 /nfs/dbraw/zinc/87/46/11/568874611.db2.gz BOUJPUUIMYBWQU-QGZVFWFLSA-N 1 1 422.529 3.711 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058011055 568875938 /nfs/dbraw/zinc/87/59/38/568875938.db2.gz INENECQXBFFEDY-TZIWHRDSSA-N 1 1 413.587 3.673 50 0 HHAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)n1 ZINC000299802636 568876765 /nfs/dbraw/zinc/87/67/65/568876765.db2.gz UKGNOQIYHQCACS-KSZLIROESA-N 1 1 418.463 3.688 50 0 HHAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000003349190 568885164 /nfs/dbraw/zinc/88/51/64/568885164.db2.gz QALJQOJLSJSRKS-HNNXBMFYSA-N 1 1 417.756 3.684 50 0 HHAAMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1Cl ZINC000012745354 568931312 /nfs/dbraw/zinc/93/13/12/568931312.db2.gz NLWJMZPUKHIWCC-HNNXBMFYSA-N 1 1 415.921 3.574 50 0 HHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000004086949 568940864 /nfs/dbraw/zinc/94/08/64/568940864.db2.gz JZHROEXTAFJDRB-UHFFFAOYSA-N 1 1 408.907 3.584 50 0 HHAAMO CC[N@H+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(=O)OC)C1 ZINC000004086949 568940865 /nfs/dbraw/zinc/94/08/65/568940865.db2.gz JZHROEXTAFJDRB-UHFFFAOYSA-N 1 1 408.907 3.584 50 0 HHAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012761290 568945786 /nfs/dbraw/zinc/94/57/86/568945786.db2.gz GCTNABKKDNKHLU-UHFFFAOYSA-N 1 1 402.922 3.646 50 0 HHAAMO C[N@@H+](CCCOC(=O)c1cnn(C(C)(C)C)c1)C1CCN(Cc2ccccc2)CC1 ZINC000084325821 568946189 /nfs/dbraw/zinc/94/61/89/568946189.db2.gz ZOCJSDJLABMBEU-UHFFFAOYSA-N 1 1 412.578 3.781 50 0 HHAAMO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc(Br)cc1)Oc1ccccc1 ZINC000084556899 568951008 /nfs/dbraw/zinc/95/10/08/568951008.db2.gz SMONARLIVHPPMK-SFHVURJKSA-N 1 1 410.333 3.995 50 0 HHAAMO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1)Oc1ccccc1 ZINC000084556899 568951010 /nfs/dbraw/zinc/95/10/10/568951010.db2.gz SMONARLIVHPPMK-SFHVURJKSA-N 1 1 410.333 3.995 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000015731287 568981892 /nfs/dbraw/zinc/98/18/92/568981892.db2.gz MVPZTKIJSFINEK-GOSISDBHSA-N 1 1 409.509 3.796 50 0 HHAAMO O=C(CCc1ccsc1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000053195950 568987898 /nfs/dbraw/zinc/98/78/98/568987898.db2.gz NWQFQXZYRCYSGR-UHFFFAOYSA-N 1 1 416.572 3.569 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1cccc(Cl)c1 ZINC000008310556 568988745 /nfs/dbraw/zinc/98/87/45/568988745.db2.gz OTGUGOHDPKSHNY-LJQANCHMSA-N 1 1 400.906 3.955 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NCc1cccc(Cl)c1 ZINC000008310556 568988746 /nfs/dbraw/zinc/98/87/46/568988746.db2.gz OTGUGOHDPKSHNY-LJQANCHMSA-N 1 1 400.906 3.955 50 0 HHAAMO COc1ccc(C=C2C[N@@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000053213726 568992267 /nfs/dbraw/zinc/99/22/67/568992267.db2.gz SECUXGOCAXAHGI-GUOCTKQSSA-N 1 1 407.539 3.506 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)c(C)c1C ZINC000104349236 569008361 /nfs/dbraw/zinc/00/83/61/569008361.db2.gz RZSYFHNSQOFIGK-OAQYLSRUSA-N 1 1 416.537 3.529 50 0 HHAAMO COc1ccc(CN2CC[N@H+](C3CCN(c4ccccc4)CC3)C[C@H]2CCO)cc1C ZINC000104456208 569008613 /nfs/dbraw/zinc/00/86/13/569008613.db2.gz FTDSCZSTHXZZAY-RUZDIDTESA-N 1 1 423.601 3.541 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C ZINC000104491501 569008876 /nfs/dbraw/zinc/00/88/76/569008876.db2.gz DNHYOAIUKCOWJH-XMMPIXPASA-N 1 1 410.558 3.583 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C ZINC000104491501 569008877 /nfs/dbraw/zinc/00/88/77/569008877.db2.gz DNHYOAIUKCOWJH-XMMPIXPASA-N 1 1 410.558 3.583 50 0 HHAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868929 569012341 /nfs/dbraw/zinc/01/23/41/569012341.db2.gz OPROJYRZEWFZIJ-INIZCTEOSA-N 1 1 406.452 3.948 50 0 HHAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012868929 569012342 /nfs/dbraw/zinc/01/23/42/569012342.db2.gz OPROJYRZEWFZIJ-INIZCTEOSA-N 1 1 406.452 3.948 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012909557 569021443 /nfs/dbraw/zinc/02/14/43/569021443.db2.gz XQQKWNODAONREE-AWEZNQCLSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012909557 569021444 /nfs/dbraw/zinc/02/14/44/569021444.db2.gz XQQKWNODAONREE-AWEZNQCLSA-N 1 1 403.408 3.918 50 0 HHAAMO COc1cccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000229482960 569040491 /nfs/dbraw/zinc/04/04/91/569040491.db2.gz BZBPIJBDGJCONN-BEFAXECRSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1cccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000229482960 569040492 /nfs/dbraw/zinc/04/04/92/569040492.db2.gz BZBPIJBDGJCONN-BEFAXECRSA-N 1 1 421.522 3.816 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@@H](C)C3)CC1 ZINC000054214541 569061209 /nfs/dbraw/zinc/06/12/09/569061209.db2.gz NYVMRLAAMNFSQN-CQSZACIVSA-N 1 1 417.600 3.964 50 0 HHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000064450173 569062728 /nfs/dbraw/zinc/06/27/28/569062728.db2.gz ZYNCQOBMSXWXCY-UHFFFAOYSA-N 1 1 401.514 3.810 50 0 HHAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648176 569073694 /nfs/dbraw/zinc/07/36/94/569073694.db2.gz RPOGEBDWDQUXDG-OAQYLSRUSA-N 1 1 406.933 3.672 50 0 HHAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648176 569073695 /nfs/dbraw/zinc/07/36/95/569073695.db2.gz RPOGEBDWDQUXDG-OAQYLSRUSA-N 1 1 406.933 3.672 50 0 HHAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648176 569073696 /nfs/dbraw/zinc/07/36/96/569073696.db2.gz RPOGEBDWDQUXDG-OAQYLSRUSA-N 1 1 406.933 3.672 50 0 HHAAMO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000036011478 569075729 /nfs/dbraw/zinc/07/57/29/569075729.db2.gz RSULOEGYCWNJRA-UHFFFAOYSA-N 1 1 402.535 3.858 50 0 HHAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801039 569096879 /nfs/dbraw/zinc/09/68/79/569096879.db2.gz QINJHDMIMVAEPT-UHFFFAOYSA-N 1 1 419.485 3.626 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145900 569098368 /nfs/dbraw/zinc/09/83/68/569098368.db2.gz FIKUOGRGTTXSKB-YADHBBJMSA-N 1 1 400.494 3.607 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146238 569098565 /nfs/dbraw/zinc/09/85/65/569098565.db2.gz RWTSNIIHWPDSRX-SFTDATJTSA-N 1 1 414.521 3.854 50 0 HHAAMO O=C(C1=CC[N@@H+](Cc2ccc(F)cc2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000064818052 569101175 /nfs/dbraw/zinc/10/11/75/569101175.db2.gz YLGUPRTWEINZEH-UHFFFAOYSA-N 1 1 413.924 3.960 50 0 HHAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)NCc3cccc(Br)c3)CC2)c1 ZINC000064818013 569101187 /nfs/dbraw/zinc/10/11/87/569101187.db2.gz YTQUUKKLRZJFSO-UHFFFAOYSA-N 1 1 415.331 3.906 50 0 HHAAMO Cn1c2ccccc2c2sc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2c1=O ZINC000006771944 569117217 /nfs/dbraw/zinc/11/72/17/569117217.db2.gz RAMLYWYKRUGUTN-UHFFFAOYSA-N 1 1 405.523 3.615 50 0 HHAAMO C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036250259 569119286 /nfs/dbraw/zinc/11/92/86/569119286.db2.gz OFTVIZDMACCCLI-AVRDEDQJSA-N 1 1 415.553 3.543 50 0 HHAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000036309544 569131203 /nfs/dbraw/zinc/13/12/03/569131203.db2.gz WIRUARKGSPHMEU-NQIIRXRSSA-N 1 1 416.587 3.653 50 0 HHAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000036312154 569132779 /nfs/dbraw/zinc/13/27/79/569132779.db2.gz LPMZJSJISVRSEH-MRXNPFEDSA-N 1 1 414.525 3.770 50 0 HHAAMO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)cc1OCC ZINC000006891467 569174101 /nfs/dbraw/zinc/17/41/01/569174101.db2.gz AHPNCPDCFIKKOK-LJQANCHMSA-N 1 1 401.532 3.778 50 0 HHAAMO CC[C@@H](C)[C@@H]1Nc2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919973 569181774 /nfs/dbraw/zinc/18/17/74/569181774.db2.gz BJAZSKMNNHULRK-IERDGZPVSA-N 1 1 400.567 3.850 50 0 HHAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccc(F)cc4)CC3)n2)c1 ZINC000065184216 569191341 /nfs/dbraw/zinc/19/13/41/569191341.db2.gz PGINWGMZNGVAPW-UHFFFAOYSA-N 1 1 408.477 3.680 50 0 HHAAMO Cc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCC(C)CC4)cs3)CC2)cc1F ZINC000065200256 569193699 /nfs/dbraw/zinc/19/36/99/569193699.db2.gz PBDGVFLZLSLFGT-UHFFFAOYSA-N 1 1 416.566 3.785 50 0 HHAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)c3c(F)cccc3F)n2)cc1 ZINC000036708120 569222183 /nfs/dbraw/zinc/22/21/83/569222183.db2.gz KHFUFVHZENDMER-UHFFFAOYSA-N 1 1 413.428 3.657 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700063 569222467 /nfs/dbraw/zinc/22/24/67/569222467.db2.gz JAWLHGFJUPXAMJ-OAQYLSRUSA-N 1 1 402.922 3.932 50 0 HHAAMO COc1ccc(Cl)cc1C(=O)NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700063 569222468 /nfs/dbraw/zinc/22/24/68/569222468.db2.gz JAWLHGFJUPXAMJ-OAQYLSRUSA-N 1 1 402.922 3.932 50 0 HHAAMO Cn1cc(C[NH+]2CCN(C(=O)c3ccccc3Br)CC2)c2ccccc21 ZINC000065330066 569224960 /nfs/dbraw/zinc/22/49/60/569224960.db2.gz XWCLYSQFHJLZIF-UHFFFAOYSA-N 1 1 412.331 3.899 50 0 HHAAMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000007268008 569231103 /nfs/dbraw/zinc/23/11/03/569231103.db2.gz NNGYCUQEBMQCGK-AWEZNQCLSA-N 1 1 407.308 3.796 50 0 HHAAMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000007268008 569231104 /nfs/dbraw/zinc/23/11/04/569231104.db2.gz NNGYCUQEBMQCGK-AWEZNQCLSA-N 1 1 407.308 3.796 50 0 HHAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000007340796 569234509 /nfs/dbraw/zinc/23/45/09/569234509.db2.gz YOHNYZXWOKOPDJ-MRXNPFEDSA-N 1 1 411.502 3.627 50 0 HHAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007340796 569234510 /nfs/dbraw/zinc/23/45/10/569234510.db2.gz YOHNYZXWOKOPDJ-MRXNPFEDSA-N 1 1 411.502 3.627 50 0 HHAAMO Cc1ccc(OC(F)F)c(CNc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000170680066 569298077 /nfs/dbraw/zinc/29/80/77/569298077.db2.gz DKWKAZSXGHLOFE-UHFFFAOYSA-N 1 1 403.473 3.525 50 0 HHAAMO CCO[C@H](O)[C@@H]1[NH2+][C@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000252626949 569310584 /nfs/dbraw/zinc/31/05/84/569310584.db2.gz RJAMVXLGGRZFAI-QQXKLLMISA-N 1 1 410.392 3.502 50 0 HHAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000026771575 569357624 /nfs/dbraw/zinc/35/76/24/569357624.db2.gz IYKRYPCAWRTXRE-PZUNEJSGSA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc2c(c1)OCCO2 ZINC000027574131 569374587 /nfs/dbraw/zinc/37/45/87/569374587.db2.gz ULBMUXIUQMLCBD-UHFFFAOYSA-N 1 1 410.470 3.570 50 0 HHAAMO CCc1[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c(C)c1C(=O)OC ZINC000328591654 569415046 /nfs/dbraw/zinc/41/50/46/569415046.db2.gz GNOUXKGRBFBCQD-MRXNPFEDSA-N 1 1 417.575 3.636 50 0 HHAAMO COc1cc(F)ccc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300747 569415784 /nfs/dbraw/zinc/41/57/84/569415784.db2.gz MHFMUTGVUNGLFS-JOCHJYFZSA-N 1 1 401.501 3.760 50 0 HHAAMO COc1cc(F)ccc1C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300747 569415786 /nfs/dbraw/zinc/41/57/86/569415786.db2.gz MHFMUTGVUNGLFS-JOCHJYFZSA-N 1 1 401.501 3.760 50 0 HHAAMO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000078716637 569419856 /nfs/dbraw/zinc/41/98/56/569419856.db2.gz WCJZBILMZSBRCV-GOSISDBHSA-N 1 1 401.576 3.822 50 0 HHAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000078729245 569420025 /nfs/dbraw/zinc/42/00/25/569420025.db2.gz FXNKWQNWCVRWOO-QGZVFWFLSA-N 1 1 415.584 3.795 50 0 HHAAMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000078729245 569420027 /nfs/dbraw/zinc/42/00/27/569420027.db2.gz FXNKWQNWCVRWOO-QGZVFWFLSA-N 1 1 415.584 3.795 50 0 HHAAMO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@H+]1C ZINC000078870216 569421134 /nfs/dbraw/zinc/42/11/34/569421134.db2.gz OIOJDZZVRKWRCQ-KSSFIOAISA-N 1 1 405.336 3.922 50 0 HHAAMO O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000078879443 569421462 /nfs/dbraw/zinc/42/14/62/569421462.db2.gz AXJUCWBQEPAGOK-HSZRJFAPSA-N 1 1 423.601 3.682 50 0 HHAAMO CC1(C)CCC[C@H]1[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000079022072 569424456 /nfs/dbraw/zinc/42/44/56/569424456.db2.gz FZTZZRQRGDKMDN-OAQYLSRUSA-N 1 1 400.563 3.869 50 0 HHAAMO Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)o2)n1 ZINC000079193988 569429406 /nfs/dbraw/zinc/42/94/06/569429406.db2.gz RWBUWSCVTDHDRL-PKOBYXMFSA-N 1 1 414.575 3.973 50 0 biogenic HHAAMO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008488614 571055404 /nfs/dbraw/zinc/05/54/04/571055404.db2.gz DNNBQOCVRVHOPO-HNNXBMFYSA-N 1 1 423.538 3.909 50 0 HHAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2)CC1 ZINC000040115268 571172989 /nfs/dbraw/zinc/17/29/89/571172989.db2.gz ZYTBTHPUUKMOQG-UHFFFAOYSA-N 1 1 422.598 3.683 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149650 571196899 /nfs/dbraw/zinc/19/68/99/571196899.db2.gz JHUJEIXNUPPYLQ-KGLIPLIRSA-N 1 1 406.939 3.783 50 0 HHAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000040149650 571196900 /nfs/dbraw/zinc/19/69/00/571196900.db2.gz JHUJEIXNUPPYLQ-KGLIPLIRSA-N 1 1 406.939 3.783 50 0 HHAAMO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000040156445 571203540 /nfs/dbraw/zinc/20/35/40/571203540.db2.gz HARZTEAIRXPEDL-AUSIDOKSSA-N 1 1 409.574 3.988 50 0 HHAAMO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccc(F)cc2)C3)c1C ZINC000069656379 571237036 /nfs/dbraw/zinc/23/70/36/571237036.db2.gz DTZQIUSELYXLQF-MRXNPFEDSA-N 1 1 421.520 3.801 50 0 HHAAMO Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000069871358 571247388 /nfs/dbraw/zinc/24/73/88/571247388.db2.gz FLCGWZMYJGYAOE-UHFFFAOYSA-N 1 1 421.520 3.659 50 0 HHAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000069873423 571247866 /nfs/dbraw/zinc/24/78/66/571247866.db2.gz RZYOGAXKSQIAAX-UHFFFAOYSA-N 1 1 419.504 3.509 50 0 HHAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009446734 571259611 /nfs/dbraw/zinc/25/96/11/571259611.db2.gz YBMMTGPAAXNDSS-WBVHZDCISA-N 1 1 423.538 3.909 50 0 HHAAMO CCCCn1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2c1=O ZINC000010278484 571299217 /nfs/dbraw/zinc/29/92/17/571299217.db2.gz IVPFNWYJHHZHDW-HXUWFJFHSA-N 1 1 422.529 3.747 50 0 HHAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C3)s1 ZINC000011881521 962205972 /nfs/dbraw/zinc/20/59/72/962205972.db2.gz YDVFMXIQRPAVIG-WMZOPIPTSA-N 1 1 416.518 3.661 50 0 HHAAMO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C3)s1 ZINC000011881520 962206410 /nfs/dbraw/zinc/20/64/10/962206410.db2.gz YDVFMXIQRPAVIG-FUHWJXTLSA-N 1 1 416.518 3.661 50 0 HHAAMO CSc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934585 962210800 /nfs/dbraw/zinc/21/08/00/962210800.db2.gz JGLIOQGDZYNWDO-NRFANRHFSA-N 1 1 404.530 3.965 50 0 HHAAMO CSc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934585 962210818 /nfs/dbraw/zinc/21/08/18/962210818.db2.gz JGLIOQGDZYNWDO-NRFANRHFSA-N 1 1 404.530 3.965 50 0 HHAAMO CSc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934585 962210831 /nfs/dbraw/zinc/21/08/31/962210831.db2.gz JGLIOQGDZYNWDO-NRFANRHFSA-N 1 1 404.530 3.965 50 0 HHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCn1ccc(C)n1 ZINC000011997851 962221385 /nfs/dbraw/zinc/22/13/85/962221385.db2.gz ZFSORIYNMUYVHG-OAQYLSRUSA-N 1 1 400.542 3.524 50 0 HHAAMO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@H+](CCCn1cccn1)CC2 ZINC000011998592 962221940 /nfs/dbraw/zinc/22/19/40/962221940.db2.gz GZOVJLNGGGJKPT-UHFFFAOYSA-N 1 1 418.541 3.911 50 0 HHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012029019 962224694 /nfs/dbraw/zinc/22/46/94/962224694.db2.gz VUJMDMBPORWEKL-FQEVSTJZSA-N 1 1 402.498 3.658 50 0 HHAAMO C[C@H](c1ccon1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012041235 962226582 /nfs/dbraw/zinc/22/65/82/962226582.db2.gz YOHOSSXKWIEJSP-HIFRSBDPSA-N 1 1 405.882 3.631 50 0 HHAAMO Cc1nc(CNCc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)cs1 ZINC000012076819 962234852 /nfs/dbraw/zinc/23/48/52/962234852.db2.gz XVCSOKPXMHVAGP-NRFANRHFSA-N 1 1 403.592 3.746 50 0 HHAAMO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)sc2ncnc(NCc3ccco3)c12 ZINC000012097216 962238164 /nfs/dbraw/zinc/23/81/64/962238164.db2.gz AUDCXPPTAAWESO-OAHLLOKOSA-N 1 1 413.547 3.619 50 0 HHAAMO CC(=O)N1CCC([N@H+]2CC[C@@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 ZINC000012111730 962242494 /nfs/dbraw/zinc/24/24/94/962242494.db2.gz LURXWXFOZBZPBZ-LJQANCHMSA-N 1 1 405.533 3.510 50 0 HHAAMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012190468 962251086 /nfs/dbraw/zinc/25/10/86/962251086.db2.gz NUOJNCXHHATDHU-AWEZNQCLSA-N 1 1 422.510 3.701 50 0 HHAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012190468 962251096 /nfs/dbraw/zinc/25/10/96/962251096.db2.gz NUOJNCXHHATDHU-AWEZNQCLSA-N 1 1 422.510 3.701 50 0 HHAAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(CC(C)C)cc1)CC2)C(C)C ZINC000012244612 962257738 /nfs/dbraw/zinc/25/77/38/962257738.db2.gz KOZVLWJFDAFVRL-QHCPKHFHSA-N 1 1 411.594 3.758 50 0 HHAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 ZINC000012244174 962257820 /nfs/dbraw/zinc/25/78/20/962257820.db2.gz JFXLYMAPSWZBQO-OAQYLSRUSA-N 1 1 406.530 3.794 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000012316957 962270771 /nfs/dbraw/zinc/27/07/71/962270771.db2.gz IMIHFYMDCXYEFP-IBGZPJMESA-N 1 1 420.557 3.527 50 0 HHAAMO Cc1cc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@@H+]24)cc(C)c1O ZINC000012372830 962273509 /nfs/dbraw/zinc/27/35/09/962273509.db2.gz BBCCJVHLTGSGHW-KJOQGJGQSA-N 1 1 402.538 3.914 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 ZINC000012433976 962278388 /nfs/dbraw/zinc/27/83/88/962278388.db2.gz VHPVLUDDAXPWNQ-IBGZPJMESA-N 1 1 408.477 3.619 50 0 HHAAMO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(Cc3ccsc3)CC2)c(Cl)c1 ZINC000012589829 962297746 /nfs/dbraw/zinc/29/77/46/962297746.db2.gz QRAVEYWCMVMLEJ-UHFFFAOYSA-N 1 1 421.994 3.736 50 0 HHAAMO Cn1cc(C[N@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 ZINC000012711240 962315311 /nfs/dbraw/zinc/31/53/11/962315311.db2.gz AMNYHIHGDBCMRK-QHCPKHFHSA-N 1 1 416.525 3.763 50 0 HHAAMO O[C@H](COc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2)CN1CCSCC1 ZINC000012705403 962315444 /nfs/dbraw/zinc/31/54/44/962315444.db2.gz CCUVHGMOYRDOLW-GAWOJFTKSA-N 1 1 416.631 3.534 50 0 HHAAMO CC(C)CN1C[C@H](OCc2ccccc2)C[N@H+](Cc2cccc3nccnc23)CC1=O ZINC000014745231 962568157 /nfs/dbraw/zinc/56/81/57/962568157.db2.gz DGTYNKJIHHYFGW-JOCHJYFZSA-N 1 1 418.541 3.515 50 0 HHAAMO CC(C)CN1C[C@H](OCc2ccccc2)C[N@@H+](Cc2cccc3nccnc23)CC1=O ZINC000014745231 962568165 /nfs/dbraw/zinc/56/81/65/962568165.db2.gz DGTYNKJIHHYFGW-JOCHJYFZSA-N 1 1 418.541 3.515 50 0 HHAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000015065414 962645547 /nfs/dbraw/zinc/64/55/47/962645547.db2.gz DRYXOFIRMYEDQU-KRWDZBQOSA-N 1 1 420.542 3.741 50 0 HHAAMO COc1cccc(C(=O)N2CCC3(CC2)C[C@H]([N@@H+](C)Cc2ccccc2)CCO3)c1 ZINC000169773928 970477382 /nfs/dbraw/zinc/47/73/82/970477382.db2.gz ICQLMISCAYIDQH-JOCHJYFZSA-N 1 1 408.542 3.981 50 0 HHAAMO O=C(C1CCOCC1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779209 970479855 /nfs/dbraw/zinc/47/98/55/970479855.db2.gz NCBLUFGGQRHQFH-QHCPKHFHSA-N 1 1 412.574 3.618 50 0 HHAAMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2nc(CCOCC3CCOCC3)no2)C1 ZINC000257189605 970623907 /nfs/dbraw/zinc/62/39/07/970623907.db2.gz JCZYWFXEGMCFJG-GOSISDBHSA-N 1 1 405.564 3.805 50 0 HHAAMO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23)N1CCCC1 ZINC000257194929 970625940 /nfs/dbraw/zinc/62/59/40/970625940.db2.gz UZFDVMOTXNMASC-KBOSCXGNSA-N 1 1 423.601 3.794 50 0 HHAAMO COCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2Cl)CC12CCCCC2 ZINC000409420387 972891196 /nfs/dbraw/zinc/89/11/96/972891196.db2.gz MFHTUOOANRALGY-QGZVFWFLSA-N 1 1 424.969 3.502 50 0 HHAAMO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c32)C1 ZINC000002837797 132258350 /nfs/dbraw/zinc/25/83/50/132258350.db2.gz FSSDUVYEUJGRMY-OAHLLOKOSA-N 1 1 422.554 3.867 50 0 HHAAMO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@@H+](C)Cc1ccccc1)C[C@@H](C)O2 ZINC000006798011 132317152 /nfs/dbraw/zinc/31/71/52/132317152.db2.gz JBPKQLDCIMJVQF-HXUWFJFHSA-N 1 1 423.557 3.527 50 0 HHAAMO C[N@H+](Cc1ccccc1N1CCOCC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014083110 132459816 /nfs/dbraw/zinc/45/98/16/132459816.db2.gz FAKIDXVVHIIVFK-XMMPIXPASA-N 1 1 407.558 3.709 50 0 HHAAMO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000014083110 132459817 /nfs/dbraw/zinc/45/98/17/132459817.db2.gz FAKIDXVVHIIVFK-XMMPIXPASA-N 1 1 407.558 3.709 50 0 HHAAMO CC(=O)N[C@H](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1ccc(Cl)cc1 ZINC000032736314 519695031 /nfs/dbraw/zinc/69/50/31/519695031.db2.gz WHKWUKIQMCHUFO-JOCHJYFZSA-N 1 1 413.949 3.560 50 0 HHAAMO CC(C)c1cccc(C(C)C)c1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000032870774 519841023 /nfs/dbraw/zinc/84/10/23/519841023.db2.gz BIYPSIHBFAGWQS-OAQYLSRUSA-N 1 1 415.578 3.585 50 0 HHAAMO CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000032930757 520941911 /nfs/dbraw/zinc/94/19/11/520941911.db2.gz QFXCTELSOMCKJL-RXVVDRJESA-N 1 1 401.551 3.546 50 0 HHAAMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000020597971 521663883 /nfs/dbraw/zinc/66/38/83/521663883.db2.gz JKHMMABJHRZREP-UHFFFAOYSA-N 1 1 420.557 3.768 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2)C[C@@H](C)O1 ZINC000032824896 524991852 /nfs/dbraw/zinc/99/18/52/524991852.db2.gz VGDGFIAODXQEMU-QZTJIDSGSA-N 1 1 406.530 3.535 50 0 HHAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc12 ZINC000020583792 525685211 /nfs/dbraw/zinc/68/52/11/525685211.db2.gz BRKYBGNMHLZFKM-UHFFFAOYSA-N 1 1 405.542 3.759 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040355990 526248692 /nfs/dbraw/zinc/24/86/92/526248692.db2.gz IBIKYIDMPYPBRV-AWEZNQCLSA-N 1 1 404.511 3.529 50 0 HHAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccccc1I ZINC000000641639 557032912 /nfs/dbraw/zinc/03/29/12/557032912.db2.gz AZLNEGKRNAPIKU-CQSZACIVSA-N 1 1 409.267 3.969 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740505 557443864 /nfs/dbraw/zinc/44/38/64/557443864.db2.gz QHTQETRUAUTZJL-DENIHFKCSA-N 1 1 401.526 3.500 50 0 HHAAMO COCC(=O)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(C)C ZINC000034740915 557444423 /nfs/dbraw/zinc/44/44/23/557444423.db2.gz IQMZANICZKCOLZ-RXVVDRJESA-N 1 1 416.587 3.856 50 0 HHAAMO COc1ccc(CCC2CC[NH+]([C@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)cc1 ZINC000004738640 557589774 /nfs/dbraw/zinc/58/97/74/557589774.db2.gz KMZSTRXUGYKRTG-QFIPXVFZSA-N 1 1 410.489 3.811 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022908202 557857240 /nfs/dbraw/zinc/85/72/40/557857240.db2.gz QHEPQBJIYVSDPR-HXUWFJFHSA-N 1 1 405.523 3.602 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022908202 557857242 /nfs/dbraw/zinc/85/72/42/557857242.db2.gz QHEPQBJIYVSDPR-HXUWFJFHSA-N 1 1 405.523 3.602 50 0 HHAAMO O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011769977 558274312 /nfs/dbraw/zinc/27/43/12/558274312.db2.gz QMSWPEWXAGOUQK-QFIPXVFZSA-N 1 1 418.541 3.883 50 0 HHAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000019761012 558276338 /nfs/dbraw/zinc/27/63/38/558276338.db2.gz ZYKLLJCRICFUPB-LJQANCHMSA-N 1 1 401.551 3.876 50 0 HHAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000019761012 558276340 /nfs/dbraw/zinc/27/63/40/558276340.db2.gz ZYKLLJCRICFUPB-LJQANCHMSA-N 1 1 401.551 3.876 50 0 HHAAMO COc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1OC ZINC000019781981 558281389 /nfs/dbraw/zinc/28/13/89/558281389.db2.gz BINPHZYELMAGOC-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO Cc1c(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792881 558283782 /nfs/dbraw/zinc/28/37/82/558283782.db2.gz ROGAGCPNPOPAMI-QHCPKHFHSA-N 1 1 404.558 3.581 50 0 HHAAMO Cc1c(C[N@H+]2CCC[C@H](N(C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792881 558283785 /nfs/dbraw/zinc/28/37/85/558283785.db2.gz ROGAGCPNPOPAMI-QHCPKHFHSA-N 1 1 404.558 3.581 50 0 HHAAMO Cc1c(C[N@@H+]2CCC[C@H](N(C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792881 558283789 /nfs/dbraw/zinc/28/37/89/558283789.db2.gz ROGAGCPNPOPAMI-QHCPKHFHSA-N 1 1 404.558 3.581 50 0 HHAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c(C(C)(C)C)c1 ZINC000019809653 558286468 /nfs/dbraw/zinc/28/64/68/558286468.db2.gz GEEIUTXSSZILIP-GOSISDBHSA-N 1 1 416.537 3.694 50 0 HHAAMO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCc3cnc[nH]3)cc2Cl)CC1 ZINC000011935599 558299708 /nfs/dbraw/zinc/29/97/08/558299708.db2.gz UTXNKTUMKTVPLH-UHFFFAOYSA-N 1 1 418.969 3.925 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000019881353 558300994 /nfs/dbraw/zinc/30/09/94/558300994.db2.gz FTUCIZNIMGFHOE-KMYAOZERSA-N 1 1 403.526 3.905 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)c(OC)c1 ZINC000011945461 558302149 /nfs/dbraw/zinc/30/21/49/558302149.db2.gz FPZJASYHJIQREP-INIZCTEOSA-N 1 1 413.470 3.536 50 0 HHAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)c(OC)c1 ZINC000011945461 558302152 /nfs/dbraw/zinc/30/21/52/558302152.db2.gz FPZJASYHJIQREP-INIZCTEOSA-N 1 1 413.470 3.536 50 0 HHAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011957631 558303741 /nfs/dbraw/zinc/30/37/41/558303741.db2.gz AGFAQAJHGMIHIO-QFIPXVFZSA-N 1 1 419.953 3.996 50 0 HHAAMO Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CC[NH+]3CCOCC3)CC2=O)c1 ZINC000019939652 558313714 /nfs/dbraw/zinc/31/37/14/558313714.db2.gz WPDYSGTYURORFH-HXUWFJFHSA-N 1 1 418.541 3.506 50 0 HHAAMO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012098687 558325233 /nfs/dbraw/zinc/32/52/33/558325233.db2.gz ZBPXDNJXLPENPB-LJQANCHMSA-N 1 1 417.557 3.837 50 0 HHAAMO Cc1c(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020166096 558342972 /nfs/dbraw/zinc/34/29/72/558342972.db2.gz NSFZYIILAWDYSK-DEOSSOPVSA-N 1 1 418.585 3.623 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020211909 558347912 /nfs/dbraw/zinc/34/79/12/558347912.db2.gz VOQMCADNYYLODA-HXUWFJFHSA-N 1 1 413.587 3.746 50 0 HHAAMO Cc1nnsc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012197404 558350263 /nfs/dbraw/zinc/35/02/63/558350263.db2.gz RYZJNUUULPNGPW-LJQANCHMSA-N 1 1 413.591 3.929 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1 ZINC000020248940 558351635 /nfs/dbraw/zinc/35/16/35/558351635.db2.gz LHBGMZSJMNEWCJ-LJQANCHMSA-N 1 1 421.522 3.816 50 0 HHAAMO O=C(CC[C@H]1CCCN(C(=O)C2=CCCCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020255368 558351848 /nfs/dbraw/zinc/35/18/48/558351848.db2.gz CDVMGQXEKSYBNR-HSZRJFAPSA-N 1 1 423.601 3.850 50 0 HHAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000012208407 558353602 /nfs/dbraw/zinc/35/36/02/558353602.db2.gz MQUUWJRPYBOREI-GOSISDBHSA-N 1 1 405.502 3.941 50 0 HHAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000012208407 558353604 /nfs/dbraw/zinc/35/36/04/558353604.db2.gz MQUUWJRPYBOREI-GOSISDBHSA-N 1 1 405.502 3.941 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012210083 558353793 /nfs/dbraw/zinc/35/37/93/558353793.db2.gz LKILXATTWHWHQB-RUZDIDTESA-N 1 1 411.542 3.754 50 0 HHAAMO Cc1cc(=O)oc(C)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020436599 558363237 /nfs/dbraw/zinc/36/32/37/558363237.db2.gz DXUNSUGICKLXQO-UHFFFAOYSA-N 1 1 402.494 3.804 50 0 HHAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012300115 558370070 /nfs/dbraw/zinc/37/00/70/558370070.db2.gz PIAMOPCERBPAIQ-CQSZACIVSA-N 1 1 424.492 3.859 50 0 HHAAMO CSc1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012300115 558370071 /nfs/dbraw/zinc/37/00/71/558370071.db2.gz PIAMOPCERBPAIQ-CQSZACIVSA-N 1 1 424.492 3.859 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000012432867 558407013 /nfs/dbraw/zinc/40/70/13/558407013.db2.gz ANQKKYALLDXINW-QHCPKHFHSA-N 1 1 408.542 3.824 50 0 HHAAMO COc1ccc(CC[NH+]2CCC(CN(C)Cc3nc4ccccc4n3C)CC2)cc1 ZINC000012433397 558407295 /nfs/dbraw/zinc/40/72/95/558407295.db2.gz NFXIBOXKWOEDGZ-UHFFFAOYSA-N 1 1 406.574 3.968 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc(F)cc2F)CCO3)C[C@H](C)O1 ZINC000020774939 558411780 /nfs/dbraw/zinc/41/17/80/558411780.db2.gz OKFJHIGXRVGMLH-IYBDPMFKSA-N 1 1 416.468 3.609 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc(F)cc2F)CCO3)C[C@H](C)O1 ZINC000020774939 558411782 /nfs/dbraw/zinc/41/17/82/558411782.db2.gz OKFJHIGXRVGMLH-IYBDPMFKSA-N 1 1 416.468 3.609 50 0 HHAAMO CC[NH+]1CCN(C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 ZINC000020782998 558413043 /nfs/dbraw/zinc/41/30/43/558413043.db2.gz CHGKDFGMJBPNMR-OAQYLSRUSA-N 1 1 420.601 3.784 50 0 HHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012446511 558414287 /nfs/dbraw/zinc/41/42/87/558414287.db2.gz WHTMGJUVXFJUEF-KRWDZBQOSA-N 1 1 400.486 3.599 50 0 HHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000012446511 558414292 /nfs/dbraw/zinc/41/42/92/558414292.db2.gz WHTMGJUVXFJUEF-KRWDZBQOSA-N 1 1 400.486 3.599 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@@H]2CCO)o1 ZINC000020908962 558421694 /nfs/dbraw/zinc/42/16/94/558421694.db2.gz IDWBYHULMNZFKB-FQEVSTJZSA-N 1 1 410.562 3.663 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@@H]2CCO)o1 ZINC000020908962 558421697 /nfs/dbraw/zinc/42/16/97/558421697.db2.gz IDWBYHULMNZFKB-FQEVSTJZSA-N 1 1 410.562 3.663 50 0 HHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000012595124 558437390 /nfs/dbraw/zinc/43/73/90/558437390.db2.gz AVIXWNUGZDCXHI-INIZCTEOSA-N 1 1 410.468 3.823 50 0 HHAAMO O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012703562 558448624 /nfs/dbraw/zinc/44/86/24/558448624.db2.gz FVGSSLVJVXIXMA-VWLOTQADSA-N 1 1 406.526 3.976 50 0 HHAAMO O=C1NCCN1c1ccc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012762811 558461367 /nfs/dbraw/zinc/46/13/67/558461367.db2.gz UTOBZSYFHQKVIW-VWLOTQADSA-N 1 1 407.558 3.814 50 0 HHAAMO COc1cc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc(OC)c1OC ZINC000012790166 558464891 /nfs/dbraw/zinc/46/48/91/558464891.db2.gz SKJSOODHJJNBEF-OKILXGFUSA-N 1 1 419.547 3.899 50 0 HHAAMO COc1cc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc(OC)c1OC ZINC000012790166 558464893 /nfs/dbraw/zinc/46/48/93/558464893.db2.gz SKJSOODHJJNBEF-OKILXGFUSA-N 1 1 419.547 3.899 50 0 HHAAMO C[C@H]1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c2ccccc2S1 ZINC000012797003 558469529 /nfs/dbraw/zinc/46/95/29/558469529.db2.gz BQUACSIYTNFBEE-SFHVURJKSA-N 1 1 415.603 3.628 50 0 HHAAMO C[C@@H]1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c2ccccc2S1 ZINC000012797001 558469627 /nfs/dbraw/zinc/46/96/27/558469627.db2.gz BQUACSIYTNFBEE-GOSISDBHSA-N 1 1 415.603 3.628 50 0 HHAAMO Cc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C(C)C)cc1 ZINC000012798758 558470641 /nfs/dbraw/zinc/47/06/41/558470641.db2.gz RQOINYMQXDIQJV-SFTDATJTSA-N 1 1 415.965 3.822 50 0 HHAAMO CC(=O)NCc1ccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022294883 558477112 /nfs/dbraw/zinc/47/71/12/558477112.db2.gz HFLYRRWXKXWEAM-GJZGRUSLSA-N 1 1 400.548 3.509 50 0 HHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000012835388 558477827 /nfs/dbraw/zinc/47/78/27/558477827.db2.gz WMUZQIPZKREFMR-LJQANCHMSA-N 1 1 413.468 3.973 50 0 HHAAMO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[N@H+]5CCC[C@@H]5C4)cc3)sc2c1 ZINC000022752751 558507818 /nfs/dbraw/zinc/50/78/18/558507818.db2.gz PZSUYMXJTDFDJP-LJQANCHMSA-N 1 1 406.555 3.990 50 0 HHAAMO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000022932694 558524911 /nfs/dbraw/zinc/52/49/11/558524911.db2.gz VSPBXXAVMJANBD-DEOSSOPVSA-N 1 1 422.548 3.697 50 0 HHAAMO COc1ccc(C)cc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022932743 558525049 /nfs/dbraw/zinc/52/50/49/558525049.db2.gz VVCBZCAOKXRIKF-UHFFFAOYSA-N 1 1 409.555 3.975 50 0 HHAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 ZINC000023245204 558545651 /nfs/dbraw/zinc/54/56/51/558545651.db2.gz SZYCHXLARGUHRT-UHFFFAOYSA-N 1 1 419.319 3.511 50 0 HHAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 ZINC000023245204 558545654 /nfs/dbraw/zinc/54/56/54/558545654.db2.gz SZYCHXLARGUHRT-UHFFFAOYSA-N 1 1 419.319 3.511 50 0 HHAAMO COc1ccc(C)cc1C[NH+]1CCN(Cn2nc(-c3ccccc3)n(C)c2=S)CC1 ZINC000023257441 558546403 /nfs/dbraw/zinc/54/64/03/558546403.db2.gz CKDFVHBKUSCRAH-UHFFFAOYSA-N 1 1 423.586 3.710 50 0 HHAAMO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@H+]1CCCc1ccccc1 ZINC000023375270 558554796 /nfs/dbraw/zinc/55/47/96/558554796.db2.gz GWBFSEDNPRJLFB-XMMPIXPASA-N 1 1 404.558 3.578 50 0 HHAAMO COc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)cc1OC ZINC000013690766 558572776 /nfs/dbraw/zinc/57/27/76/558572776.db2.gz IRBNWECDWRPMMQ-UHFFFAOYSA-N 1 1 408.502 3.829 50 0 HHAAMO COc1ccc([C@@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)[NH+]2CCCC2)cc1 ZINC000023994204 558584003 /nfs/dbraw/zinc/58/40/03/558584003.db2.gz ZTDJXUQZJQSSHE-OAQYLSRUSA-N 1 1 402.560 3.736 50 0 HHAAMO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000024829725 558614477 /nfs/dbraw/zinc/61/44/77/558614477.db2.gz YUGGVEWXVWAKAK-HSZRJFAPSA-N 1 1 409.530 3.556 50 0 HHAAMO COc1cc(OC)c(OC)c2[nH]c(C(=O)N[C@@H]3CC[N@H+](C4CCCCCC4)C3)cc21 ZINC000072230573 558619076 /nfs/dbraw/zinc/61/90/76/558619076.db2.gz GZFKIXOJZQIDPW-OAHLLOKOSA-N 1 1 415.534 3.721 50 0 HHAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000059935894 558621959 /nfs/dbraw/zinc/62/19/59/558621959.db2.gz NWJZMTVECJHKKO-GOSISDBHSA-N 1 1 406.313 3.624 50 0 HHAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000059935894 558621962 /nfs/dbraw/zinc/62/19/62/558621962.db2.gz NWJZMTVECJHKKO-GOSISDBHSA-N 1 1 406.313 3.624 50 0 HHAAMO O=S(=O)(NC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC000025053664 558628991 /nfs/dbraw/zinc/62/89/91/558628991.db2.gz NAYMANLUGWQZQF-UHFFFAOYSA-N 1 1 414.449 3.528 50 0 HHAAMO O=C(CNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3)N1CCCC1 ZINC000014196599 558633479 /nfs/dbraw/zinc/63/34/79/558633479.db2.gz VTXAKOMGDNKAFZ-UHFFFAOYSA-N 1 1 413.591 3.590 50 0 HHAAMO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000025436501 558640865 /nfs/dbraw/zinc/64/08/65/558640865.db2.gz RDUQYTFKINYOAU-GOSISDBHSA-N 1 1 414.506 3.537 50 0 HHAAMO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)o2)cc1C ZINC000026067475 558654677 /nfs/dbraw/zinc/65/46/77/558654677.db2.gz FATPKIMMONFYHU-OAQYLSRUSA-N 1 1 413.562 3.754 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000026299711 558658603 /nfs/dbraw/zinc/65/86/03/558658603.db2.gz ZIXHHZJJVCNDCX-FDDCHVKYSA-N 1 1 403.530 3.796 50 0 HHAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cc2c1OCO2 ZINC000014947880 558679982 /nfs/dbraw/zinc/67/99/82/558679982.db2.gz FTFNEYVOYXDDAF-OAHLLOKOSA-N 1 1 401.434 3.667 50 0 HHAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cc2c1OCO2 ZINC000014947880 558679984 /nfs/dbraw/zinc/67/99/84/558679984.db2.gz FTFNEYVOYXDDAF-OAHLLOKOSA-N 1 1 401.434 3.667 50 0 HHAAMO COC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1 ZINC000014955617 558682278 /nfs/dbraw/zinc/68/22/78/558682278.db2.gz ZWSMVPUSGPFIBS-SFHVURJKSA-N 1 1 412.505 3.639 50 0 HHAAMO COc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000014956770 558682665 /nfs/dbraw/zinc/68/26/65/558682665.db2.gz FOMPIYRXAGQVCI-JOCHJYFZSA-N 1 1 408.542 3.824 50 0 HHAAMO O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000028036867 558689814 /nfs/dbraw/zinc/68/98/14/558689814.db2.gz ZQQPBXQHLFLZCT-UHFFFAOYSA-N 1 1 402.545 3.527 50 0 HHAAMO Cc1cnc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000014978804 558690401 /nfs/dbraw/zinc/69/04/01/558690401.db2.gz MNYMXSNDUNATRN-GOSISDBHSA-N 1 1 420.479 3.831 50 0 HHAAMO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc(=O)c2c1 ZINC000028289473 558696011 /nfs/dbraw/zinc/69/60/11/558696011.db2.gz MNSMTSCHRBICTF-OAQYLSRUSA-N 1 1 420.509 3.931 50 0 HHAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCCC2)cc1 ZINC000028290008 558696526 /nfs/dbraw/zinc/69/65/26/558696526.db2.gz LVOPCVTXLQBYJN-FQEVSTJZSA-N 1 1 420.509 3.985 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028293553 558698531 /nfs/dbraw/zinc/69/85/31/558698531.db2.gz DUUABTSIADMIET-NRFANRHFSA-N 1 1 401.595 3.527 50 0 HHAAMO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(Cl)cc12 ZINC000028349672 558699546 /nfs/dbraw/zinc/69/95/46/558699546.db2.gz KBNRRYTZJGLIKS-YJBOKZPZSA-N 1 1 418.921 3.514 50 0 HHAAMO CC[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(C)cc1 ZINC000015044231 558704313 /nfs/dbraw/zinc/70/43/13/558704313.db2.gz SUEXULUHWAHXBM-FQEVSTJZSA-N 1 1 409.530 3.619 50 0 HHAAMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015045539 558704346 /nfs/dbraw/zinc/70/43/46/558704346.db2.gz AJHKXUSTZSIEES-UHFFFAOYSA-N 1 1 412.877 3.946 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2cnc(N(C)C)s2)C1 ZINC000015064200 558706942 /nfs/dbraw/zinc/70/69/42/558706942.db2.gz NXCVHWBPSMKKNU-GOSISDBHSA-N 1 1 402.608 3.604 50 0 HHAAMO O=C(c1ccco1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015068112 558710667 /nfs/dbraw/zinc/71/06/67/558710667.db2.gz GKLWJSCNDPEDRS-GOSISDBHSA-N 1 1 407.436 3.725 50 0 HHAAMO CC[N@@H+](CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015068603 558711298 /nfs/dbraw/zinc/71/12/98/558711298.db2.gz JTXRVQCNLCXMGM-UHFFFAOYSA-N 1 1 415.497 3.987 50 0 HHAAMO COc1cc(C[C@H]2CC(C[NH2+]Cc3ccccc3Cl)=NO2)c(OC)c2c1OCO2 ZINC000015081415 558719112 /nfs/dbraw/zinc/71/91/12/558719112.db2.gz JVMJRTFRSXRUCN-INIZCTEOSA-N 1 1 418.877 3.563 50 0 HHAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000004556307 558725535 /nfs/dbraw/zinc/72/55/35/558725535.db2.gz RPMKWVKRDFMHHW-SFHVURJKSA-N 1 1 403.504 3.581 50 0 HHAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)c1 ZINC000015778828 558753072 /nfs/dbraw/zinc/75/30/72/558753072.db2.gz AVPKJTZWVJWJHD-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO COc1ccc(OC)c(C[N@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)c1 ZINC000015778828 558753074 /nfs/dbraw/zinc/75/30/74/558753074.db2.gz AVPKJTZWVJWJHD-UHFFFAOYSA-N 1 1 406.486 3.804 50 0 HHAAMO CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000033318539 558766321 /nfs/dbraw/zinc/76/63/21/558766321.db2.gz BZLHJMQGVJKFEB-UHFFFAOYSA-N 1 1 408.550 3.692 50 0 HHAAMO CN(Cc1ccccc1Cl)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000072309745 558773980 /nfs/dbraw/zinc/77/39/80/558773980.db2.gz ZYVPAJLTKFKFDH-UHFFFAOYSA-N 1 1 416.953 3.630 50 0 HHAAMO Cc1ccc(NCCCNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)[nH+]c1 ZINC000072312104 558799786 /nfs/dbraw/zinc/79/97/86/558799786.db2.gz ILTATIOTFAUBJO-DLBGWLJESA-N 1 1 424.589 3.516 50 0 HHAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](CCC(C)C)[C@H](CCO)C1 ZINC000038149276 558811034 /nfs/dbraw/zinc/81/10/34/558811034.db2.gz UGCGHCLEVHEWLA-JOCHJYFZSA-N 1 1 402.558 3.543 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000071799557 558813237 /nfs/dbraw/zinc/81/32/37/558813237.db2.gz MRSQTHCRUALEIS-UHFFFAOYSA-N 1 1 424.549 3.506 50 0 HHAAMO Cc1cc(C)n(-c2cccc(CN3CC[N@@H+](CCc4ccccc4)[C@H](CCO)C3)c2)n1 ZINC000039364236 558820386 /nfs/dbraw/zinc/82/03/86/558820386.db2.gz XYZFJEYWQBSSJM-AREMUKBSSA-N 1 1 418.585 3.600 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCN(CCc4ccccc4)[C@H](CCO)C3)c2)n1 ZINC000039364236 558820388 /nfs/dbraw/zinc/82/03/88/558820388.db2.gz XYZFJEYWQBSSJM-AREMUKBSSA-N 1 1 418.585 3.600 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCN(CCc4ccccc4)[C@H](CCO)C3)c2)n1 ZINC000039364236 558820389 /nfs/dbraw/zinc/82/03/89/558820389.db2.gz XYZFJEYWQBSSJM-AREMUKBSSA-N 1 1 418.585 3.600 50 0 HHAAMO COc1ccc(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)o1 ZINC000039510193 558821908 /nfs/dbraw/zinc/82/19/08/558821908.db2.gz SVGRRZDGKVYINZ-FQEVSTJZSA-N 1 1 417.594 3.871 50 0 HHAAMO COc1ccc(C(=O)N(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000039510193 558821910 /nfs/dbraw/zinc/82/19/10/558821910.db2.gz SVGRRZDGKVYINZ-FQEVSTJZSA-N 1 1 417.594 3.871 50 0 HHAAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300342 558866123 /nfs/dbraw/zinc/86/61/23/558866123.db2.gz BVCODQJLYMAJBK-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300342 558866125 /nfs/dbraw/zinc/86/61/25/558866125.db2.gz BVCODQJLYMAJBK-FQEVSTJZSA-N 1 1 413.537 3.630 50 0 HHAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1 ZINC000055134183 558873696 /nfs/dbraw/zinc/87/36/96/558873696.db2.gz RTFHRWIVSMUJEU-GOSISDBHSA-N 1 1 413.949 3.775 50 0 HHAAMO O=C(c1cccnc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055196158 558875627 /nfs/dbraw/zinc/87/56/27/558875627.db2.gz OJEDSTWMEGMDFZ-HXUWFJFHSA-N 1 1 418.463 3.527 50 0 HHAAMO O=C(c1ccccc1Cl)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055199252 558875762 /nfs/dbraw/zinc/87/57/62/558875762.db2.gz NOGCVBNSUSSHJF-QGZVFWFLSA-N 1 1 401.913 3.906 50 0 HHAAMO C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000055326978 558879372 /nfs/dbraw/zinc/87/93/72/558879372.db2.gz BATCCVLRBAYAMG-UHFFFAOYSA-N 1 1 405.542 3.561 50 0 HHAAMO c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2nnc3ccccn32)c1 ZINC000058138447 558901265 /nfs/dbraw/zinc/90/12/65/558901265.db2.gz VFLGCSXNQPGORH-UHFFFAOYSA-N 1 1 400.511 3.992 50 0 HHAAMO CC(=O)Nc1nc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cs1 ZINC000058143726 558901657 /nfs/dbraw/zinc/90/16/57/558901657.db2.gz KHDPZRYMRIPENL-GASCZTMLSA-N 1 1 400.548 3.509 50 0 HHAAMO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1F ZINC000058159590 558904668 /nfs/dbraw/zinc/90/46/68/558904668.db2.gz CJGZWDMMCRSFLE-GFCCVEGCSA-N 1 1 407.371 3.715 50 0 HHAAMO C[C@@H]1C[N@H+](CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000058227371 558913707 /nfs/dbraw/zinc/91/37/07/558913707.db2.gz CHICMEBTUXRVHK-GASCZTMLSA-N 1 1 414.377 3.753 50 0 HHAAMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)Nc1ccc(F)cc1F ZINC000058229766 558913924 /nfs/dbraw/zinc/91/39/24/558913924.db2.gz PSURXEYLVOZUGP-UHFFFAOYSA-N 1 1 400.429 3.896 50 0 HHAAMO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000072139277 558928975 /nfs/dbraw/zinc/92/89/75/558928975.db2.gz AILCXVASLPONMR-UHFFFAOYSA-N 1 1 414.941 3.701 50 0 HHAAMO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000019626761 558947293 /nfs/dbraw/zinc/94/72/93/558947293.db2.gz LHWYIJDQWAAMBY-UHFFFAOYSA-N 1 1 407.436 3.732 50 0 HHAAMO C[N@H+](Cc1ccsc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000067447106 558986578 /nfs/dbraw/zinc/98/65/78/558986578.db2.gz XULMGDZYWBLPJW-NRFANRHFSA-N 1 1 407.539 3.876 50 0 HHAAMO C[N@@H+](Cc1ccsc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000067447106 558986580 /nfs/dbraw/zinc/98/65/80/558986580.db2.gz XULMGDZYWBLPJW-NRFANRHFSA-N 1 1 407.539 3.876 50 0 HHAAMO Cc1[nH+]ccn1Cc1cccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000097046437 558988466 /nfs/dbraw/zinc/98/84/66/558988466.db2.gz JBRVVWGSQOUFTH-UHFFFAOYSA-N 1 1 409.433 3.737 50 0 HHAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)ncn1 ZINC000067621139 558989702 /nfs/dbraw/zinc/98/97/02/558989702.db2.gz LKBJMVGDGMVPOL-UHFFFAOYSA-N 1 1 424.508 3.600 50 0 HHAAMO Cc1cc(CN(C)C(=O)c2cc(C[NH+]3CCC(Cc4ccccc4)CC3)on2)on1 ZINC000067640927 558990650 /nfs/dbraw/zinc/99/06/50/558990650.db2.gz RYGPLCQHQVGLBH-UHFFFAOYSA-N 1 1 408.502 3.698 50 0 HHAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3cccs3)C2)c(OC)c1 ZINC000097105853 558994037 /nfs/dbraw/zinc/99/40/37/558994037.db2.gz YHKNOAXGZPVMHA-LJQANCHMSA-N 1 1 413.543 3.929 50 0 HHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N[C@H]2CCc3cccnc32)nc1 ZINC000067907966 558994527 /nfs/dbraw/zinc/99/45/27/558994527.db2.gz ZVKCRBSMFLFYBH-IBGZPJMESA-N 1 1 404.518 3.716 50 0 HHAAMO CCCN(C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 ZINC000082083824 559036665 /nfs/dbraw/zinc/03/66/65/559036665.db2.gz UMOOROUJGKDEKU-QFIPXVFZSA-N 1 1 412.622 3.939 50 0 HHAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCCC1 ZINC000082127220 559039870 /nfs/dbraw/zinc/03/98/70/559039870.db2.gz PAVSQWRGQBNVCP-HSZRJFAPSA-N 1 1 412.622 3.941 50 0 HHAAMO Cc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c(Cl)c1 ZINC000082230471 559042772 /nfs/dbraw/zinc/04/27/72/559042772.db2.gz SDHTUDWHUIJFQQ-UHFFFAOYSA-N 1 1 414.941 3.783 50 0 HHAAMO COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023224675 559062636 /nfs/dbraw/zinc/06/26/36/559062636.db2.gz LABZWWWMQLLZNQ-HUUCEWRRSA-N 1 1 402.516 3.640 50 0 HHAAMO O=C(c1ccc(F)cc1F)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095505303 559082976 /nfs/dbraw/zinc/08/29/76/559082976.db2.gz LUZVIQBUAMNRFG-ZLGUVYLKSA-N 1 1 404.407 3.945 50 0 HHAAMO O=C(CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccc2c(c1)OCO2 ZINC000096463893 559110513 /nfs/dbraw/zinc/11/05/13/559110513.db2.gz JDEFSHDRTXLRDO-UHFFFAOYSA-N 1 1 412.489 3.986 50 0 HHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000004879686 559196129 /nfs/dbraw/zinc/19/61/29/559196129.db2.gz CFLHPIIEIIYTCB-KRWDZBQOSA-N 1 1 402.535 3.580 50 0 HHAAMO CCOc1ccccc1C(=O)Nc1cccc(-c2ccc(N3CC[NH+](C)CC3)nn2)c1 ZINC000004939866 559212361 /nfs/dbraw/zinc/21/23/61/559212361.db2.gz VQDVXUDEXQYMMG-UHFFFAOYSA-N 1 1 417.513 3.546 50 0 HHAAMO Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1C ZINC000004939841 559212387 /nfs/dbraw/zinc/21/23/87/559212387.db2.gz QXNWIZVNRWQDCS-UHFFFAOYSA-N 1 1 401.514 3.765 50 0 HHAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H](CCSC)n1cccc1 ZINC000409413970 559250900 /nfs/dbraw/zinc/25/09/00/559250900.db2.gz HMPCLVYNJFZKMK-BHDDXSALSA-N 1 1 421.651 3.912 50 0 HHAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@@H+](CCOc1ccccc1)C2 ZINC000426538654 559274593 /nfs/dbraw/zinc/27/45/93/559274593.db2.gz ULHOSFHAYIAXFC-QHCPKHFHSA-N 1 1 400.469 3.858 50 0 HHAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000005164251 559275800 /nfs/dbraw/zinc/27/58/00/559275800.db2.gz ZVKBSENSURYYII-JRFVFWCSSA-N 1 1 400.563 3.812 50 0 HHAAMO COc1ccc(NC(=O)[C@@H](Sc2nc(N)cc(N)[nH+]2)c2ccccc2)cc1Cl ZINC000005229217 560546462 /nfs/dbraw/zinc/54/64/62/560546462.db2.gz DUMFYVVEGDNIRT-KRWDZBQOSA-N 1 1 415.906 3.775 50 0 HHAAMO CCOc1ccccc1C(=O)Nc1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1 ZINC000005259441 560551044 /nfs/dbraw/zinc/55/10/44/560551044.db2.gz HIVBKDWAQIIFPC-UHFFFAOYSA-N 1 1 417.513 3.546 50 0 HHAAMO CC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1 ZINC000062007124 560566342 /nfs/dbraw/zinc/56/63/42/560566342.db2.gz FWRKOUFFVTUWQP-UHFFFAOYSA-N 1 1 422.916 3.580 50 0 HHAAMO CC(C)C[C@@H]([NH3+])C(=O)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000005384328 560575655 /nfs/dbraw/zinc/57/56/55/560575655.db2.gz PDDMVZNOKJCUEC-GOSISDBHSA-N 1 1 409.438 3.510 50 0 biogenic HHAAMO CCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)cc1 ZINC000017307345 560707602 /nfs/dbraw/zinc/70/76/02/560707602.db2.gz NBSFMRWTKFXTQT-UHFFFAOYSA-N 1 1 417.513 3.890 50 0 HHAAMO Cc1noc(COc2ccccc2OC[C@@H](O)C[N@@H+](Cc2ccccc2)C(C)C)n1 ZINC000003154776 560750065 /nfs/dbraw/zinc/75/00/65/560750065.db2.gz GYHQROWBQCPTKR-FQEVSTJZSA-N 1 1 411.502 3.607 50 0 HHAAMO CCN1C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000104805908 560855247 /nfs/dbraw/zinc/85/52/47/560855247.db2.gz SCBLXGYUBWEXPT-QAPCUYQASA-N 1 1 419.472 3.834 50 0 HHAAMO CCN1C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)Oc2ccccc21 ZINC000104805908 560855248 /nfs/dbraw/zinc/85/52/48/560855248.db2.gz SCBLXGYUBWEXPT-QAPCUYQASA-N 1 1 419.472 3.834 50 0 HHAAMO Cc1ccc(CNCc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)o1 ZINC000012053881 560887938 /nfs/dbraw/zinc/88/79/38/560887938.db2.gz CKSMJQIBTQQFHG-QHCPKHFHSA-N 1 1 406.526 3.676 50 0 HHAAMO Cc1ccc(CNCc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)o1 ZINC000012053881 560887939 /nfs/dbraw/zinc/88/79/39/560887939.db2.gz CKSMJQIBTQQFHG-QHCPKHFHSA-N 1 1 406.526 3.676 50 0 HHAAMO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022908156 568416345 /nfs/dbraw/zinc/41/63/45/568416345.db2.gz WKYMLEXPGUVEOK-NRFANRHFSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022908156 568416346 /nfs/dbraw/zinc/41/63/46/568416346.db2.gz WKYMLEXPGUVEOK-NRFANRHFSA-N 1 1 419.550 3.911 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H]1CCOc2ccccc21 ZINC000048325508 568438653 /nfs/dbraw/zinc/43/86/53/568438653.db2.gz PFMVLVPFXJNEQA-VQTJNVASSA-N 1 1 408.498 3.625 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N[C@H]1CCOc2ccccc21 ZINC000048325508 568438654 /nfs/dbraw/zinc/43/86/54/568438654.db2.gz PFMVLVPFXJNEQA-VQTJNVASSA-N 1 1 408.498 3.625 50 0 HHAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(I)c2)C1 ZINC000048313419 568439162 /nfs/dbraw/zinc/43/91/62/568439162.db2.gz CAMRPBCXZPQFOW-AWEZNQCLSA-N 1 1 400.304 3.533 50 0 HHAAMO CCC[N@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 ZINC000049400697 568447703 /nfs/dbraw/zinc/44/77/03/568447703.db2.gz OGPUOZVVHWVIDK-UHFFFAOYSA-N 1 1 416.525 3.626 50 0 HHAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)C1 ZINC000024842608 568470701 /nfs/dbraw/zinc/47/07/01/568470701.db2.gz DLUPGZIKQDUUBE-KBPBESRZSA-N 1 1 420.966 3.643 50 0 HHAAMO C[C@@H](C(=O)NCCC1=CCCCC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095349093 568600463 /nfs/dbraw/zinc/60/04/63/568600463.db2.gz PZZDBGDZRCCEER-FQEVSTJZSA-N 1 1 406.574 3.748 50 0 HHAAMO C[C@H](C(=O)N1CCc2cc(Br)sc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000095446811 568612134 /nfs/dbraw/zinc/61/21/34/568612134.db2.gz MMWDPZXIHKGIRY-CYBMUJFWSA-N 1 1 405.361 3.842 50 0 HHAAMO C[C@H](C(=O)N1CCc2cc(Br)sc2C1)[N@H+]1CCc2ccccc2C1 ZINC000095446811 568612137 /nfs/dbraw/zinc/61/21/37/568612137.db2.gz MMWDPZXIHKGIRY-CYBMUJFWSA-N 1 1 405.361 3.842 50 0 HHAAMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)C2)CC1 ZINC000095454965 568616745 /nfs/dbraw/zinc/61/67/45/568616745.db2.gz PJLNSLAJSFHIIL-IBGZPJMESA-N 1 1 420.001 3.574 50 0 HHAAMO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000095462525 568621453 /nfs/dbraw/zinc/62/14/53/568621453.db2.gz ZQTPOMIIGLKRMX-CQSZACIVSA-N 1 1 413.407 3.718 50 0 HHAAMO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000020762158 568642624 /nfs/dbraw/zinc/64/26/24/568642624.db2.gz MWHAEIYCMQZNGZ-RXVVDRJESA-N 1 1 424.593 3.646 50 0 biogenic HHAAMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1NC(=O)C1=CSCCO1 ZINC000021019779 568658096 /nfs/dbraw/zinc/65/80/96/568658096.db2.gz NZNPYBIXDOHCND-KRWDZBQOSA-N 1 1 417.575 3.533 50 0 HHAAMO NC(=O)C1CC[NH+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000095949727 568667433 /nfs/dbraw/zinc/66/74/33/568667433.db2.gz UTYWEJCFQOQBQX-SFHVURJKSA-N 1 1 406.313 3.871 50 0 HHAAMO NC(=O)C1CC[NH+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000095949728 568667619 /nfs/dbraw/zinc/66/76/19/568667619.db2.gz UTYWEJCFQOQBQX-GOSISDBHSA-N 1 1 406.313 3.871 50 0 HHAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1 ZINC000096102426 568691439 /nfs/dbraw/zinc/69/14/39/568691439.db2.gz LLARBGZVTDZMAY-SEYXRHQNSA-N 1 1 419.569 3.707 50 0 HHAAMO Cc1nn2c(ncc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2C)c1-c1ccccc1 ZINC000021537992 568713029 /nfs/dbraw/zinc/71/30/29/568713029.db2.gz HYJQZVZHWJDNDV-QGZVFWFLSA-N 1 1 405.546 3.865 50 0 HHAAMO O=C(/C=C\c1ccc(Br)s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000096298032 568722776 /nfs/dbraw/zinc/72/27/76/568722776.db2.gz DIJMRTIXROJKRW-XQRVVYSFSA-N 1 1 411.390 3.972 50 0 HHAAMO COc1ccc(OC)c(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)c1 ZINC000096363800 568739585 /nfs/dbraw/zinc/73/95/85/568739585.db2.gz AADJDVTWSPTWGQ-UHFFFAOYSA-N 1 1 415.515 3.640 50 0 HHAAMO CC[C@H](C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1Cc2ccccc2C1=O ZINC000299754340 568782197 /nfs/dbraw/zinc/78/21/97/568782197.db2.gz BGJGYRYEEYYBGW-VOFXCDAESA-N 1 1 411.590 3.780 50 0 HHAAMO Cc1ccc([C@@H]([NH2+]CC(=O)NCC(=O)Nc2ccc(F)cc2)c2cccs2)cc1 ZINC000057471033 568839124 /nfs/dbraw/zinc/83/91/24/568839124.db2.gz ILKURFIBOGZCLP-JOCHJYFZSA-N 1 1 411.502 3.630 50 0 HHAAMO CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000012608928 568871567 /nfs/dbraw/zinc/87/15/67/568871567.db2.gz KDFGLBGOCAFFII-HSZRJFAPSA-N 1 1 409.530 3.764 50 0 HHAAMO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000299774290 568874621 /nfs/dbraw/zinc/87/46/21/568874621.db2.gz BOUJPUUIMYBWQU-KRWDZBQOSA-N 1 1 422.529 3.711 50 0 HHAAMO C[N@H+](CCc1ccccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000299785141 568875475 /nfs/dbraw/zinc/87/54/75/568875475.db2.gz JEUCXEPIUNTEFL-UHFFFAOYSA-N 1 1 422.548 3.696 50 0 HHAAMO C[N@@H+](CCc1ccccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000299785141 568875476 /nfs/dbraw/zinc/87/54/76/568875476.db2.gz JEUCXEPIUNTEFL-UHFFFAOYSA-N 1 1 422.548 3.696 50 0 HHAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000058021527 568878073 /nfs/dbraw/zinc/87/80/73/568878073.db2.gz SFJJYDIQPUWKAO-UHFFFAOYSA-N 1 1 421.314 3.532 50 0 HHAAMO O=S(=O)(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1C(F)(F)F ZINC000670443560 568902501 /nfs/dbraw/zinc/90/25/01/568902501.db2.gz JZJKMMJHAPCKEU-ZDUSSCGKSA-N 1 1 404.479 3.710 50 0 HHAAMO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1C(F)(F)F ZINC000670443560 568902507 /nfs/dbraw/zinc/90/25/07/568902507.db2.gz JZJKMMJHAPCKEU-ZDUSSCGKSA-N 1 1 404.479 3.710 50 0 HHAAMO O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000053064441 568927571 /nfs/dbraw/zinc/92/75/71/568927571.db2.gz JDMPDERDGMRNFC-UHFFFAOYSA-N 1 1 401.982 3.795 50 0 HHAAMO O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000084528914 568950315 /nfs/dbraw/zinc/95/03/15/568950315.db2.gz WVCGNJGBLYVSLC-VQTJNVASSA-N 1 1 413.359 3.940 50 0 HHAAMO Fc1ccc(C[N@H+]2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000012785853 568960043 /nfs/dbraw/zinc/96/00/43/568960043.db2.gz UMBVWJAYICTRRN-UHFFFAOYSA-N 1 1 402.477 3.667 50 0 HHAAMO Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000008133838 568976631 /nfs/dbraw/zinc/97/66/31/568976631.db2.gz OSMLZOTVJGXJJO-NRFANRHFSA-N 1 1 405.498 3.875 50 0 HHAAMO Cc1ccc(-c2noc([C@@H](C)NCc3ccccc3C[NH+]3CCOCC3)n2)cc1F ZINC000012811266 568985130 /nfs/dbraw/zinc/98/51/30/568985130.db2.gz UFSQYAZAJLREGI-QGZVFWFLSA-N 1 1 410.493 3.867 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)c1 ZINC000008318781 568990527 /nfs/dbraw/zinc/99/05/27/568990527.db2.gz XTOHIWUEFFAJHR-LJQANCHMSA-N 1 1 409.486 3.560 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)c1 ZINC000008318781 568990528 /nfs/dbraw/zinc/99/05/28/568990528.db2.gz XTOHIWUEFFAJHR-LJQANCHMSA-N 1 1 409.486 3.560 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)cc1 ZINC000104384300 569008539 /nfs/dbraw/zinc/00/85/39/569008539.db2.gz XOHCTIZHLXLAPZ-JOCHJYFZSA-N 1 1 424.976 3.903 50 0 HHAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012865549 569012148 /nfs/dbraw/zinc/01/21/48/569012148.db2.gz GATPCLBCTFRLKD-AUSIDOKSSA-N 1 1 411.521 3.990 50 0 HHAAMO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012909120 569021655 /nfs/dbraw/zinc/02/16/55/569021655.db2.gz JGDAULJDMJEFKS-GOSISDBHSA-N 1 1 422.525 3.572 50 0 HHAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013003193 569049315 /nfs/dbraw/zinc/04/93/15/569049315.db2.gz RRMVXYJMABPLNB-SFHVURJKSA-N 1 1 405.420 3.733 50 0 HHAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000013003193 569049316 /nfs/dbraw/zinc/04/93/16/569049316.db2.gz RRMVXYJMABPLNB-SFHVURJKSA-N 1 1 405.420 3.733 50 0 HHAAMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000239672630 569054444 /nfs/dbraw/zinc/05/44/44/569054444.db2.gz BUIGRYTWMJQJQY-BXWFABGCSA-N 1 1 418.559 3.531 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000241587825 569054788 /nfs/dbraw/zinc/05/47/88/569054788.db2.gz OXMJVAXFVCTJCV-LRPZHRECSA-N 1 1 409.618 3.914 50 0 HHAAMO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc2c(cc1Br)OCCO2 ZINC000054176342 569059997 /nfs/dbraw/zinc/05/99/97/569059997.db2.gz CLDNDKJMQBKDIQ-LBPRGKRZSA-N 1 1 406.276 3.842 50 0 HHAAMO COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@H+](C4CCCC4)C[C@H]23)c1 ZINC000035870718 569064053 /nfs/dbraw/zinc/06/40/53/569064053.db2.gz BNOFXMNAWAIVGP-ISKFKSNPSA-N 1 1 405.542 3.939 50 0 HHAAMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035876655 569064346 /nfs/dbraw/zinc/06/43/46/569064346.db2.gz AGLNKEZIHIEECV-PDIWNELESA-N 1 1 407.558 3.994 50 0 HHAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096038 569090093 /nfs/dbraw/zinc/09/00/93/569090093.db2.gz LZJPQKCSYHUARK-FQEVSTJZSA-N 1 1 419.493 3.549 50 0 HHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103946 569092391 /nfs/dbraw/zinc/09/23/91/569092391.db2.gz RDYXOTFASOXZCO-OAQYLSRUSA-N 1 1 413.514 3.739 50 0 HHAAMO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681568 569127595 /nfs/dbraw/zinc/12/75/95/569127595.db2.gz GJMMNJHLDBUAMN-ICSRJNTNSA-N 1 1 409.496 3.836 50 0 HHAAMO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)ccc21 ZINC000065026997 569155853 /nfs/dbraw/zinc/15/58/53/569155853.db2.gz OEYNHAXOTFKXNN-GOSISDBHSA-N 1 1 405.542 3.867 50 0 HHAAMO O=C(Nc1ccc2c(c1)OCCO2)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877332 569164031 /nfs/dbraw/zinc/16/40/31/569164031.db2.gz ZVGUZWRBRRJYNP-UHFFFAOYSA-N 1 1 407.514 3.760 50 0 HHAAMO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000036390481 569165628 /nfs/dbraw/zinc/16/56/28/569165628.db2.gz BXRYPLBFKUNBSK-CYFREDJKSA-N 1 1 407.558 3.802 50 0 HHAAMO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036392126 569167394 /nfs/dbraw/zinc/16/73/94/569167394.db2.gz OALJIVLWVZBTOD-UNMCSNQZSA-N 1 1 413.514 3.571 50 0 HHAAMO O=C(c1ccccc1Cl)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200188 569193732 /nfs/dbraw/zinc/19/37/32/569193732.db2.gz UCMOORDHOPGEMQ-UHFFFAOYSA-N 1 1 404.967 3.745 50 0 HHAAMO COc1cccc(CNC(=O)c2cc3c(n2C)CC[N@@H+](Cc2cccc(OC)c2)C3)c1 ZINC000065210995 569196241 /nfs/dbraw/zinc/19/62/41/569196241.db2.gz IQSDBGHUZPOHQD-UHFFFAOYSA-N 1 1 419.525 3.531 50 0 HHAAMO COc1cccc(CNC(=O)c2cc3c(n2C)CC[N@H+](Cc2cccc(OC)c2)C3)c1 ZINC000065210995 569196243 /nfs/dbraw/zinc/19/62/43/569196243.db2.gz IQSDBGHUZPOHQD-UHFFFAOYSA-N 1 1 419.525 3.531 50 0 HHAAMO COc1ccc(-c2cc3n(n2)CCC[N@H+](Cc2cccc(OC)c2OC)C3)cc1OC ZINC000065270392 569214011 /nfs/dbraw/zinc/21/40/11/569214011.db2.gz CWZHXMDCSGHBPN-UHFFFAOYSA-N 1 1 423.513 3.990 50 0 HHAAMO COc1ccc(-c2cc3n(n2)CCC[N@@H+](Cc2cccc(OC)c2OC)C3)cc1OC ZINC000065270392 569214013 /nfs/dbraw/zinc/21/40/13/569214013.db2.gz CWZHXMDCSGHBPN-UHFFFAOYSA-N 1 1 423.513 3.990 50 0 HHAAMO O=C(COc1ccc(Cl)cc1Cl)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036699995 569222435 /nfs/dbraw/zinc/22/24/35/569222435.db2.gz FZJDYNWGTDAVID-HXUWFJFHSA-N 1 1 423.340 3.952 50 0 HHAAMO O=C(COc1ccc(Cl)cc1Cl)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036699995 569222436 /nfs/dbraw/zinc/22/24/36/569222436.db2.gz FZJDYNWGTDAVID-HXUWFJFHSA-N 1 1 423.340 3.952 50 0 HHAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000007340797 569234635 /nfs/dbraw/zinc/23/46/35/569234635.db2.gz YOHNYZXWOKOPDJ-INIZCTEOSA-N 1 1 411.502 3.627 50 0 HHAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000007340797 569234637 /nfs/dbraw/zinc/23/46/37/569234637.db2.gz YOHNYZXWOKOPDJ-INIZCTEOSA-N 1 1 411.502 3.627 50 0 HHAAMO COc1ccccc1C(=O)N1CCN(c2nc(Nc3ccc(C)cc3)cc(C)[nH+]2)CC1 ZINC000017042653 569272368 /nfs/dbraw/zinc/27/23/68/569272368.db2.gz SBMOBYDDBOFDRE-UHFFFAOYSA-N 1 1 417.513 3.808 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007587833 569283595 /nfs/dbraw/zinc/28/35/95/569283595.db2.gz RUOAGGNHMSYGST-YOEHRIQHSA-N 1 1 407.440 3.879 50 0 HHAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819692 569320705 /nfs/dbraw/zinc/32/07/05/569320705.db2.gz CFMJRLRLXUTYIJ-HSZRJFAPSA-N 1 1 419.654 3.771 50 0 HHAAMO COCCn1cc(CCC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000253412369 569366562 /nfs/dbraw/zinc/36/65/62/569366562.db2.gz QTRDUETWKJKTES-JTHBVZDNSA-N 1 1 411.590 3.943 50 0 biogenic HHAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002454256 569409526 /nfs/dbraw/zinc/40/95/26/569409526.db2.gz GFFODZUIKWXLQE-GASCZTMLSA-N 1 1 401.507 3.660 50 0 HHAAMO COc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000079048582 569425267 /nfs/dbraw/zinc/42/52/67/569425267.db2.gz GWCIHZSRGXISRT-ZDUSSCGKSA-N 1 1 405.907 3.882 50 0 HHAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000079105555 569427693 /nfs/dbraw/zinc/42/76/93/569427693.db2.gz NHWANPQHUJQKNA-UHFFFAOYSA-N 1 1 400.548 3.601 50 0 HHAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777808 571118063 /nfs/dbraw/zinc/11/80/63/571118063.db2.gz ZKMAAHHVFDJQII-SCLBCKFNSA-N 1 1 418.400 3.689 50 0 HHAAMO COCC[NH+]1CCN([C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)CC1 ZINC000040019923 571139139 /nfs/dbraw/zinc/13/91/39/571139139.db2.gz NHSDAKGIWKKYLS-NRFANRHFSA-N 1 1 401.938 3.592 50 0 HHAAMO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1cc(F)ccc1F ZINC000008901168 571144663 /nfs/dbraw/zinc/14/46/63/571144663.db2.gz KHEAFSAKJGAGNA-KRWDZBQOSA-N 1 1 400.516 3.922 50 0 HHAAMO CCc1c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1ccc(C)cc1 ZINC000040069111 571149256 /nfs/dbraw/zinc/14/92/56/571149256.db2.gz BDTUVDZRDHHXBY-UHFFFAOYSA-N 1 1 418.541 3.505 50 0 HHAAMO CC[C@@](C)(CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000040117706 571174502 /nfs/dbraw/zinc/17/45/02/571174502.db2.gz ZBIOLXSQCHGHPQ-QFIPXVFZSA-N 1 1 401.576 3.587 50 0 HHAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000245236996 571219065 /nfs/dbraw/zinc/21/90/65/571219065.db2.gz ANQGDDDVWITBLK-BEFAXECRSA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245236996 571219067 /nfs/dbraw/zinc/21/90/67/571219067.db2.gz ANQGDDDVWITBLK-BEFAXECRSA-N 1 1 403.320 3.732 50 0 HHAAMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352133 571222908 /nfs/dbraw/zinc/22/29/08/571222908.db2.gz MXIACQKIYDHCLK-MAUKXSAKSA-N 1 1 402.336 3.934 50 0 HHAAMO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2cccc(F)c2)C3)c1C ZINC000069656418 571236966 /nfs/dbraw/zinc/23/69/66/571236966.db2.gz GWMBZVPGFRLXLJ-MRXNPFEDSA-N 1 1 421.520 3.801 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CCC[C@H]([N@@H+](C)Cc4ccccc4)C3)[nH]n2)cc1 ZINC000011664410 962158528 /nfs/dbraw/zinc/15/85/28/962158528.db2.gz YJRDDGGLZWNEDX-FQEVSTJZSA-N 1 1 404.514 3.822 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CCC[C@H]([N@H+](C)Cc4ccccc4)C3)n[nH]2)cc1 ZINC000011664410 962158535 /nfs/dbraw/zinc/15/85/35/962158535.db2.gz YJRDDGGLZWNEDX-FQEVSTJZSA-N 1 1 404.514 3.822 50 0 HHAAMO COc1ccc(-c2cc(C(=O)N3CCC[C@H]([N@@H+](C)Cc4ccccc4)C3)n[nH]2)cc1 ZINC000011664410 962158541 /nfs/dbraw/zinc/15/85/41/962158541.db2.gz YJRDDGGLZWNEDX-FQEVSTJZSA-N 1 1 404.514 3.822 50 0 HHAAMO CC(C)(CO)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000011818840 962197692 /nfs/dbraw/zinc/19/76/92/962197692.db2.gz CULLEFBPLKGCDO-GOSISDBHSA-N 1 1 406.530 3.899 50 0 HHAAMO COc1cccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)c1OC ZINC000011815585 962197736 /nfs/dbraw/zinc/19/77/36/962197736.db2.gz HXTSTXIRLUJHFJ-SFHVURJKSA-N 1 1 414.521 3.870 50 0 HHAAMO C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4cccc(C(F)(F)F)c4)N4CCC[C@@]34C2=O)CC1 ZINC000011954184 962215253 /nfs/dbraw/zinc/21/52/53/962215253.db2.gz PIHHXMUBGVMFQQ-CUWPLCDZSA-N 1 1 407.480 3.537 50 0 HHAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011957546 962216039 /nfs/dbraw/zinc/21/60/39/962216039.db2.gz FZJTVXAOSZNAMM-QHCPKHFHSA-N 1 1 410.606 3.949 50 0 HHAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@](CCc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000012001074 962221096 /nfs/dbraw/zinc/22/10/96/962221096.db2.gz FQEDZEOLDOHLJN-XMMPIXPASA-N 1 1 416.562 3.885 50 0 HHAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012029014 962224605 /nfs/dbraw/zinc/22/46/05/962224605.db2.gz VUJMDMBPORWEKL-HXUWFJFHSA-N 1 1 402.498 3.658 50 0 HHAAMO COc1cc(CNCc2ccc(C)o2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012049275 962228901 /nfs/dbraw/zinc/22/89/01/962228901.db2.gz HPXBJUYQVPSMBS-HXUWFJFHSA-N 1 1 402.535 3.502 50 0 HHAAMO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000012054827 962230104 /nfs/dbraw/zinc/23/01/04/962230104.db2.gz WFYLTHKFLRXRSB-QFIPXVFZSA-N 1 1 404.457 3.833 50 0 HHAAMO CCn1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3)c(C)n1 ZINC000012193957 962250724 /nfs/dbraw/zinc/25/07/24/962250724.db2.gz LJQTYFXQVVPKMW-XMMPIXPASA-N 1 1 412.578 3.717 50 0 HHAAMO CCn1cc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2OC)C3)c(C)n1 ZINC000012193957 962250734 /nfs/dbraw/zinc/25/07/34/962250734.db2.gz LJQTYFXQVVPKMW-XMMPIXPASA-N 1 1 412.578 3.717 50 0 HHAAMO CCn1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2OC)C3)c(C)n1 ZINC000012193957 962250748 /nfs/dbraw/zinc/25/07/48/962250748.db2.gz LJQTYFXQVVPKMW-XMMPIXPASA-N 1 1 412.578 3.717 50 0 HHAAMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012190467 962250960 /nfs/dbraw/zinc/25/09/60/962250960.db2.gz NUOJNCXHHATDHU-CQSZACIVSA-N 1 1 422.510 3.701 50 0 HHAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012190467 962250966 /nfs/dbraw/zinc/25/09/66/962250966.db2.gz NUOJNCXHHATDHU-CQSZACIVSA-N 1 1 422.510 3.701 50 0 HHAAMO CCc1nc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(OC)c2OC)C3)[nH]1 ZINC000012440644 962280862 /nfs/dbraw/zinc/28/08/62/962280862.db2.gz ABJDURDDKUAGKB-XMMPIXPASA-N 1 1 412.578 3.786 50 0 HHAAMO CCc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3)[nH]1 ZINC000012440644 962280872 /nfs/dbraw/zinc/28/08/72/962280872.db2.gz ABJDURDDKUAGKB-XMMPIXPASA-N 1 1 412.578 3.786 50 0 HHAAMO CCc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3)[nH]1 ZINC000012440644 962280886 /nfs/dbraw/zinc/28/08/86/962280886.db2.gz ABJDURDDKUAGKB-XMMPIXPASA-N 1 1 412.578 3.786 50 0 HHAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCC(=O)N(Cc3ccccc3F)CC2)cc1OC ZINC000014955484 962612532 /nfs/dbraw/zinc/61/25/32/962612532.db2.gz JFXOAQYMPNMJFX-FQEVSTJZSA-N 1 1 414.521 3.899 50 0 HHAAMO CN(C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)o1 ZINC000014956193 962612887 /nfs/dbraw/zinc/61/28/87/962612887.db2.gz AHAGAIAJXBNOIX-RUZDIDTESA-N 1 1 409.574 3.902 50 0 HHAAMO COc1ccccc1N1C[C@@H]2C[C@@H](c3cccn3-c3nccs3)[N@@H+]3CCC[C@@]23C1=O ZINC000015063883 962645124 /nfs/dbraw/zinc/64/51/24/962645124.db2.gz VWKSUZNIBQKACA-NVVBAYIOSA-N 1 1 420.538 3.885 50 0 HHAAMO COc1ccccc1N1C[C@@H]2C[C@@H](c3cccn3-c3nccs3)[N@H+]3CCC[C@@]23C1=O ZINC000015063883 962645131 /nfs/dbraw/zinc/64/51/31/962645131.db2.gz VWKSUZNIBQKACA-NVVBAYIOSA-N 1 1 420.538 3.885 50 0 HHAAMO CCn1nc(C)c(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020449930 963388859 /nfs/dbraw/zinc/38/88/59/963388859.db2.gz IHINCUYZCFOQIB-OAQYLSRUSA-N 1 1 414.594 3.676 50 0 HHAAMO COc1ccc(OC)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c1 ZINC000020999620 963410303 /nfs/dbraw/zinc/41/03/03/963410303.db2.gz DMWQTOFPDDILDK-HMHJJOSWSA-N 1 1 422.525 3.650 50 0 HHAAMO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912922 963738255 /nfs/dbraw/zinc/73/82/55/963738255.db2.gz VNEUDZZNNUUXDR-HXUWFJFHSA-N 1 1 411.550 3.617 50 0 HHAAMO Fc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912922 963738261 /nfs/dbraw/zinc/73/82/61/963738261.db2.gz VNEUDZZNNUUXDR-HXUWFJFHSA-N 1 1 411.550 3.617 50 0 HHAAMO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2c(C)nc3sccn23)CC1 ZINC000055199389 965781274 /nfs/dbraw/zinc/78/12/74/965781274.db2.gz PZLQTAKJACJXCW-KRWDZBQOSA-N 1 1 405.564 3.809 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](C2CSCCSC2)C1 ZINC000055271577 965800964 /nfs/dbraw/zinc/80/09/64/965800964.db2.gz RHDAHQGRKIMVQA-OAQYLSRUSA-N 1 1 409.617 3.732 50 0 HHAAMO Cn1cc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c(-c2ccccc2)n1 ZINC000039532074 966497327 /nfs/dbraw/zinc/49/73/27/966497327.db2.gz ILHKSUJDCQOOLT-NRFANRHFSA-N 1 1 404.514 3.935 50 0 HHAAMO Cc1cccc(-c2ncc(CN3CC[N@@H+](CC4CCCCC4)[C@H](CCO)C3)cn2)c1 ZINC000039532082 966497660 /nfs/dbraw/zinc/49/76/60/966497660.db2.gz QXTPQLJPPBBABF-XMMPIXPASA-N 1 1 408.590 3.901 50 0 HHAAMO Cn1cnnc1Sc1ccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000096794704 969051777 /nfs/dbraw/zinc/05/17/77/969051777.db2.gz NRQOPZXNHZMNBV-QGZVFWFLSA-N 1 1 415.538 3.795 50 0 HHAAMO CN(Cc1ccc(Sc2nncn2C)o1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000096794704 969051787 /nfs/dbraw/zinc/05/17/87/969051787.db2.gz NRQOPZXNHZMNBV-QGZVFWFLSA-N 1 1 415.538 3.795 50 0 HHAAMO CN(Cc1ccc(Sc2nncn2C)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000096794704 969051797 /nfs/dbraw/zinc/05/17/97/969051797.db2.gz NRQOPZXNHZMNBV-QGZVFWFLSA-N 1 1 415.538 3.795 50 0 HHAAMO CC[C@]1([NH+]2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)CCN(C(=O)C(C)C)C1 ZINC000106885384 969309261 /nfs/dbraw/zinc/30/92/61/969309261.db2.gz XJFNERFDTQHDME-QFIPXVFZSA-N 1 1 420.985 3.835 50 0 HHAAMO O=C(/C=C\c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000222285631 970101622 /nfs/dbraw/zinc/10/16/22/970101622.db2.gz IGRNSXPILTUZPA-FNUUXAGOSA-N 1 1 416.468 3.574 50 0 HHAAMO CCn1nccc1C(=O)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776629 970478127 /nfs/dbraw/zinc/47/81/27/970478127.db2.gz SHEOSRANCYTKFH-JOCHJYFZSA-N 1 1 422.573 3.721 50 0 HHAAMO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H]([N@@H+](Cc2ccccc2)C2CC2)CCO3)n1 ZINC000169776631 970478545 /nfs/dbraw/zinc/47/85/45/970478545.db2.gz ODUBXQNBKFWCOI-JOCHJYFZSA-N 1 1 422.573 3.721 50 0 HHAAMO O=C(C1CCOCC1)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779210 970479878 /nfs/dbraw/zinc/47/98/78/970479878.db2.gz NCBLUFGGQRHQFH-HSZRJFAPSA-N 1 1 412.574 3.618 50 0 HHAAMO COCCCNC(=O)N1CCC([N@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000169786995 970481575 /nfs/dbraw/zinc/48/15/75/970481575.db2.gz JCKZTJQAKPIWLE-NRFANRHFSA-N 1 1 400.567 3.599 50 0 HHAAMO O=C(NC[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC12CCOCC2)N1CCCC1 ZINC000257176138 970617718 /nfs/dbraw/zinc/61/77/18/970617718.db2.gz RWRWXZHVDDUFCW-QGZVFWFLSA-N 1 1 409.933 3.513 50 0 HHAAMO CN1CCCCC[C@H](O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000257180502 970618658 /nfs/dbraw/zinc/61/86/58/970618658.db2.gz DQDXZLKMLCYMOH-DEOSSOPVSA-N 1 1 407.558 3.688 50 0 HHAAMO Cc1nnc([C@H]2CC3(C[N@@H+]2Cc2ccccc2)CCN(C(=O)c2cccnc2)CC3)o1 ZINC000257181409 970619770 /nfs/dbraw/zinc/61/97/70/970619770.db2.gz FMZLSMQDLZUFRT-OAQYLSRUSA-N 1 1 417.513 3.643 50 0 HHAAMO Cc1nnc([C@H]2CC3(C[N@H+]2Cc2ccccc2)CCN(C(=O)c2cccnc2)CC3)o1 ZINC000257181409 970619774 /nfs/dbraw/zinc/61/97/74/970619774.db2.gz FMZLSMQDLZUFRT-OAQYLSRUSA-N 1 1 417.513 3.643 50 0 HHAAMO CCCN1CCN(C(=O)CC[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)CC1 ZINC000299771798 970722291 /nfs/dbraw/zinc/72/22/91/970722291.db2.gz UXGBKBVMEGVKNJ-XMMPIXPASA-N 1 1 407.558 3.567 50 0 HHAAMO CCCN1CCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)CC1 ZINC000299771798 970722297 /nfs/dbraw/zinc/72/22/97/970722297.db2.gz UXGBKBVMEGVKNJ-XMMPIXPASA-N 1 1 407.558 3.567 50 0 HHAAMO O=C(c1ccccn1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169748762 1075688544 /nfs/dbraw/zinc/68/85/44/1075688544.db2.gz BGDOAFUTRSDFKH-QFIPXVFZSA-N 1 1 405.542 3.900 50 0 HHAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 ZINC000004933440 132296475 /nfs/dbraw/zinc/29/64/75/132296475.db2.gz NSJXKSWKIWJZNN-UHFFFAOYSA-N 1 1 401.894 3.505 50 0 HHAAMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)cc1 ZINC000029699765 522003033 /nfs/dbraw/zinc/00/30/33/522003033.db2.gz MKDABAUQMVCFIY-UHFFFAOYSA-N 1 1 420.431 3.930 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(I)cc1)[C@@H]1CCc2ccccc21 ZINC000029482772 522506648 /nfs/dbraw/zinc/50/66/48/522506648.db2.gz GMETYCXIABXAKD-QGZVFWFLSA-N 1 1 406.267 3.849 50 0 HHAAMO COc1ccc(-c2cc3ccc(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)cc3oc2=O)cc1 ZINC000020588649 523119598 /nfs/dbraw/zinc/11/95/98/523119598.db2.gz KHQNIAKOOPMYBW-IRXDYDNUSA-N 1 1 409.482 3.957 50 0 HHAAMO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(c3c[nH]c4ccccc43)CC2)C1=O ZINC000032771749 524536349 /nfs/dbraw/zinc/53/63/49/524536349.db2.gz SLOATASJRWNQOC-OAQYLSRUSA-N 1 1 403.482 3.688 50 0 HHAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)Cn2cc[nH+]c2C)cc1OC ZINC000030696884 525240162 /nfs/dbraw/zinc/24/01/62/525240162.db2.gz GIQDRQNDVYMNIX-KRWDZBQOSA-N 1 1 410.499 3.648 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000032860131 526217694 /nfs/dbraw/zinc/21/76/94/526217694.db2.gz PTIYBOZXTMIMIB-CQSZACIVSA-N 1 1 405.420 3.901 50 0 HHAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000032860131 526217697 /nfs/dbraw/zinc/21/76/97/526217697.db2.gz PTIYBOZXTMIMIB-CQSZACIVSA-N 1 1 405.420 3.901 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000040355640 526249577 /nfs/dbraw/zinc/24/95/77/526249577.db2.gz MIYPSGTVRLEPST-ZDUSSCGKSA-N 1 1 422.501 3.668 50 0 HHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccccc1Cl ZINC000032930749 526251804 /nfs/dbraw/zinc/25/18/04/526251804.db2.gz WIWOWBWOIGCIAR-KRWDZBQOSA-N 1 1 413.949 3.761 50 0 HHAAMO O=C(NC1CC1)c1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000032853557 527494227 /nfs/dbraw/zinc/49/42/27/527494227.db2.gz UWWOSFCQAVQQCQ-UHFFFAOYSA-N 1 1 400.526 3.839 50 0 HHAAMO Cc1cccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4cccc(F)c4)co3)CC2)c1 ZINC000034678071 557365939 /nfs/dbraw/zinc/36/59/39/557365939.db2.gz LVBQSMGLCUMOBL-UHFFFAOYSA-N 1 1 408.477 3.692 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)[N@H+](Cc1ccccc1)CC2 ZINC000034855666 557476904 /nfs/dbraw/zinc/47/69/04/557476904.db2.gz RJHHMXMJEFZMJE-HXUWFJFHSA-N 1 1 411.546 3.901 50 0 HHAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)(C)C)[N@@H+](Cc1ccccc1)CC2 ZINC000034855666 557476906 /nfs/dbraw/zinc/47/69/06/557476906.db2.gz RJHHMXMJEFZMJE-HXUWFJFHSA-N 1 1 411.546 3.901 50 0 HHAAMO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908227 557857349 /nfs/dbraw/zinc/85/73/49/557857349.db2.gz RENLHDCHEPURAQ-OAQYLSRUSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908227 557857352 /nfs/dbraw/zinc/85/73/52/557857352.db2.gz RENLHDCHEPURAQ-OAQYLSRUSA-N 1 1 419.550 3.911 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011663393 558267017 /nfs/dbraw/zinc/26/70/17/558267017.db2.gz QIJPFQJNRMLCJF-SFHVURJKSA-N 1 1 416.485 3.568 50 0 HHAAMO Cn1cc(C[NH2+]CCSc2cn[nH]n2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000011664204 558267822 /nfs/dbraw/zinc/26/78/22/558267822.db2.gz UDCNLVGTEJNYDE-UHFFFAOYSA-N 1 1 406.515 3.879 50 0 HHAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000011719703 558271980 /nfs/dbraw/zinc/27/19/80/558271980.db2.gz RUNLLPALOFGWTQ-HXUWFJFHSA-N 1 1 413.537 3.548 50 0 HHAAMO COc1ccccc1-c1ncc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000019794924 558284376 /nfs/dbraw/zinc/28/43/76/558284376.db2.gz DDXALEVLCLWZBL-QFIPXVFZSA-N 1 1 414.553 3.874 50 0 HHAAMO COc1ccccc1-c1ncc(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000019794924 558284377 /nfs/dbraw/zinc/28/43/77/558284377.db2.gz DDXALEVLCLWZBL-QFIPXVFZSA-N 1 1 414.553 3.874 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC000019798623 558284742 /nfs/dbraw/zinc/28/47/42/558284742.db2.gz MORMPUYFYCRRMZ-NRFANRHFSA-N 1 1 404.480 3.887 50 0 HHAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC000019798623 558284744 /nfs/dbraw/zinc/28/47/44/558284744.db2.gz MORMPUYFYCRRMZ-NRFANRHFSA-N 1 1 404.480 3.887 50 0 HHAAMO CCn1ncc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C ZINC000011878311 558292728 /nfs/dbraw/zinc/29/27/28/558292728.db2.gz BMTZNCBUAYSUOA-GOSISDBHSA-N 1 1 414.550 3.860 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC ZINC000011879493 558294303 /nfs/dbraw/zinc/29/43/03/558294303.db2.gz LLGFYAVIOQSWRY-VWLOTQADSA-N 1 1 408.542 3.761 50 0 HHAAMO c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850327 558295454 /nfs/dbraw/zinc/29/54/54/558295454.db2.gz MEVNRZDQSGVIQU-XMMPIXPASA-N 1 1 401.558 3.659 50 0 HHAAMO c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850327 558295457 /nfs/dbraw/zinc/29/54/57/558295457.db2.gz MEVNRZDQSGVIQU-XMMPIXPASA-N 1 1 401.558 3.659 50 0 HHAAMO COC[C@@H]1CC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011935130 558299104 /nfs/dbraw/zinc/29/91/04/558299104.db2.gz QDFDPXFDEBKOFI-QGZVFWFLSA-N 1 1 418.969 3.862 50 0 HHAAMO COC[C@@H]1CC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)C1 ZINC000011935130 558299105 /nfs/dbraw/zinc/29/91/05/558299105.db2.gz QDFDPXFDEBKOFI-QGZVFWFLSA-N 1 1 418.969 3.862 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)c(OC)c1 ZINC000011945455 558302116 /nfs/dbraw/zinc/30/21/16/558302116.db2.gz FPZJASYHJIQREP-MRXNPFEDSA-N 1 1 413.470 3.536 50 0 HHAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)c(OC)c1 ZINC000011945455 558302119 /nfs/dbraw/zinc/30/21/19/558302119.db2.gz FPZJASYHJIQREP-MRXNPFEDSA-N 1 1 413.470 3.536 50 0 HHAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 ZINC000012004189 558308709 /nfs/dbraw/zinc/30/87/09/558308709.db2.gz JKWJECJZNUUZCQ-OAQYLSRUSA-N 1 1 410.533 3.741 50 0 HHAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000012050525 558313763 /nfs/dbraw/zinc/31/37/63/558313763.db2.gz CWYSCKONUFXJHW-OALUTQOASA-N 1 1 414.502 3.568 50 0 HHAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000012050525 558313765 /nfs/dbraw/zinc/31/37/65/558313765.db2.gz CWYSCKONUFXJHW-OALUTQOASA-N 1 1 414.502 3.568 50 0 HHAAMO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012058424 558316904 /nfs/dbraw/zinc/31/69/04/558316904.db2.gz XDBDLABDMNGQND-GOSISDBHSA-N 1 1 403.567 3.803 50 0 HHAAMO COC[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012074208 558318968 /nfs/dbraw/zinc/31/89/68/558318968.db2.gz NYLCWZPUVBALBO-LJQANCHMSA-N 1 1 405.498 3.795 50 0 HHAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012074079 558318975 /nfs/dbraw/zinc/31/89/75/558318975.db2.gz XUDIKEJMTAXSHT-NRFANRHFSA-N 1 1 402.498 3.926 50 0 HHAAMO Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)cc1 ZINC000012155566 558340091 /nfs/dbraw/zinc/34/00/91/558340091.db2.gz VPTDDOBAKURZHH-LJQANCHMSA-N 1 1 406.530 3.558 50 0 HHAAMO Cc1ccc(C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)cc1 ZINC000012155566 558340095 /nfs/dbraw/zinc/34/00/95/558340095.db2.gz VPTDDOBAKURZHH-LJQANCHMSA-N 1 1 406.530 3.558 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3nc(-c4ccc5c(c4)OCO5)no3)c2)n1 ZINC000012197504 558350223 /nfs/dbraw/zinc/35/02/23/558350223.db2.gz JXVMTMPOJDHRCH-UHFFFAOYSA-N 1 1 417.469 3.900 50 0 HHAAMO Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3nc(-c4ccc5c(c4)OCO5)no3)c2)n1 ZINC000012197504 558350226 /nfs/dbraw/zinc/35/02/26/558350226.db2.gz JXVMTMPOJDHRCH-UHFFFAOYSA-N 1 1 417.469 3.900 50 0 HHAAMO COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012224763 558356809 /nfs/dbraw/zinc/35/68/09/558356809.db2.gz BGTPLRYIDYHLEI-IBGZPJMESA-N 1 1 406.954 3.718 50 0 HHAAMO COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012224763 558356810 /nfs/dbraw/zinc/35/68/10/558356810.db2.gz BGTPLRYIDYHLEI-IBGZPJMESA-N 1 1 406.954 3.718 50 0 HHAAMO CCOC(=O)C1(CCOC)CC[NH+](Cc2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000012300022 558370112 /nfs/dbraw/zinc/37/01/12/558370112.db2.gz FRAXEDQCHOMICE-UHFFFAOYSA-N 1 1 405.926 3.708 50 0 HHAAMO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)[N@H+]3CCC[C@@]123 ZINC000012318218 558381428 /nfs/dbraw/zinc/38/14/28/558381428.db2.gz UDOVUVSNSCAONF-KJOQGJGQSA-N 1 1 412.537 3.853 50 0 HHAAMO COc1ccc(CCC(=O)N(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000012439069 558410596 /nfs/dbraw/zinc/41/05/96/558410596.db2.gz SLLDGWIEDGBANQ-JOCHJYFZSA-N 1 1 410.558 3.802 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012439989 558411432 /nfs/dbraw/zinc/41/14/32/558411432.db2.gz PZAXMNMVPWWFCV-MRXNPFEDSA-N 1 1 412.983 3.780 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012439989 558411434 /nfs/dbraw/zinc/41/14/34/558411434.db2.gz PZAXMNMVPWWFCV-MRXNPFEDSA-N 1 1 412.983 3.780 50 0 HHAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012443196 558412976 /nfs/dbraw/zinc/41/29/76/558412976.db2.gz UWTBLEWZRVVWBZ-SFHVURJKSA-N 1 1 412.505 3.624 50 0 HHAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000020945328 558424870 /nfs/dbraw/zinc/42/48/70/558424870.db2.gz CVLJZVDDMQCKPQ-IBGZPJMESA-N 1 1 419.905 3.899 50 0 HHAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012590574 558435517 /nfs/dbraw/zinc/43/55/17/558435517.db2.gz NNTAIFPQXMBXNX-OAHLLOKOSA-N 1 1 424.923 3.969 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012590918 558435733 /nfs/dbraw/zinc/43/57/33/558435733.db2.gz POZHMRNLSJOKCB-MRXNPFEDSA-N 1 1 413.470 3.536 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012590918 558435734 /nfs/dbraw/zinc/43/57/34/558435734.db2.gz POZHMRNLSJOKCB-MRXNPFEDSA-N 1 1 413.470 3.536 50 0 HHAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000021473063 558439271 /nfs/dbraw/zinc/43/92/71/558439271.db2.gz ZNLNFBWZXSAWHF-OAQYLSRUSA-N 1 1 409.530 3.512 50 0 HHAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000021473063 558439275 /nfs/dbraw/zinc/43/92/75/558439275.db2.gz ZNLNFBWZXSAWHF-OAQYLSRUSA-N 1 1 409.530 3.512 50 0 HHAAMO COCCN(Cc1cccc2c1OCO2)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012747809 558458631 /nfs/dbraw/zinc/45/86/31/558458631.db2.gz URWOTCHWTXYHFU-FQEVSTJZSA-N 1 1 422.569 3.743 50 0 HHAAMO CN(CCCC1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012748350 558458702 /nfs/dbraw/zinc/45/87/02/558458702.db2.gz AIDCLBUYYQXFAX-OAQYLSRUSA-N 1 1 403.611 3.528 50 0 HHAAMO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012751130 558459020 /nfs/dbraw/zinc/45/90/20/558459020.db2.gz HIDSCOUMHCWCJC-DEOSSOPVSA-N 1 1 402.542 3.711 50 0 HHAAMO COc1cc(OC)c(NC(=O)C[N@H+](C)CCOc2ccc(Cl)cc2)cc1Cl ZINC000022060451 558460540 /nfs/dbraw/zinc/46/05/40/558460540.db2.gz FLHCTXJVUFJGAJ-UHFFFAOYSA-N 1 1 413.301 3.960 50 0 HHAAMO COc1cc(OC)c(NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1Cl ZINC000022060451 558460542 /nfs/dbraw/zinc/46/05/42/558460542.db2.gz FLHCTXJVUFJGAJ-UHFFFAOYSA-N 1 1 413.301 3.960 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC ZINC000012759128 558460681 /nfs/dbraw/zinc/46/06/81/558460681.db2.gz MCTRUCPRTCZRJA-DEOSSOPVSA-N 1 1 409.530 3.536 50 0 HHAAMO O=C1NCCN1c1ccc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012762816 558461475 /nfs/dbraw/zinc/46/14/75/558461475.db2.gz UTOBZSYFHQKVIW-RUZDIDTESA-N 1 1 407.558 3.814 50 0 HHAAMO Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C(C)C)cc1 ZINC000012798754 558470624 /nfs/dbraw/zinc/47/06/24/558470624.db2.gz RQOINYMQXDIQJV-LEWJYISDSA-N 1 1 415.965 3.822 50 0 HHAAMO O=C(CC[NH+]1CCN(C(=O)c2ccccc2Cl)CC1)Nc1ccccc1Cl ZINC000012940418 558487140 /nfs/dbraw/zinc/48/71/40/558487140.db2.gz JDIBABKBHRQXBX-UHFFFAOYSA-N 1 1 406.313 3.780 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Br)c1 ZINC000012995247 558498357 /nfs/dbraw/zinc/49/83/57/558498357.db2.gz VPNICMCLKMAGRS-OAHLLOKOSA-N 1 1 416.319 3.738 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Br)c1 ZINC000012995247 558498361 /nfs/dbraw/zinc/49/83/61/558498361.db2.gz VPNICMCLKMAGRS-OAHLLOKOSA-N 1 1 416.319 3.738 50 0 HHAAMO CCC(CC)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)[NH+]1CCOCC1 ZINC000022755571 558508202 /nfs/dbraw/zinc/50/82/02/558508202.db2.gz CPGMPZDFFWWFAL-QHCPKHFHSA-N 1 1 410.562 3.617 50 0 HHAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000022776204 558509347 /nfs/dbraw/zinc/50/93/47/558509347.db2.gz YYQMNHKBWBUZMG-UHFFFAOYSA-N 1 1 406.574 3.823 50 0 HHAAMO C[C@@H](C(=O)Nc1ccccc1F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022793325 558512076 /nfs/dbraw/zinc/51/20/76/558512076.db2.gz NWUVANBHZWYTNL-INIZCTEOSA-N 1 1 405.901 3.503 50 0 HHAAMO Cc1ccccc1C[N@H+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO ZINC000022851146 558516929 /nfs/dbraw/zinc/51/69/29/558516929.db2.gz UWWONWUWIUKLFD-QHCPKHFHSA-N 1 1 408.521 3.593 50 0 HHAAMO CCCCn1c(CN(C)C[C@H]2CCCC[N@@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000022913213 558520236 /nfs/dbraw/zinc/52/02/36/558520236.db2.gz JXLUEARVJYDLME-LJQANCHMSA-N 1 1 424.655 3.706 50 0 HHAAMO CCCCn1c(CN(C)C[C@H]2CCCC[N@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000022913213 558520238 /nfs/dbraw/zinc/52/02/38/558520238.db2.gz JXLUEARVJYDLME-LJQANCHMSA-N 1 1 424.655 3.706 50 0 HHAAMO CCCCn1c(CN(C)C[C@@H]2CCCC[N@@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000022913208 558520366 /nfs/dbraw/zinc/52/03/66/558520366.db2.gz JXLUEARVJYDLME-IBGZPJMESA-N 1 1 424.655 3.706 50 0 HHAAMO CCCCn1c(CN(C)C[C@@H]2CCCC[N@H+]2C)cnc1S(=O)(=O)C1CCCCC1 ZINC000022913208 558520368 /nfs/dbraw/zinc/52/03/68/558520368.db2.gz JXLUEARVJYDLME-IBGZPJMESA-N 1 1 424.655 3.706 50 0 HHAAMO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1Cc1ccsc1 ZINC000022919386 558522221 /nfs/dbraw/zinc/52/22/21/558522221.db2.gz QCDPANCERHKOSZ-FQEVSTJZSA-N 1 1 404.963 3.746 50 0 HHAAMO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1Cc1ccsc1 ZINC000022919386 558522222 /nfs/dbraw/zinc/52/22/22/558522222.db2.gz QCDPANCERHKOSZ-FQEVSTJZSA-N 1 1 404.963 3.746 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)c(C)c1C ZINC000022919649 558522613 /nfs/dbraw/zinc/52/26/13/558522613.db2.gz FTVWJTNMODSIFY-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)c(C)c1C ZINC000022919649 558522616 /nfs/dbraw/zinc/52/26/16/558522616.db2.gz FTVWJTNMODSIFY-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc4cccnc43)C[C@@H]2CCO)c(C)c1C ZINC000022919649 558522620 /nfs/dbraw/zinc/52/26/20/558522620.db2.gz FTVWJTNMODSIFY-DEOSSOPVSA-N 1 1 419.569 3.929 50 0 HHAAMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccccc1Br ZINC000022930691 558524153 /nfs/dbraw/zinc/52/41/53/558524153.db2.gz OIEGFNBBNWFLMX-UHFFFAOYSA-N 1 1 402.336 3.596 50 0 HHAAMO Cc1csc2nc(CN3CC[NH+]([C@@H](C)c4ccccc4Cl)CC3)cc(=O)n12 ZINC000022935229 558526464 /nfs/dbraw/zinc/52/64/64/558526464.db2.gz UNOSABXZYXMEOY-HNNXBMFYSA-N 1 1 402.951 3.597 50 0 HHAAMO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013465156 558533317 /nfs/dbraw/zinc/53/33/17/558533317.db2.gz ZQGCLBJDEBVUTQ-INIZCTEOSA-N 1 1 421.925 3.651 50 0 HHAAMO COc1ccc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)cc1O ZINC000023358939 558551374 /nfs/dbraw/zinc/55/13/74/558551374.db2.gz XPGPAKLIAHRHIX-FQEVSTJZSA-N 1 1 414.546 3.557 50 0 HHAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3ccc(F)cc3OC)C2)cc1OC ZINC000023375310 558554970 /nfs/dbraw/zinc/55/49/70/558554970.db2.gz MXZHMJXBRQHIJN-NRFANRHFSA-N 1 1 416.537 3.990 50 0 HHAAMO O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000013644673 558556180 /nfs/dbraw/zinc/55/61/80/558556180.db2.gz RAPUXRKISQDNHN-INIZCTEOSA-N 1 1 416.312 3.623 50 0 HHAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023732579 558571841 /nfs/dbraw/zinc/57/18/41/558571841.db2.gz NHBJBKZKRJLECX-LJQANCHMSA-N 1 1 403.979 3.883 50 0 HHAAMO O=C(Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000014109988 558620799 /nfs/dbraw/zinc/62/07/99/558620799.db2.gz QYZBCQGIYJZGRZ-UHFFFAOYSA-N 1 1 405.523 3.958 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000059935897 558621948 /nfs/dbraw/zinc/62/19/48/558621948.db2.gz NWJZMTVECJHKKO-SFHVURJKSA-N 1 1 406.313 3.624 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000059935897 558621951 /nfs/dbraw/zinc/62/19/51/558621951.db2.gz NWJZMTVECJHKKO-SFHVURJKSA-N 1 1 406.313 3.624 50 0 HHAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000024974473 558623539 /nfs/dbraw/zinc/62/35/39/558623539.db2.gz DIEPOBOATGOWGG-CALCHBBNSA-N 1 1 411.974 3.686 50 0 HHAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCCCOc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000024974473 558623542 /nfs/dbraw/zinc/62/35/42/558623542.db2.gz DIEPOBOATGOWGG-CALCHBBNSA-N 1 1 411.974 3.686 50 0 HHAAMO CCOc1c(Cl)cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000014163038 558626355 /nfs/dbraw/zinc/62/63/55/558626355.db2.gz SYUKHMHZCVNLIK-UHFFFAOYSA-N 1 1 402.922 3.748 50 0 HHAAMO Cc1cc(C)c(NC(=O)CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000026164329 558656834 /nfs/dbraw/zinc/65/68/34/558656834.db2.gz QLSKFUMQJRGMRI-UHFFFAOYSA-N 1 1 422.573 3.686 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000014970135 558687083 /nfs/dbraw/zinc/68/70/83/558687083.db2.gz JHMCTLPZPBIZFH-MRXNPFEDSA-N 1 1 403.498 3.878 50 0 HHAAMO CC[NH+]1CCN(C2(CNC(=O)c3ccc(Br)cc3)CCCCC2)CC1 ZINC000028293521 558698613 /nfs/dbraw/zinc/69/86/13/558698613.db2.gz VLFOYJWAIVWRRY-UHFFFAOYSA-N 1 1 408.384 3.519 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)[nH]n1 ZINC000015065837 558708603 /nfs/dbraw/zinc/70/86/03/558708603.db2.gz BATPMYKPJUZJPZ-SFHVURJKSA-N 1 1 400.542 3.774 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)n[nH]1 ZINC000015065837 558708607 /nfs/dbraw/zinc/70/86/07/558708607.db2.gz BATPMYKPJUZJPZ-SFHVURJKSA-N 1 1 400.542 3.774 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)n[nH]1 ZINC000015065837 558708608 /nfs/dbraw/zinc/70/86/08/558708608.db2.gz BATPMYKPJUZJPZ-SFHVURJKSA-N 1 1 400.542 3.774 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)[nH]n1 ZINC000015065838 558708670 /nfs/dbraw/zinc/70/86/70/558708670.db2.gz BATPMYKPJUZJPZ-GOSISDBHSA-N 1 1 400.542 3.774 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)n[nH]1 ZINC000015065838 558708673 /nfs/dbraw/zinc/70/86/73/558708673.db2.gz BATPMYKPJUZJPZ-GOSISDBHSA-N 1 1 400.542 3.774 50 0 HHAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)n[nH]1 ZINC000015065838 558708677 /nfs/dbraw/zinc/70/86/77/558708677.db2.gz BATPMYKPJUZJPZ-GOSISDBHSA-N 1 1 400.542 3.774 50 0 HHAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2cccc3nccnc23)C1 ZINC000015068892 558711414 /nfs/dbraw/zinc/71/14/14/558711414.db2.gz PCRNTDYZUZIJQI-HXUWFJFHSA-N 1 1 417.557 3.718 50 0 HHAAMO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072308342 558770256 /nfs/dbraw/zinc/77/02/56/558770256.db2.gz UHKWHLBHIMFQGW-CVDCTZTESA-N 1 1 423.557 3.563 50 0 HHAAMO COC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1ccccc1C=C2 ZINC000022340969 558779522 /nfs/dbraw/zinc/77/95/22/558779522.db2.gz CJTGFJOJBJVUDN-UHFFFAOYSA-N 1 1 407.470 3.736 50 0 HHAAMO Cc1nn(C)cc1[C@@H](C)NC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039461406 558821488 /nfs/dbraw/zinc/82/14/88/558821488.db2.gz QPZQNCUZKRYCRZ-GOSISDBHSA-N 1 1 402.542 3.575 50 0 HHAAMO COCCn1c2ccc(C)cc2cc(C[NH2+]CC2(N3CCCCC3)CCCC2)c1=O ZINC000039558083 558822395 /nfs/dbraw/zinc/82/23/95/558822395.db2.gz WWPUIFHMOKOBDO-UHFFFAOYSA-N 1 1 411.590 3.845 50 0 HHAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)Nc1cccnc1 ZINC000033069232 558865842 /nfs/dbraw/zinc/86/58/42/558865842.db2.gz LXWZOEHEDYNLQV-UHFFFAOYSA-N 1 1 423.904 3.979 50 0 HHAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)Nc1cccnc1 ZINC000033069232 558865847 /nfs/dbraw/zinc/86/58/47/558865847.db2.gz LXWZOEHEDYNLQV-UHFFFAOYSA-N 1 1 423.904 3.979 50 0 HHAAMO CC(=O)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000055182705 558875328 /nfs/dbraw/zinc/87/53/28/558875328.db2.gz DETJZQXMLAOUAZ-HSZRJFAPSA-N 1 1 405.542 3.624 50 0 HHAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)CC2)cc1 ZINC000058015782 558895372 /nfs/dbraw/zinc/89/53/72/558895372.db2.gz WTYUBONZGGTJAC-UHFFFAOYSA-N 1 1 409.505 3.587 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cc(OC)c(OC)cc2C)c1C ZINC000058169292 558907716 /nfs/dbraw/zinc/90/77/16/558907716.db2.gz YYQGLUBMSYACKZ-INIZCTEOSA-N 1 1 416.518 3.837 50 0 HHAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cc(OC)c(OC)cc2C)c1C ZINC000058169292 558907718 /nfs/dbraw/zinc/90/77/18/558907718.db2.gz YYQGLUBMSYACKZ-INIZCTEOSA-N 1 1 416.518 3.837 50 0 HHAAMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058306343 558918135 /nfs/dbraw/zinc/91/81/35/558918135.db2.gz ZNADWKNSJOLCCW-QFIPXVFZSA-N 1 1 405.546 3.685 50 0 HHAAMO COc1ccc(-c2n[nH]cc2CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)c(F)c1 ZINC000019642588 558947805 /nfs/dbraw/zinc/94/78/05/558947805.db2.gz DMZRYFJFWYTCSC-UHFFFAOYSA-N 1 1 420.532 3.900 50 0 HHAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033068984 558980617 /nfs/dbraw/zinc/98/06/17/558980617.db2.gz RGIXJBPMJPBNSP-UHFFFAOYSA-N 1 1 417.531 3.502 50 0 HHAAMO CC[C@H](C)NC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069200 558983573 /nfs/dbraw/zinc/98/35/73/558983573.db2.gz RQOXKURKWAQWLW-HNNXBMFYSA-N 1 1 402.926 3.860 50 0 HHAAMO CC[C@H](C)NC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069200 558983575 /nfs/dbraw/zinc/98/35/75/558983575.db2.gz RQOXKURKWAQWLW-HNNXBMFYSA-N 1 1 402.926 3.860 50 0 HHAAMO Oc1cc(-c2csc3ccccc23)cc2c1OCC[N@H+](CCN1CCOCC1)C2 ZINC000067691539 558991488 /nfs/dbraw/zinc/99/14/88/558991488.db2.gz BAXJYPVSXDNCSV-UHFFFAOYSA-N 1 1 410.539 3.801 50 0 HHAAMO Oc1cc(-c2csc3ccccc23)cc2c1OCC[N@@H+](CCN1CCOCC1)C2 ZINC000067691539 558991491 /nfs/dbraw/zinc/99/14/91/558991491.db2.gz BAXJYPVSXDNCSV-UHFFFAOYSA-N 1 1 410.539 3.801 50 0 HHAAMO CCN(C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 ZINC000082092556 559037161 /nfs/dbraw/zinc/03/71/61/559037161.db2.gz INLHNHFIXWLYCQ-JOCHJYFZSA-N 1 1 412.622 3.939 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000247488613 559074238 /nfs/dbraw/zinc/07/42/38/559074238.db2.gz LRKYTJGKSXCYDT-UXHICEINSA-N 1 1 413.512 3.820 50 0 HHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936628 559211898 /nfs/dbraw/zinc/21/18/98/559211898.db2.gz BMNVEUGRYZLPHA-GOSISDBHSA-N 1 1 415.603 3.884 50 0 HHAAMO COc1ccc([C@@H]2CCc3nc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cn3C2)cc1 ZINC000248132843 559265106 /nfs/dbraw/zinc/26/51/06/559265106.db2.gz ZDMZLNXQHOJNDR-UYAOXDASSA-N 1 1 410.562 3.616 50 0 HHAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4nccs4)cc3)cn2)CC1 ZINC000065476951 559279558 /nfs/dbraw/zinc/27/95/58/559279558.db2.gz UTLVWQXNAGNJMQ-UHFFFAOYSA-N 1 1 422.558 3.669 50 0 HHAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000006554659 560206086 /nfs/dbraw/zinc/20/60/86/560206086.db2.gz ZDNXZGYMXMNADE-HUVFLSCGSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000006554659 560206087 /nfs/dbraw/zinc/20/60/87/560206087.db2.gz ZDNXZGYMXMNADE-HUVFLSCGSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCC1CCC([N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078806159 560540713 /nfs/dbraw/zinc/54/07/13/560540713.db2.gz CWVNGBSHLZZPPF-NSSZEPTDSA-N 1 1 405.558 3.750 50 0 HHAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)NCc1ccco1 ZINC000017724660 560724229 /nfs/dbraw/zinc/72/42/29/560724229.db2.gz ZDNXZGYMXMNADE-AGILITTLSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)NCc1ccco1 ZINC000017724660 560724230 /nfs/dbraw/zinc/72/42/30/560724230.db2.gz ZDNXZGYMXMNADE-AGILITTLSA-N 1 1 412.530 3.663 50 0 biogenic,in-vitro HHAAMO OCCCC1=NC2=[NH+]C(c3ccc(Br)cc3)=C[C@H](c3cccs3)N2N1 ZINC000100486221 560850319 /nfs/dbraw/zinc/85/03/19/560850319.db2.gz KSCMIVUCGXFVDE-OAHLLOKOSA-N 1 1 417.332 3.954 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022908183 568416324 /nfs/dbraw/zinc/41/63/24/568416324.db2.gz SBGMTXGIUVNJEQ-FQEVSTJZSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022908183 568416325 /nfs/dbraw/zinc/41/63/25/568416325.db2.gz SBGMTXGIUVNJEQ-FQEVSTJZSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000108498216 568418991 /nfs/dbraw/zinc/41/89/91/568418991.db2.gz ZUKZVSRIWTYJHA-ZWKOTPCHSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000108498216 568418992 /nfs/dbraw/zinc/41/89/92/568418992.db2.gz ZUKZVSRIWTYJHA-ZWKOTPCHSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000108498216 568418993 /nfs/dbraw/zinc/41/89/93/568418993.db2.gz ZUKZVSRIWTYJHA-ZWKOTPCHSA-N 1 1 406.505 3.760 50 0 HHAAMO COc1ccccc1[C@@H](CNS(=O)(=O)c1cc(C)ccc1F)[NH+]1CCCCC1 ZINC000048287666 568434646 /nfs/dbraw/zinc/43/46/46/568434646.db2.gz CYKSJTGDVLTKNO-LJQANCHMSA-N 1 1 406.523 3.648 50 0 HHAAMO CC(C)[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)[N@H+]1CCc2ccccc2C1 ZINC000048324205 568438088 /nfs/dbraw/zinc/43/80/88/568438088.db2.gz QNHIZGKEURPNSM-VWLOTQADSA-N 1 1 416.569 3.973 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)c1ccco1 ZINC000049547085 568451510 /nfs/dbraw/zinc/45/15/10/568451510.db2.gz HGDPXTZHHRSZEN-CQSZACIVSA-N 1 1 409.273 3.593 50 0 HHAAMO O=C(Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296538 568462683 /nfs/dbraw/zinc/46/26/83/568462683.db2.gz RELIPIDQVGZJDS-FUHWJXTLSA-N 1 1 404.352 3.785 50 0 biogenic HHAAMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326704 568471851 /nfs/dbraw/zinc/47/18/51/568471851.db2.gz BAMQVPYWMNHYKI-WOUKOJEXSA-N 1 1 409.574 3.811 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+](C)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213969 568594448 /nfs/dbraw/zinc/59/44/48/568594448.db2.gz RPLZRBXZLWBDNL-LJQANCHMSA-N 1 1 405.926 3.776 50 0 HHAAMO CCOC(=O)C1C(C[N@H+](C)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213969 568594449 /nfs/dbraw/zinc/59/44/49/568594449.db2.gz RPLZRBXZLWBDNL-LJQANCHMSA-N 1 1 405.926 3.776 50 0 HHAAMO CCOC(=O)C1C(C[N@@H+](C)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213969 568594450 /nfs/dbraw/zinc/59/44/50/568594450.db2.gz RPLZRBXZLWBDNL-LJQANCHMSA-N 1 1 405.926 3.776 50 0 HHAAMO C[C@@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288509 568597866 /nfs/dbraw/zinc/59/78/66/568597866.db2.gz VAOBONOYLFKBSP-GCJKJVERSA-N 1 1 406.555 3.825 50 0 HHAAMO Cc1ncc(C[N@@H+](C)CCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095473539 568628936 /nfs/dbraw/zinc/62/89/36/568628936.db2.gz WTJQJDVNTLVSMC-UHFFFAOYSA-N 1 1 403.276 3.554 50 0 HHAAMO O=C(C[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000225674744 568662959 /nfs/dbraw/zinc/66/29/59/568662959.db2.gz MGJIIOPJSSOTGX-FQEVSTJZSA-N 1 1 408.420 3.897 50 0 HHAAMO CNC(=O)Cc1nc(C[N@@H+]2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)cs1 ZINC000438484016 568723307 /nfs/dbraw/zinc/72/33/07/568723307.db2.gz GSSRHSQXCUNKHC-NRFANRHFSA-N 1 1 413.587 3.947 50 0 HHAAMO CNC(=O)Cc1nc(C[N@H+]2Cc3cc(OC)ccc3C[C@H]2C2CCCCC2)cs1 ZINC000438484016 568723311 /nfs/dbraw/zinc/72/33/11/568723311.db2.gz GSSRHSQXCUNKHC-NRFANRHFSA-N 1 1 413.587 3.947 50 0 HHAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460525 568768467 /nfs/dbraw/zinc/76/84/67/568768467.db2.gz GKAZMXGMTVNCOJ-HNAYVOBHSA-N 1 1 406.596 3.941 50 0 HHAAMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc2c1OCCO2 ZINC000022619296 568772084 /nfs/dbraw/zinc/77/20/84/568772084.db2.gz IDMMGDXETLDIPF-GOSISDBHSA-N 1 1 416.905 3.687 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccccc1 ZINC000057270678 568825499 /nfs/dbraw/zinc/82/54/99/568825499.db2.gz PAKCDGZQQXTOBB-XOBRGWDASA-N 1 1 413.905 3.862 50 0 HHAAMO CCOC(=O)C1C(C[NH2+][C@@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270678 568825501 /nfs/dbraw/zinc/82/55/01/568825501.db2.gz PAKCDGZQQXTOBB-XOBRGWDASA-N 1 1 413.905 3.862 50 0 HHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057442717 568837034 /nfs/dbraw/zinc/83/70/34/568837034.db2.gz ZFVPTKGBNHXOJS-AWEZNQCLSA-N 1 1 405.420 3.901 50 0 HHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000057442717 568837036 /nfs/dbraw/zinc/83/70/36/568837036.db2.gz ZFVPTKGBNHXOJS-AWEZNQCLSA-N 1 1 405.420 3.901 50 0 HHAAMO Cc1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cnn1-c1cc(F)ccc1Cl ZINC000230206503 568854997 /nfs/dbraw/zinc/85/49/97/568854997.db2.gz BSRKOWKXVWEBEG-BEFAXECRSA-N 1 1 404.917 3.968 50 0 biogenic HHAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992188 568873053 /nfs/dbraw/zinc/87/30/53/568873053.db2.gz XELZJZRNKWSHBN-RQVMVGKASA-N 1 1 411.889 3.619 50 0 HHAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000504679291 568891519 /nfs/dbraw/zinc/89/15/19/568891519.db2.gz VGGOQMDLCUWUBS-WDJPJFJCSA-N 1 1 408.498 3.722 50 0 HHAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccccc1 ZINC000504679291 568891520 /nfs/dbraw/zinc/89/15/20/568891520.db2.gz VGGOQMDLCUWUBS-WDJPJFJCSA-N 1 1 408.498 3.722 50 0 HHAAMO COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2 ZINC000004029797 568934502 /nfs/dbraw/zinc/93/45/02/568934502.db2.gz BVCMOJHQNDYZII-CVEARBPZSA-N 1 1 420.303 3.839 50 0 biogenic HHAAMO O=C([C@H]1C[C@H]1c1ccccc1Br)N1CC[NH+](CCc2ccccc2)CC1 ZINC000084528919 568950361 /nfs/dbraw/zinc/95/03/61/568950361.db2.gz WVCGNJGBLYVSLC-PMACEKPBSA-N 1 1 413.359 3.940 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 ZINC000012778649 568956369 /nfs/dbraw/zinc/95/63/69/568956369.db2.gz ZULXZIDBHBMIHR-OKILXGFUSA-N 1 1 420.966 3.643 50 0 HHAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)C1 ZINC000012778649 568956370 /nfs/dbraw/zinc/95/63/70/568956370.db2.gz ZULXZIDBHBMIHR-OKILXGFUSA-N 1 1 420.966 3.643 50 0 HHAAMO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000015731269 568981820 /nfs/dbraw/zinc/98/18/20/568981820.db2.gz RPYPSLADDHAIHQ-IBGZPJMESA-N 1 1 405.546 3.884 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225941 568983249 /nfs/dbraw/zinc/98/32/49/568983249.db2.gz STHJBXMALOMMOU-CYBMUJFWSA-N 1 1 405.292 3.679 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225941 568983247 /nfs/dbraw/zinc/98/32/47/568983247.db2.gz STHJBXMALOMMOU-CYBMUJFWSA-N 1 1 405.292 3.679 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225940 568983291 /nfs/dbraw/zinc/98/32/91/568983291.db2.gz STHJBXMALOMMOU-ZDUSSCGKSA-N 1 1 405.292 3.679 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000008225940 568983292 /nfs/dbraw/zinc/98/32/92/568983292.db2.gz STHJBXMALOMMOU-ZDUSSCGKSA-N 1 1 405.292 3.679 50 0 HHAAMO Cc1ccc(-c2noc([C@H](C)NCc3ccccc3C[NH+]3CCOCC3)n2)cc1F ZINC000012811272 568985200 /nfs/dbraw/zinc/98/52/00/568985200.db2.gz UFSQYAZAJLREGI-KRWDZBQOSA-N 1 1 410.493 3.867 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008275219 568986823 /nfs/dbraw/zinc/98/68/23/568986823.db2.gz ZEXCXKNWMJPBAJ-FQEVSTJZSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000008275219 568986824 /nfs/dbraw/zinc/98/68/24/568986824.db2.gz ZEXCXKNWMJPBAJ-FQEVSTJZSA-N 1 1 423.513 3.950 50 0 HHAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000008345278 568994414 /nfs/dbraw/zinc/99/44/14/568994414.db2.gz NSKJTFMXYBCPRJ-KUHUBIRLSA-N 1 1 421.994 3.934 50 0 HHAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4nc5ccccc5s4)cc3s2)CC1 ZINC000038511332 568997966 /nfs/dbraw/zinc/99/79/66/568997966.db2.gz ZOMBMWCCIQSHNZ-UHFFFAOYSA-N 1 1 409.540 3.910 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(SC)cc3)C[C@H]2CCO)c(F)c1 ZINC000104357395 569008301 /nfs/dbraw/zinc/00/83/01/569008301.db2.gz CCINMOOHFPNXIW-LJQANCHMSA-N 1 1 404.551 3.625 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(SC)cc3)C[C@H]2CCO)c(F)c1 ZINC000104357395 569008302 /nfs/dbraw/zinc/00/83/02/569008302.db2.gz CCINMOOHFPNXIW-LJQANCHMSA-N 1 1 404.551 3.625 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c(C)c1C ZINC000104327334 569008306 /nfs/dbraw/zinc/00/83/06/569008306.db2.gz VZNFOSGCHUFNHX-HXUWFJFHSA-N 1 1 417.619 3.961 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3nc(C(C)C)cs3)C[C@H]2CCO)c(C)c1C ZINC000104327334 569008307 /nfs/dbraw/zinc/00/83/07/569008307.db2.gz VZNFOSGCHUFNHX-HXUWFJFHSA-N 1 1 417.619 3.961 50 0 HHAAMO CC[C@@H]1C[N@@H+](CCC(=O)N[C@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000104404765 569008491 /nfs/dbraw/zinc/00/84/91/569008491.db2.gz YEXCSVRASVCNKZ-RHSMWYFYSA-N 1 1 403.548 3.701 50 0 HHAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012853194 569010637 /nfs/dbraw/zinc/01/06/37/569010637.db2.gz WJYATPIUBIJSKR-UHFFFAOYSA-N 1 1 406.452 3.868 50 0 HHAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000012853194 569010638 /nfs/dbraw/zinc/01/06/38/569010638.db2.gz WJYATPIUBIJSKR-UHFFFAOYSA-N 1 1 406.452 3.868 50 0 HHAAMO Cc1sc2ncnc(SCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1C ZINC000012891461 569020067 /nfs/dbraw/zinc/02/00/67/569020067.db2.gz ORFFOYRMIBBACK-KRWDZBQOSA-N 1 1 412.584 3.791 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C)sc2C1 ZINC000012929682 569024349 /nfs/dbraw/zinc/02/43/49/569024349.db2.gz DCUUCSXEGIYRHQ-UHFFFAOYSA-N 1 1 401.923 3.921 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C)sc2C1 ZINC000012929682 569024350 /nfs/dbraw/zinc/02/43/50/569024350.db2.gz DCUUCSXEGIYRHQ-UHFFFAOYSA-N 1 1 401.923 3.921 50 0 HHAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1C ZINC000012944689 569028920 /nfs/dbraw/zinc/02/89/20/569028920.db2.gz DUCBWGWALMASDY-GASCZTMLSA-N 1 1 414.575 3.606 50 0 HHAAMO Cc1ccc(C(=O)NCC(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1C ZINC000012944689 569028921 /nfs/dbraw/zinc/02/89/21/569028921.db2.gz DUCBWGWALMASDY-GASCZTMLSA-N 1 1 414.575 3.606 50 0 HHAAMO C[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454070 569037856 /nfs/dbraw/zinc/03/78/56/569037856.db2.gz FMYKLAAJFBPSHC-OALUTQOASA-N 1 1 424.589 3.647 50 0 HHAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000035509832 569041768 /nfs/dbraw/zinc/04/17/68/569041768.db2.gz DCBQXIUOLJPISE-UHFFFAOYSA-N 1 1 412.559 3.800 50 0 HHAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000035509832 569041769 /nfs/dbraw/zinc/04/17/69/569041769.db2.gz DCBQXIUOLJPISE-UHFFFAOYSA-N 1 1 412.559 3.800 50 0 HHAAMO C[N@@H+](Cc1ccccc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C1CCCCC1 ZINC000012984989 569047727 /nfs/dbraw/zinc/04/77/27/569047727.db2.gz XKZWAAQWULMDKT-UHFFFAOYSA-N 1 1 420.513 3.505 50 0 HHAAMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422464 569048236 /nfs/dbraw/zinc/04/82/36/569048236.db2.gz FWZCQWCDPGAPFG-NUJGCVRESA-N 1 1 412.500 3.696 50 0 HHAAMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422464 569048237 /nfs/dbraw/zinc/04/82/37/569048237.db2.gz FWZCQWCDPGAPFG-NUJGCVRESA-N 1 1 412.500 3.696 50 0 HHAAMO Cc1csc(CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000241170965 569054675 /nfs/dbraw/zinc/05/46/75/569054675.db2.gz KDEJBRWCAPVMCZ-IAGOWNOFSA-N 1 1 411.493 3.811 50 0 HHAAMO Cc1csc(CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000241170964 569054735 /nfs/dbraw/zinc/05/47/35/569054735.db2.gz KDEJBRWCAPVMCZ-DLBZAZTESA-N 1 1 411.493 3.811 50 0 HHAAMO CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000241684875 569054849 /nfs/dbraw/zinc/05/48/49/569054849.db2.gz QFXCTELSOMCKJL-NQIIRXRSSA-N 1 1 401.551 3.546 50 0 HHAAMO Cc1cc(C)nc(SCC(=O)N(C)[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000242001153 569055007 /nfs/dbraw/zinc/05/50/07/569055007.db2.gz VDHOAIVLYPKFIH-YPGOJHLTSA-N 1 1 412.603 3.801 50 0 HHAAMO COc1ccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)cc1 ZINC000035802490 569060532 /nfs/dbraw/zinc/06/05/32/569060532.db2.gz QTJYDVUDOFDQJR-QFIPXVFZSA-N 1 1 421.541 3.537 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@H](C)C3)CC1 ZINC000054214545 569061249 /nfs/dbraw/zinc/06/12/49/569061249.db2.gz NYVMRLAAMNFSQN-AWEZNQCLSA-N 1 1 417.600 3.964 50 0 HHAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000089526077 569064226 /nfs/dbraw/zinc/06/42/26/569064226.db2.gz OPABPTVSICDWEI-MOPGFXCFSA-N 1 1 421.501 3.675 50 0 HHAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000089526077 569064227 /nfs/dbraw/zinc/06/42/27/569064227.db2.gz OPABPTVSICDWEI-MOPGFXCFSA-N 1 1 421.501 3.675 50 0 HHAAMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991038 569074522 /nfs/dbraw/zinc/07/45/22/569074522.db2.gz OAJNPRWXDHYUHH-IFXJQAMLSA-N 1 1 405.926 3.728 50 0 HHAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991038 569074523 /nfs/dbraw/zinc/07/45/23/569074523.db2.gz OAJNPRWXDHYUHH-IFXJQAMLSA-N 1 1 405.926 3.728 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000035991531 569074632 /nfs/dbraw/zinc/07/46/32/569074632.db2.gz JHKPYYWSAIEJND-IBGZPJMESA-N 1 1 405.926 3.585 50 0 HHAAMO C[N@@H+]1C[C@H](c2ccccc2)[C@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000036038356 569080402 /nfs/dbraw/zinc/08/04/02/569080402.db2.gz QHOFUTURFHYTTR-BQQUOAEZSA-N 1 1 410.473 3.825 50 0 HHAAMO C[N@H+]1C[C@H](c2ccccc2)[C@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000036038356 569080404 /nfs/dbraw/zinc/08/04/04/569080404.db2.gz QHOFUTURFHYTTR-BQQUOAEZSA-N 1 1 410.473 3.825 50 0 HHAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103540 569092167 /nfs/dbraw/zinc/09/21/67/569092167.db2.gz CPDPHBGUCZSSQX-HSZRJFAPSA-N 1 1 405.494 3.995 50 0 HHAAMO COc1cccc(C[N@@H+]2CC=C(C(=O)NCc3ccc(Br)cc3)CC2)c1 ZINC000064818006 569101160 /nfs/dbraw/zinc/10/11/60/569101160.db2.gz AJWDCEOVYLXCHB-UHFFFAOYSA-N 1 1 415.331 3.906 50 0 HHAAMO O=C(C1=CC[N@@H+](Cc2cccc(F)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000064818095 569101266 /nfs/dbraw/zinc/10/12/66/569101266.db2.gz KICJNETVLXGNIG-UHFFFAOYSA-N 1 1 413.924 3.960 50 0 HHAAMO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCCC3)C3CCCC3)CC2)cc1 ZINC000036310755 569131953 /nfs/dbraw/zinc/13/19/53/569131953.db2.gz DAVUDBRXXRLBFJ-JOCHJYFZSA-N 1 1 412.578 3.716 50 0 HHAAMO CCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036310966 569132075 /nfs/dbraw/zinc/13/20/75/569132075.db2.gz WFFDATFQEGKRLB-IBGZPJMESA-N 1 1 406.958 3.527 50 0 HHAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000036346257 569143484 /nfs/dbraw/zinc/14/34/84/569143484.db2.gz MQRYCHXLZPSTDX-QGZVFWFLSA-N 1 1 413.493 3.941 50 0 HHAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](C)O ZINC000036346257 569143486 /nfs/dbraw/zinc/14/34/86/569143486.db2.gz MQRYCHXLZPSTDX-QGZVFWFLSA-N 1 1 413.493 3.941 50 0 HHAAMO CCn1cc(CC[NH+]2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)c2cccnc21 ZINC000065164659 569189412 /nfs/dbraw/zinc/18/94/12/569189412.db2.gz JIVIBJCZUHWXRE-UHFFFAOYSA-N 1 1 414.912 3.849 50 0 HHAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4)CC3)n2)cc1 ZINC000065184178 569191261 /nfs/dbraw/zinc/19/12/61/569191261.db2.gz XXHOGDSJJAZBHU-UHFFFAOYSA-N 1 1 406.486 3.872 50 0 HHAAMO CC(C)(C)c1ccc(OCC(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036699981 569222488 /nfs/dbraw/zinc/22/24/88/569222488.db2.gz STBKILRWAIQRBR-QHCPKHFHSA-N 1 1 410.558 3.943 50 0 HHAAMO CC(C)(C)c1ccc(OCC(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036699981 569222489 /nfs/dbraw/zinc/22/24/89/569222489.db2.gz STBKILRWAIQRBR-QHCPKHFHSA-N 1 1 410.558 3.943 50 0 HHAAMO C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000065575941 569235991 /nfs/dbraw/zinc/23/59/91/569235991.db2.gz OZHGIVOZDBUQDH-OXJNMPFZSA-N 1 1 416.363 3.695 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1Cl ZINC000037117508 569237445 /nfs/dbraw/zinc/23/74/45/569237445.db2.gz UHVNGBTZNVVIND-KRWDZBQOSA-N 1 1 422.312 3.711 50 0 HHAAMO COc1cccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000037195931 569240029 /nfs/dbraw/zinc/24/00/29/569240029.db2.gz BZBPIJBDGJCONN-KXBFYZLASA-N 1 1 421.522 3.816 50 0 HHAAMO COc1cccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)C2=O)c1 ZINC000037195931 569240030 /nfs/dbraw/zinc/24/00/30/569240030.db2.gz BZBPIJBDGJCONN-KXBFYZLASA-N 1 1 421.522 3.816 50 0 HHAAMO Cc1ccccc1NC(=O)Nc1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1 ZINC000013611637 569256676 /nfs/dbraw/zinc/25/66/76/569256676.db2.gz CJMRCSXORGLITP-UHFFFAOYSA-N 1 1 402.502 3.848 50 0 HHAAMO O=C(C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000089832506 569266782 /nfs/dbraw/zinc/26/67/82/569266782.db2.gz UJYRVWICDPVUSW-NRFANRHFSA-N 1 1 422.525 3.940 50 0 HHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000017042586 569272391 /nfs/dbraw/zinc/27/23/91/569272391.db2.gz XEUYOQIJLZIAOS-UHFFFAOYSA-N 1 1 405.477 3.939 50 0 HHAAMO C[N@@H+](CCOCCOc1ccc(I)cc1)Cc1ccccc1 ZINC000002821938 569278042 /nfs/dbraw/zinc/27/80/42/569278042.db2.gz RWMLLWGBGPKKOJ-UHFFFAOYSA-N 1 1 411.283 3.819 50 0 HHAAMO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000252458541 569286619 /nfs/dbraw/zinc/28/66/19/569286619.db2.gz QBRFUQOQKDMYFZ-WOJBJXKFSA-N 1 1 412.603 3.786 50 0 HHAAMO CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000170654881 569295468 /nfs/dbraw/zinc/29/54/68/569295468.db2.gz WJBOWKAXLZCAJA-WMZHIEFXSA-N 1 1 408.542 3.756 50 0 HHAAMO O=C(/C=C/c1ccc(Br)s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000065870655 569300277 /nfs/dbraw/zinc/30/02/77/569300277.db2.gz DIJMRTIXROJKRW-GQCTYLIASA-N 1 1 411.390 3.972 50 0 HHAAMO O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007792069 569310976 /nfs/dbraw/zinc/31/09/76/569310976.db2.gz ABBGAKFHMWXDHA-HSZRJFAPSA-N 1 1 414.505 3.687 50 0 HHAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000002326771 569375521 /nfs/dbraw/zinc/37/55/21/569375521.db2.gz TZJHZIYOBGMFGD-HXUWFJFHSA-N 1 1 419.506 3.809 50 0 HHAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000002326771 569375523 /nfs/dbraw/zinc/37/55/23/569375523.db2.gz TZJHZIYOBGMFGD-HXUWFJFHSA-N 1 1 419.506 3.809 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000002377366 569389622 /nfs/dbraw/zinc/38/96/22/569389622.db2.gz QWQNYINXGBLPIP-UHFFFAOYSA-N 1 1 411.889 3.995 50 0 HHAAMO Cc1cc(C)n(C[C@H](C)CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000078875816 569421031 /nfs/dbraw/zinc/42/10/31/569421031.db2.gz WGQVLHSBHVTLQM-HXUWFJFHSA-N 1 1 404.558 3.955 50 0 HHAAMO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@H+]1C ZINC000078870210 569421044 /nfs/dbraw/zinc/42/10/44/569421044.db2.gz OIOJDZZVRKWRCQ-RDTXWAMCSA-N 1 1 405.336 3.922 50 0 HHAAMO COCC[NH+]1CCN([C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)CC1 ZINC000040019921 571139026 /nfs/dbraw/zinc/13/90/26/571139026.db2.gz NHSDAKGIWKKYLS-OAQYLSRUSA-N 1 1 401.938 3.592 50 0 HHAAMO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c1 ZINC000008901124 571144555 /nfs/dbraw/zinc/14/45/55/571144555.db2.gz MMBKOIVXTMPYOB-GOSISDBHSA-N 1 1 424.588 3.661 50 0 HHAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000040067062 571148057 /nfs/dbraw/zinc/14/80/57/571148057.db2.gz GSRHYVKSNFPGBC-HXUWFJFHSA-N 1 1 410.514 3.829 50 0 HHAAMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000040067062 571148061 /nfs/dbraw/zinc/14/80/61/571148061.db2.gz GSRHYVKSNFPGBC-HXUWFJFHSA-N 1 1 410.514 3.829 50 0 HHAAMO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000040108097 571167927 /nfs/dbraw/zinc/16/79/27/571167927.db2.gz GKXKHLBIZXSMRO-LUEHDQEYSA-N 1 1 417.638 3.582 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)Nc2nc3ccccc3s2)CC1)Nc1ccc(F)cc1 ZINC000009068209 571218342 /nfs/dbraw/zinc/21/83/42/571218342.db2.gz QOGKIECMARJGMB-UHFFFAOYSA-N 1 1 412.490 3.725 50 0 HHAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3c(F)cccc3F)CC2)c(C)c1 ZINC000009071871 571218483 /nfs/dbraw/zinc/21/84/83/571218483.db2.gz ZGWHCPUATRCUEG-UHFFFAOYSA-N 1 1 415.484 3.549 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245280469 571222609 /nfs/dbraw/zinc/22/26/09/571222609.db2.gz RPICABBINFTRDJ-OFNKIYASSA-N 1 1 415.553 3.511 50 0 HHAAMO CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1 ZINC000009265170 571243946 /nfs/dbraw/zinc/24/39/46/571243946.db2.gz DJWQATNSRPOPRU-UHFFFAOYSA-N 1 1 409.461 3.992 50 0 HHAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CC)CC1 ZINC000009265434 571243968 /nfs/dbraw/zinc/24/39/68/571243968.db2.gz JZHPUYQGCAIKSS-UHFFFAOYSA-N 1 1 415.534 3.744 50 0 HHAAMO Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000069848255 571246937 /nfs/dbraw/zinc/24/69/37/571246937.db2.gz VHLWVTWHIJGMRI-UHFFFAOYSA-N 1 1 421.520 3.659 50 0 HHAAMO Cc1cc(CSc2ncccc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)no1 ZINC000009449787 571259907 /nfs/dbraw/zinc/25/99/07/571259907.db2.gz DGTNVTVJHHLKHT-GOSISDBHSA-N 1 1 412.515 3.830 50 0 HHAAMO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc(F)c(OC)c2)CC1 ZINC000011820669 962199657 /nfs/dbraw/zinc/19/96/57/962199657.db2.gz BKZZDJIZCPDEGY-UHFFFAOYSA-N 1 1 401.526 3.590 50 0 HHAAMO CN(Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1)Cc1cccnc1 ZINC000011934536 962210165 /nfs/dbraw/zinc/21/01/65/962210165.db2.gz JYHIDZVHBVCDIS-XMMPIXPASA-N 1 1 405.542 3.585 50 0 HHAAMO CN(Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1)Cc1cccnc1 ZINC000011934536 962210190 /nfs/dbraw/zinc/21/01/90/962210190.db2.gz JYHIDZVHBVCDIS-XMMPIXPASA-N 1 1 405.542 3.585 50 0 HHAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)CCn1ccc(C)n1 ZINC000011997856 962221240 /nfs/dbraw/zinc/22/12/40/962221240.db2.gz ZFSORIYNMUYVHG-NRFANRHFSA-N 1 1 400.542 3.524 50 0 HHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000012112098 962242203 /nfs/dbraw/zinc/24/22/03/962242203.db2.gz VAQFHYQQIMVYPT-NRFANRHFSA-N 1 1 419.997 3.502 50 0 HHAAMO C[C@H]1C[N@@H+](CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000012456618 962283843 /nfs/dbraw/zinc/28/38/43/962283843.db2.gz GEAJAEVKGHTLRC-OXJNMPFZSA-N 1 1 402.922 3.505 50 0 HHAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000012456471 962284452 /nfs/dbraw/zinc/28/44/52/962284452.db2.gz AAEKLLNHPOWZGU-PMACEKPBSA-N 1 1 419.997 3.802 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012586382 962298185 /nfs/dbraw/zinc/29/81/85/962298185.db2.gz SLMKBZQQAFWJQO-RUZDIDTESA-N 1 1 421.541 3.604 50 0 HHAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCC1=CCCCC1 ZINC000012749277 962325102 /nfs/dbraw/zinc/32/51/02/962325102.db2.gz UMEZBMHFCGDTSN-QHCPKHFHSA-N 1 1 405.542 3.537 50 0 HHAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCC1=CCCCC1 ZINC000012749277 962325120 /nfs/dbraw/zinc/32/51/20/962325120.db2.gz UMEZBMHFCGDTSN-QHCPKHFHSA-N 1 1 405.542 3.537 50 0 HHAAMO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccc(-n4cccn4)c3)[N@H+]3CCC[C@@]123 ZINC000012748935 962325163 /nfs/dbraw/zinc/32/51/63/962325163.db2.gz DVXZFMIXOSMXFX-GVUKDKGQSA-N 1 1 412.537 3.853 50 0 HHAAMO CCCN1CCC([N@@H+]2CCC[C@@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973854 962614962 /nfs/dbraw/zinc/61/49/62/962614962.db2.gz BWZKDSSDGKLBLY-DEOSSOPVSA-N 1 1 402.579 3.975 50 0 HHAAMO CCCN1CCC([N@H+]2CCC[C@@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000014973854 962614973 /nfs/dbraw/zinc/61/49/73/962614973.db2.gz BWZKDSSDGKLBLY-DEOSSOPVSA-N 1 1 402.579 3.975 50 0 HHAAMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745121 963375040 /nfs/dbraw/zinc/37/50/40/963375040.db2.gz WTQQWFDYLVQIKA-QHCPKHFHSA-N 1 1 408.542 3.929 50 0 HHAAMO O=C(NCCC1=CCCCC1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020211118 963386500 /nfs/dbraw/zinc/38/65/00/963386500.db2.gz DZDLSWDSFBPYGT-UHFFFAOYSA-N 1 1 408.546 3.613 50 0 HHAAMO COc1ccc(-n2ccnc2CN(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000022914131 963739259 /nfs/dbraw/zinc/73/92/59/963739259.db2.gz HXFVDWDGYXMZDK-QHCPKHFHSA-N 1 1 416.569 3.945 50 0 HHAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000023379574 963812642 /nfs/dbraw/zinc/81/26/42/963812642.db2.gz NTEWOQKWKJCVRE-GOTSBHOMSA-N 1 1 408.542 3.996 50 0 HHAAMO O=C(CSc1ccccc1)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055118804 965763049 /nfs/dbraw/zinc/76/30/49/965763049.db2.gz YWKAGYKYHXGLSK-OAQYLSRUSA-N 1 1 413.562 3.731 50 0 HHAAMO Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2C)no1 ZINC000096925974 969056127 /nfs/dbraw/zinc/05/61/27/969056127.db2.gz VHPYCMSXZVWQSC-GMAFFVFYSA-N 1 1 404.514 3.919 50 0 HHAAMO Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c2C)no1 ZINC000096925974 969056139 /nfs/dbraw/zinc/05/61/39/969056139.db2.gz VHPYCMSXZVWQSC-GMAFFVFYSA-N 1 1 404.514 3.919 50 0 HHAAMO O=C(/C=C\c1ccc(Br)s1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096943894 969060518 /nfs/dbraw/zinc/06/05/18/969060518.db2.gz WSONZXNSMMLVCB-VURMDHGXSA-N 1 1 421.360 3.672 50 0 HHAAMO O=C1c2ccccc2C(=CNC2=[NH+]CCS2)C(=O)N1c1ccccc1C(F)(F)F ZINC000101935732 969196703 /nfs/dbraw/zinc/19/67/03/969196703.db2.gz OXJQULVCMRNFJW-KAMYIIQDSA-N 1 1 417.412 3.926 50 0 HHAAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104330658 969201302 /nfs/dbraw/zinc/20/13/02/969201302.db2.gz UMNKVMHXBWOOKA-HSZRJFAPSA-N 1 1 405.542 3.702 50 0 HHAAMO Cc1cccc(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCOCC3)C2)c1 ZINC000169764975 970473082 /nfs/dbraw/zinc/47/30/82/970473082.db2.gz AJWYLVHUWXJDDS-QFIPXVFZSA-N 1 1 408.542 3.758 50 0 HHAAMO CCCNC(=O)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776670 970478618 /nfs/dbraw/zinc/47/86/18/970478618.db2.gz UZJCQIDKPMTZLZ-NRFANRHFSA-N 1 1 403.542 3.923 50 0 HHAAMO Cc1ccc(C(=O)N2CCOc3ccc(C[N@H+]4CCc5ccccc5C4)cc3C2)cn1 ZINC000169777141 970479436 /nfs/dbraw/zinc/47/94/36/970479436.db2.gz CVRDTGZFJXNTAZ-UHFFFAOYSA-N 1 1 413.521 3.983 50 0 HHAAMO Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H]([N@@H+](Cc2ccccc2)C2CC2)CCO3)cn1 ZINC000169780837 970480917 /nfs/dbraw/zinc/48/09/17/970480917.db2.gz FUGDEVSZZANYQN-QFIPXVFZSA-N 1 1 420.557 3.603 50 0 HHAAMO C[N@@H+](CCCNC(=O)c1c2n(c(=O)cc1-c1ccccc1)CCC2)C1CCCCC1 ZINC000169788289 970481754 /nfs/dbraw/zinc/48/17/54/970481754.db2.gz QUIAMUYNVGCCPJ-UHFFFAOYSA-N 1 1 407.558 3.846 50 0 HHAAMO O=C(NC[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2)N1CCCC1 ZINC000257174130 970616079 /nfs/dbraw/zinc/61/60/79/970616079.db2.gz CNIUSILFQKTRKW-QGZVFWFLSA-N 1 1 409.933 3.513 50 0 HHAAMO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2ccc(C)cc2c(NCCCOC)n1 ZINC000299757711 970720877 /nfs/dbraw/zinc/72/08/77/970720877.db2.gz IYEPCRCQNHOHRP-SFHVURJKSA-N 1 1 414.550 3.694 50 0 HHAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc2ccc(C)cc2c(NCCCOC)n1 ZINC000299757711 970720884 /nfs/dbraw/zinc/72/08/84/970720884.db2.gz IYEPCRCQNHOHRP-SFHVURJKSA-N 1 1 414.550 3.694 50 0 HHAAMO COc1cccc(C[NH2+]Cc2cc3ccc(C)cc3nc2N2CCC(O)CC2)c1OC ZINC000299797552 970723657 /nfs/dbraw/zinc/72/36/57/970723657.db2.gz PHUWYAUMCLSICQ-UHFFFAOYSA-N 1 1 421.541 3.811 50 0 HHAAMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2Cl)CC1 ZINC000005644292 132307321 /nfs/dbraw/zinc/30/73/21/132307321.db2.gz ZHMZOXIUCSJSOX-UHFFFAOYSA-N 1 1 408.980 3.670 50 0 HHAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(c4ccccc4O)CC3)c2c1C ZINC000006043947 132308956 /nfs/dbraw/zinc/30/89/56/132308956.db2.gz PRSIUWLQFZQUDV-UHFFFAOYSA-N 1 1 423.586 3.936 50 0 HHAAMO CC[C@H](C)[N@@H+](CCNC(=O)CCC(=O)N1CCOc2ccccc21)C1CCCCC1 ZINC000006798527 132317279 /nfs/dbraw/zinc/31/72/79/132317279.db2.gz GKZJQEYCOHRJCD-IBGZPJMESA-N 1 1 415.578 3.742 50 0 HHAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554809 132325024 /nfs/dbraw/zinc/32/50/24/132325024.db2.gz RSCUOCGZUGTDQZ-CVEARBPZSA-N 1 1 420.538 3.850 50 0 HHAAMO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554809 132325026 /nfs/dbraw/zinc/32/50/26/132325026.db2.gz RSCUOCGZUGTDQZ-CVEARBPZSA-N 1 1 420.538 3.850 50 0 HHAAMO C[N@@H+](CC(=O)Nc1ccc(I)cc1)[C@H]1CCc2ccccc21 ZINC000029482775 522505172 /nfs/dbraw/zinc/50/51/72/522505172.db2.gz GMETYCXIABXAKD-KRWDZBQOSA-N 1 1 406.267 3.849 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000225418119 523184424 /nfs/dbraw/zinc/18/44/24/523184424.db2.gz LNQHBBQGMXBOHP-CRAIPNDOSA-N 1 1 402.926 3.733 50 0 biogenic HHAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1 ZINC000032754806 523379695 /nfs/dbraw/zinc/37/96/95/523379695.db2.gz UHKICWFUYYGYOL-UHFFFAOYSA-N 1 1 407.514 3.911 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)c1 ZINC000032824706 524549314 /nfs/dbraw/zinc/54/93/14/524549314.db2.gz ALHDHAHVPRZFKE-OYRHEFFESA-N 1 1 407.558 3.567 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)c1 ZINC000032824706 524549322 /nfs/dbraw/zinc/54/93/22/524549322.db2.gz ALHDHAHVPRZFKE-OYRHEFFESA-N 1 1 407.558 3.567 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccnc3OC3CCCC3)cc2)C[C@@H](C)O1 ZINC000031993674 524991191 /nfs/dbraw/zinc/99/11/91/524991191.db2.gz SDBYEXUKQCLJSS-RTBURBONSA-N 1 1 423.557 3.942 50 0 HHAAMO c1ccc(N2CCC([N@@H+]3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)CC2)cc1 ZINC000019835724 526480579 /nfs/dbraw/zinc/48/05/79/526480579.db2.gz MAPRHSRCOWJUEF-SANMLTNESA-N 1 1 404.602 3.942 50 0 HHAAMO Cc1sc(-n2cccc2)c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000029717290 526865799 /nfs/dbraw/zinc/86/57/99/526865799.db2.gz DPZUWBUBUGYHPL-UHFFFAOYSA-N 1 1 409.555 3.918 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008747969 536938758 /nfs/dbraw/zinc/93/87/58/536938758.db2.gz LIFATGKQRGBHTA-DYESRHJHSA-N 1 1 407.514 3.986 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2cccc(C)c2)n1 ZINC000034911795 557476385 /nfs/dbraw/zinc/47/63/85/557476385.db2.gz OWVSJKNKEJFUCX-JOCHJYFZSA-N 1 1 417.557 3.575 50 0 HHAAMO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3C)C2)cc1OC ZINC000004177163 557525126 /nfs/dbraw/zinc/52/51/26/557525126.db2.gz XLJLIWMWBJUGMI-JOCHJYFZSA-N 1 1 410.558 3.925 50 0 HHAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261698 557532922 /nfs/dbraw/zinc/53/29/22/557532922.db2.gz VGLMEBSZWBJGQV-DEOSSOPVSA-N 1 1 405.586 3.722 50 0 HHAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 ZINC000004757443 557594916 /nfs/dbraw/zinc/59/49/16/557594916.db2.gz IUCMMZDALJADMG-UHFFFAOYSA-N 1 1 418.607 3.760 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000005714992 557669923 /nfs/dbraw/zinc/66/99/23/557669923.db2.gz JPTRSILQIARTDQ-CQSZACIVSA-N 1 1 413.356 3.547 50 0 HHAAMO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1CC1CCCCC1 ZINC000019740709 558261577 /nfs/dbraw/zinc/26/15/77/558261577.db2.gz JQBJJRDBJXBCJO-JOCHJYFZSA-N 1 1 410.562 3.718 50 0 HHAAMO CCc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000019789279 558282195 /nfs/dbraw/zinc/28/21/95/558282195.db2.gz SSGOFUOBNXNZLC-UHFFFAOYSA-N 1 1 417.347 3.735 50 0 HHAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000011842983 558287896 /nfs/dbraw/zinc/28/78/96/558287896.db2.gz HNWHZIKBMJEVNJ-QFIPXVFZSA-N 1 1 403.574 3.962 50 0 HHAAMO CC(C)CC(=O)C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011844341 558289064 /nfs/dbraw/zinc/28/90/64/558289064.db2.gz FTAJCJGSNVPNAZ-NRFANRHFSA-N 1 1 418.553 3.661 50 0 HHAAMO COc1ccc(C[NH+]2CCN(Cc3cc(Br)ccc3OC)CC2)cc1 ZINC000019831693 558291699 /nfs/dbraw/zinc/29/16/99/558291699.db2.gz LDLWKQDWMTWIMP-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000019835067 558292502 /nfs/dbraw/zinc/29/25/02/558292502.db2.gz SCIIHABOJLMOJD-UHFFFAOYSA-N 1 1 417.435 3.821 50 0 HHAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011911346 558296940 /nfs/dbraw/zinc/29/69/40/558296940.db2.gz XBPHFAJUQINSHC-OAHLLOKOSA-N 1 1 421.526 3.635 50 0 HHAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)c1cncs1 ZINC000011971575 558304994 /nfs/dbraw/zinc/30/49/94/558304994.db2.gz FCEVKPSVHNKPTI-UHFFFAOYSA-N 1 1 404.517 3.632 50 0 HHAAMO CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011999782 558307763 /nfs/dbraw/zinc/30/77/63/558307763.db2.gz OETAEOSXABOKHQ-HSZRJFAPSA-N 1 1 400.526 3.576 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011999601 558307815 /nfs/dbraw/zinc/30/78/15/558307815.db2.gz CCTKFPDZSNJPGR-OAQYLSRUSA-N 1 1 407.917 3.909 50 0 HHAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011999601 558307818 /nfs/dbraw/zinc/30/78/18/558307818.db2.gz CCTKFPDZSNJPGR-OAQYLSRUSA-N 1 1 407.917 3.909 50 0 HHAAMO CCn1ncc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109474 558334777 /nfs/dbraw/zinc/33/47/77/558334777.db2.gz KQPOQBPHKVAOMU-JOCHJYFZSA-N 1 1 401.986 3.651 50 0 HHAAMO CCn1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109474 558334779 /nfs/dbraw/zinc/33/47/79/558334779.db2.gz KQPOQBPHKVAOMU-JOCHJYFZSA-N 1 1 401.986 3.651 50 0 HHAAMO Cc1ccccc1-c1ncc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cn1 ZINC000020207581 558347187 /nfs/dbraw/zinc/34/71/87/558347187.db2.gz MEMKUVHSMBDFLM-QHCPKHFHSA-N 1 1 402.542 3.521 50 0 HHAAMO Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C ZINC000012197220 558350382 /nfs/dbraw/zinc/35/03/82/558350382.db2.gz CUVIFFLGVUQQLZ-GOSISDBHSA-N 1 1 405.502 3.767 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000012210090 558353745 /nfs/dbraw/zinc/35/37/45/558353745.db2.gz LKILXATTWHWHQB-VWLOTQADSA-N 1 1 411.542 3.754 50 0 HHAAMO COc1cccc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000012240883 558360483 /nfs/dbraw/zinc/36/04/83/558360483.db2.gz NKJFKASWHJXSAB-NQIIRXRSSA-N 1 1 424.570 3.831 50 0 HHAAMO COc1cccc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000012240883 558360486 /nfs/dbraw/zinc/36/04/86/558360486.db2.gz NKJFKASWHJXSAB-NQIIRXRSSA-N 1 1 424.570 3.831 50 0 HHAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4cc(=O)c5ccccc5[nH]4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012299623 558369514 /nfs/dbraw/zinc/36/95/14/558369514.db2.gz NFBSEFGNRWPFQS-PMHROOCVSA-N 1 1 415.493 3.891 50 0 HHAAMO O=C(NCCC[NH+]1CCOCC1)c1sc2cc(Br)ccc2c1Cl ZINC000020472639 558374226 /nfs/dbraw/zinc/37/42/26/558374226.db2.gz ZKDHPMYHSXIDJT-UHFFFAOYSA-N 1 1 417.756 3.769 50 0 HHAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012306525 558375286 /nfs/dbraw/zinc/37/52/86/558375286.db2.gz OTAGIVVZHSLXFJ-FQEVSTJZSA-N 1 1 417.513 3.886 50 0 HHAAMO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CSc3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000012307105 558375770 /nfs/dbraw/zinc/37/57/70/558375770.db2.gz DEWOVGGQXHGIGU-GOSISDBHSA-N 1 1 424.570 3.753 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CSc3nc4cc(C)ccc4[nH]3)C2)c1 ZINC000012307105 558375773 /nfs/dbraw/zinc/37/57/73/558375773.db2.gz DEWOVGGQXHGIGU-GOSISDBHSA-N 1 1 424.570 3.753 50 0 HHAAMO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CSc3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000012307105 558375775 /nfs/dbraw/zinc/37/57/75/558375775.db2.gz DEWOVGGQXHGIGU-GOSISDBHSA-N 1 1 424.570 3.753 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CSc3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000012307105 558375777 /nfs/dbraw/zinc/37/57/77/558375777.db2.gz DEWOVGGQXHGIGU-GOSISDBHSA-N 1 1 424.570 3.753 50 0 HHAAMO CC[N@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000020517980 558383029 /nfs/dbraw/zinc/38/30/29/558383029.db2.gz HJNRRLPQEFSWQY-NDWLXSOOSA-N 1 1 403.526 3.905 50 0 HHAAMO COc1cc(CN(C)Cc2ccc(F)cc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012430258 558404921 /nfs/dbraw/zinc/40/49/21/558404921.db2.gz DMULEYLWMICRNC-OAQYLSRUSA-N 1 1 404.526 3.546 50 0 HHAAMO COc1cc(CN(C)Cc2ccc(F)cc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012430258 558404924 /nfs/dbraw/zinc/40/49/24/558404924.db2.gz DMULEYLWMICRNC-OAQYLSRUSA-N 1 1 404.526 3.546 50 0 HHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+]1CCCN(C=O)CC1 ZINC000012459117 558418588 /nfs/dbraw/zinc/41/85/88/558418588.db2.gz NWAOJYZUSZTRRA-UHFFFAOYSA-N 1 1 410.468 3.790 50 0 HHAAMO COCCC[N@H+](Cc1cccn1Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000004346776 558427609 /nfs/dbraw/zinc/42/76/09/558427609.db2.gz IZFDUTALZOIYRM-SANMLTNESA-N 1 1 422.569 3.953 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000021473060 558439332 /nfs/dbraw/zinc/43/93/32/558439332.db2.gz ZNLNFBWZXSAWHF-NRFANRHFSA-N 1 1 409.530 3.512 50 0 HHAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000021473060 558439334 /nfs/dbraw/zinc/43/93/34/558439334.db2.gz ZNLNFBWZXSAWHF-NRFANRHFSA-N 1 1 409.530 3.512 50 0 HHAAMO COc1ccc(CC(=O)N(C)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1OC ZINC000012702173 558448228 /nfs/dbraw/zinc/44/82/28/558448228.db2.gz JHUQQNTWLZEQLJ-QFIPXVFZSA-N 1 1 410.558 3.802 50 0 HHAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCN(C(C)=O)CC2)c1 ZINC000012716680 558455456 /nfs/dbraw/zinc/45/54/56/558455456.db2.gz AQOYTGDADHJKBF-UHFFFAOYSA-N 1 1 404.514 3.602 50 0 HHAAMO Cc1noc(C)c1COc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000021973114 558456820 /nfs/dbraw/zinc/45/68/20/558456820.db2.gz ROFLZRAYQCVVAI-UHFFFAOYSA-N 1 1 419.525 3.871 50 0 HHAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012789265 558464440 /nfs/dbraw/zinc/46/44/40/558464440.db2.gz XXEBYWSAGKFWHK-CQSZACIVSA-N 1 1 403.408 3.918 50 0 HHAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000012789265 558464441 /nfs/dbraw/zinc/46/44/41/558464441.db2.gz XXEBYWSAGKFWHK-CQSZACIVSA-N 1 1 403.408 3.918 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000012790946 558465649 /nfs/dbraw/zinc/46/56/49/558465649.db2.gz NUAWPUCMSTWIJO-VQTJNVASSA-N 1 1 419.928 3.653 50 0 HHAAMO Cc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C(C)C)cc1 ZINC000012798750 558470645 /nfs/dbraw/zinc/47/06/45/558470645.db2.gz RQOINYMQXDIQJV-RTWAWAEBSA-N 1 1 415.965 3.822 50 0 HHAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)C1 ZINC000022294864 558476676 /nfs/dbraw/zinc/47/66/76/558476676.db2.gz RQKDNBCGCZJVGY-HUUCEWRRSA-N 1 1 414.531 3.558 50 0 HHAAMO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000012835391 558477801 /nfs/dbraw/zinc/47/78/01/558477801.db2.gz WMUZQIPZKREFMR-IBGZPJMESA-N 1 1 413.468 3.973 50 0 HHAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000012971977 558489230 /nfs/dbraw/zinc/48/92/30/558489230.db2.gz VNXJPVVTIALSRG-UHFFFAOYSA-N 1 1 411.468 3.759 50 0 HHAAMO CCc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012998844 558499635 /nfs/dbraw/zinc/49/96/35/558499635.db2.gz ONHGLBMDNQUSQU-IBGZPJMESA-N 1 1 419.447 3.987 50 0 HHAAMO CCc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000012998844 558499636 /nfs/dbraw/zinc/49/96/36/558499636.db2.gz ONHGLBMDNQUSQU-IBGZPJMESA-N 1 1 419.447 3.987 50 0 HHAAMO CC(C)(C)c1ccc(C[NH+]2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752191 558507667 /nfs/dbraw/zinc/50/76/67/558507667.db2.gz KYMLZLFMHGFLCI-UHFFFAOYSA-N 1 1 423.586 3.745 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022812548 558514316 /nfs/dbraw/zinc/51/43/16/558514316.db2.gz UCKALXDNIAZKGM-CQSZACIVSA-N 1 1 413.465 3.792 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)cc1 ZINC000022852458 558517268 /nfs/dbraw/zinc/51/72/68/558517268.db2.gz MXOZGQXHQQEDIK-QHCPKHFHSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)cc1 ZINC000022852458 558517271 /nfs/dbraw/zinc/51/72/71/558517271.db2.gz MXOZGQXHQQEDIK-QHCPKHFHSA-N 1 1 405.542 3.702 50 0 HHAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cccc4cnccc43)C[C@@H]2CCO)cc1 ZINC000022852458 558517274 /nfs/dbraw/zinc/51/72/74/558517274.db2.gz MXOZGQXHQQEDIK-QHCPKHFHSA-N 1 1 405.542 3.702 50 0 HHAAMO COCc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914471 558521132 /nfs/dbraw/zinc/52/11/32/558521132.db2.gz YXPAOVPHNNTSEM-DEOSSOPVSA-N 1 1 409.574 3.628 50 0 HHAAMO COCc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914471 558521133 /nfs/dbraw/zinc/52/11/33/558521133.db2.gz YXPAOVPHNNTSEM-DEOSSOPVSA-N 1 1 409.574 3.628 50 0 HHAAMO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022916703 558521693 /nfs/dbraw/zinc/52/16/93/558521693.db2.gz HPCOUMLRYSZTCR-VWLOTQADSA-N 1 1 402.538 3.911 50 0 HHAAMO Brc1cccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1 ZINC000013153256 558524136 /nfs/dbraw/zinc/52/41/36/558524136.db2.gz JCGZWQHALLXIAJ-UHFFFAOYSA-N 1 1 415.335 3.743 50 0 HHAAMO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@H+]1CC1CCCCC1 ZINC000023145265 558538417 /nfs/dbraw/zinc/53/84/17/558538417.db2.gz JQBJJRDBJXBCJO-QFIPXVFZSA-N 1 1 410.562 3.718 50 0 HHAAMO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4ccccc4C)[C@@H](CCO)C3)c(C)c2c1 ZINC000023358162 558551468 /nfs/dbraw/zinc/55/14/68/558551468.db2.gz YUMOPPHCFNXVKE-NRFANRHFSA-N 1 1 407.558 3.862 50 0 HHAAMO CC(C)n1cc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361125 558552107 /nfs/dbraw/zinc/55/21/07/558552107.db2.gz XVZZYMNHLIPKHA-QFIPXVFZSA-N 1 1 401.986 3.904 50 0 HHAAMO CC(C)n1cc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361125 558552109 /nfs/dbraw/zinc/55/21/09/558552109.db2.gz XVZZYMNHLIPKHA-QFIPXVFZSA-N 1 1 401.986 3.904 50 0 HHAAMO C[C@H](NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000023864647 558578466 /nfs/dbraw/zinc/57/84/66/558578466.db2.gz XMLFUJAZCGPYJP-FQEVSTJZSA-N 1 1 403.526 3.864 50 0 HHAAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000023908468 558581069 /nfs/dbraw/zinc/58/10/69/558581069.db2.gz CLRXPTNMBCAPNK-DEOSSOPVSA-N 1 1 402.494 3.950 50 0 HHAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023909379 558581496 /nfs/dbraw/zinc/58/14/96/558581496.db2.gz OHOAABKVKIASKN-LJQANCHMSA-N 1 1 422.554 3.538 50 0 HHAAMO Cc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000024927856 558621174 /nfs/dbraw/zinc/62/11/74/558621174.db2.gz PYSSMPJEGNPWRG-SFHVURJKSA-N 1 1 405.420 3.733 50 0 HHAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 ZINC000024927856 558621176 /nfs/dbraw/zinc/62/11/76/558621176.db2.gz PYSSMPJEGNPWRG-SFHVURJKSA-N 1 1 405.420 3.733 50 0 HHAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014138856 558624554 /nfs/dbraw/zinc/62/45/54/558624554.db2.gz PDCPZSHPWZBTBO-QHCPKHFHSA-N 1 1 402.542 3.861 50 0 HHAAMO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238442 558642586 /nfs/dbraw/zinc/64/25/86/558642586.db2.gz OALJIVLWVZBTOD-IFMALSPDSA-N 1 1 413.514 3.571 50 0 HHAAMO CC(C)C[C@@H](CNC(=O)COC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000026063942 558654693 /nfs/dbraw/zinc/65/46/93/558654693.db2.gz FQOJIEAJARRCQP-QHCPKHFHSA-N 1 1 410.558 3.656 50 0 HHAAMO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)N2CCCCC2)C1 ZINC000014748627 558670025 /nfs/dbraw/zinc/67/00/25/558670025.db2.gz SZONJZNFKUOFCY-YADHBBJMSA-N 1 1 411.590 3.720 50 0 HHAAMO CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014948433 558680217 /nfs/dbraw/zinc/68/02/17/558680217.db2.gz VXOUDUDNWRLPEQ-OAQYLSRUSA-N 1 1 404.510 3.962 50 0 HHAAMO Cc1cc(O[C@H](C)C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc(C)c1Cl ZINC000027742378 558680725 /nfs/dbraw/zinc/68/07/25/558680725.db2.gz UYQYOTLBWKLVPW-LJQANCHMSA-N 1 1 422.013 3.791 50 0 HHAAMO O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015072725 558713773 /nfs/dbraw/zinc/71/37/73/558713773.db2.gz ARJOCDVSDCPEHO-DEOSSOPVSA-N 1 1 423.601 3.896 50 0 HHAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015074204 558714979 /nfs/dbraw/zinc/71/49/79/558714979.db2.gz XIFPQWJVHHULAQ-INIZCTEOSA-N 1 1 408.477 3.606 50 0 HHAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c(C)c1 ZINC000015485560 558741193 /nfs/dbraw/zinc/74/11/93/558741193.db2.gz KIZDSTMXMSJWEL-UHFFFAOYSA-N 1 1 405.420 3.739 50 0 HHAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c(C)c1 ZINC000015485560 558741195 /nfs/dbraw/zinc/74/11/95/558741195.db2.gz KIZDSTMXMSJWEL-UHFFFAOYSA-N 1 1 405.420 3.739 50 0 HHAAMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955142 558746994 /nfs/dbraw/zinc/74/69/94/558746994.db2.gz ISJXQVYJFDVXGB-UHFFFAOYSA-N 1 1 406.486 3.986 50 0 HHAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038199 558769739 /nfs/dbraw/zinc/76/97/39/558769739.db2.gz PKMLOWTZPCFGRH-MLHJIOFPSA-N 1 1 423.266 3.771 50 0 HHAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038199 558769741 /nfs/dbraw/zinc/76/97/41/558769741.db2.gz PKMLOWTZPCFGRH-MLHJIOFPSA-N 1 1 423.266 3.771 50 0 HHAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310098 558779766 /nfs/dbraw/zinc/77/97/66/558779766.db2.gz UFYLFYGFUABBDG-QFIPXVFZSA-N 1 1 414.496 3.794 50 0 HHAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310098 558779768 /nfs/dbraw/zinc/77/97/68/558779768.db2.gz UFYLFYGFUABBDG-QFIPXVFZSA-N 1 1 414.496 3.794 50 0 HHAAMO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000036576231 558799908 /nfs/dbraw/zinc/79/99/08/558799908.db2.gz HBIHILGQENLYSC-NTFDOXNWSA-N 1 1 407.599 3.698 50 0 HHAAMO O=C(Cn1ncc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000039359837 558820450 /nfs/dbraw/zinc/82/04/50/558820450.db2.gz HAZPLLJGAVBQNW-VWLOTQADSA-N 1 1 402.542 3.594 50 0 HHAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000071325837 558866274 /nfs/dbraw/zinc/86/62/74/558866274.db2.gz YVUFEZLYZUOAFD-REIDKSKDSA-N 1 1 405.498 3.582 50 0 HHAAMO Clc1ccc(-c2n[nH]cc2C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019336446 558870157 /nfs/dbraw/zinc/87/01/57/558870157.db2.gz WOWNDSJNGNSZOG-UHFFFAOYSA-N 1 1 410.905 3.777 50 0 HHAAMO CN(Cc1nccs1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000055183427 558875313 /nfs/dbraw/zinc/87/53/13/558875313.db2.gz UQAVEWSZATZHEC-FQEVSTJZSA-N 1 1 403.592 3.779 50 0 HHAAMO CCOc1cccc(N2CC[NH+](CCNC(=S)Nc3ccc(C)cc3)CC2)c1C ZINC000055549813 558882272 /nfs/dbraw/zinc/88/22/72/558882272.db2.gz FGIKRSFGBIGBAC-UHFFFAOYSA-N 1 1 412.603 3.811 50 0 HHAAMO Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000035397999 558893721 /nfs/dbraw/zinc/89/37/21/558893721.db2.gz UYAZVZQXNBLBRO-LEWJYISDSA-N 1 1 421.589 3.659 50 0 HHAAMO CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1)c1ccccc1 ZINC000058024508 558896291 /nfs/dbraw/zinc/89/62/91/558896291.db2.gz FIYZNZSOXUIZOA-QFIPXVFZSA-N 1 1 410.514 3.819 50 0 HHAAMO CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(OCC)cc1)c1ccccc1 ZINC000058024508 558896292 /nfs/dbraw/zinc/89/62/92/558896292.db2.gz FIYZNZSOXUIZOA-QFIPXVFZSA-N 1 1 410.514 3.819 50 0 HHAAMO CCOC(=O)C1=C(C[NH+]2CCCCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058167072 558907322 /nfs/dbraw/zinc/90/73/22/558907322.db2.gz HSRYRNCPZDOBJJ-LJQANCHMSA-N 1 1 405.926 3.777 50 0 HHAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CSc3ccccc3Cl)cc2)C1 ZINC000058300280 558917599 /nfs/dbraw/zinc/91/75/99/558917599.db2.gz YRKXYDMJNFFIQI-MRXNPFEDSA-N 1 1 417.962 3.768 50 0 HHAAMO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000058439131 558927315 /nfs/dbraw/zinc/92/73/15/558927315.db2.gz COROKTPUFIYLCT-KRWDZBQOSA-N 1 1 416.319 3.947 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000019595591 558946188 /nfs/dbraw/zinc/94/61/88/558946188.db2.gz HALIIDAOGDHSLF-HSZRJFAPSA-N 1 1 410.949 3.595 50 0 HHAAMO Cc1nc(C)c(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)s1 ZINC000065362942 558973921 /nfs/dbraw/zinc/97/39/21/558973921.db2.gz RNZCYNQJYUKODF-UHFFFAOYSA-N 1 1 422.558 3.873 50 0 HHAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)[nH+]1 ZINC000065365469 558976416 /nfs/dbraw/zinc/97/64/16/558976416.db2.gz JDRGFNRVTPBCKZ-UHFFFAOYSA-N 1 1 412.513 3.577 50 0 HHAAMO CCNc1cc[nH+]c(NCc2cccnc2N2CCN(c3ccccc3C)CC2)n1 ZINC000067773168 558992648 /nfs/dbraw/zinc/99/26/48/558992648.db2.gz FJFQZEXZJIOKIW-UHFFFAOYSA-N 1 1 403.534 3.551 50 0 HHAAMO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000097109077 558995196 /nfs/dbraw/zinc/99/51/96/558995196.db2.gz ZUKZVSRIWTYJHA-MSOLQXFVSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000097109077 558995197 /nfs/dbraw/zinc/99/51/97/558995197.db2.gz ZUKZVSRIWTYJHA-MSOLQXFVSA-N 1 1 406.505 3.760 50 0 HHAAMO O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000097109077 558995198 /nfs/dbraw/zinc/99/51/98/558995198.db2.gz ZUKZVSRIWTYJHA-MSOLQXFVSA-N 1 1 406.505 3.760 50 0 HHAAMO CC(C)C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082108599 559038711 /nfs/dbraw/zinc/03/87/11/559038711.db2.gz XIURZMWYKOPQMS-HSZRJFAPSA-N 1 1 412.622 3.653 50 0 HHAAMO CCC[NH+]1CCN(C(=O)CSc2nccnc2Sc2cccc(C)c2)CC1 ZINC000033289055 559044468 /nfs/dbraw/zinc/04/44/68/559044468.db2.gz GXIYOWVGMXRENQ-UHFFFAOYSA-N 1 1 402.589 3.583 50 0 HHAAMO Cc1cc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)no1 ZINC000095524092 559085837 /nfs/dbraw/zinc/08/58/37/559085837.db2.gz MWBCPTRUXYRPJQ-JOCHJYFZSA-N 1 1 401.551 3.619 50 0 HHAAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(F)c1 ZINC000248156267 559265737 /nfs/dbraw/zinc/26/57/37/559265737.db2.gz VTNILQFEDOEAIB-OFNKIYASSA-N 1 1 415.553 3.511 50 0 HHAAMO Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000005190871 559291332 /nfs/dbraw/zinc/29/13/32/559291332.db2.gz LYNDQFHYJHQXQI-UHFFFAOYSA-N 1 1 403.573 3.653 50 0 HHAAMO Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000005190871 559291334 /nfs/dbraw/zinc/29/13/34/559291334.db2.gz LYNDQFHYJHQXQI-UHFFFAOYSA-N 1 1 403.573 3.653 50 0 HHAAMO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)c1C ZINC000061880476 560561965 /nfs/dbraw/zinc/56/19/65/560561965.db2.gz FXCOZXNSJZUWTG-HXUWFJFHSA-N 1 1 416.569 3.880 50 0 HHAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000005489947 560598002 /nfs/dbraw/zinc/59/80/02/560598002.db2.gz NBGLNGIBYWBIPG-XZOQPEGZSA-N 1 1 409.449 3.894 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1Cl ZINC000008900103 560640145 /nfs/dbraw/zinc/64/01/45/560640145.db2.gz GHQKJMRNUWIVEC-INIZCTEOSA-N 1 1 400.953 3.526 50 0 HHAAMO Cc1noc(COc2ccccc2OC[C@H](O)C[N@@H+](Cc2ccccc2)C(C)C)n1 ZINC000003154775 560750040 /nfs/dbraw/zinc/75/00/40/560750040.db2.gz GYHQROWBQCPTKR-HXUWFJFHSA-N 1 1 411.502 3.607 50 0 HHAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccc(O)cc4)CC3)C2=O)cc1Cl ZINC000100898617 560762218 /nfs/dbraw/zinc/76/22/18/560762218.db2.gz SQXSVFCEXZPVLM-LJQANCHMSA-N 1 1 414.889 3.566 50 0 HHAAMO CC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000051317142 560857196 /nfs/dbraw/zinc/85/71/96/560857196.db2.gz MJNXYIGUJCAHGS-UHFFFAOYSA-N 1 1 404.470 3.790 50 0 HHAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983515 560859111 /nfs/dbraw/zinc/85/91/11/560859111.db2.gz DSMSFORBEPAZLK-NHCUHLMSSA-N 1 1 400.494 3.607 50 0 HHAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983515 560859112 /nfs/dbraw/zinc/85/91/12/560859112.db2.gz DSMSFORBEPAZLK-NHCUHLMSSA-N 1 1 400.494 3.607 50 0 HHAAMO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983624 560859232 /nfs/dbraw/zinc/85/92/32/560859232.db2.gz BWSRPTIUOMMWHH-VQTJNVASSA-N 1 1 420.912 3.872 50 0 HHAAMO CCOC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983624 560859234 /nfs/dbraw/zinc/85/92/34/560859234.db2.gz BWSRPTIUOMMWHH-VQTJNVASSA-N 1 1 420.912 3.872 50 0 HHAAMO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106924946 560894547 /nfs/dbraw/zinc/89/45/47/560894547.db2.gz XSLRBRZZVPLYQG-DENIHFKCSA-N 1 1 423.561 3.608 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022908179 568416330 /nfs/dbraw/zinc/41/63/30/568416330.db2.gz SBGMTXGIUVNJEQ-HXUWFJFHSA-N 1 1 423.513 3.742 50 0 HHAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022908179 568416331 /nfs/dbraw/zinc/41/63/31/568416331.db2.gz SBGMTXGIUVNJEQ-HXUWFJFHSA-N 1 1 423.513 3.742 50 0 HHAAMO CCOc1ccc(C[N@H+](Cc2cc(=O)n3nc(CC)sc3n2)CC(C)C)cc1 ZINC000046032485 568424767 /nfs/dbraw/zinc/42/47/67/568424767.db2.gz DVYOFASIWAVZQT-UHFFFAOYSA-N 1 1 400.548 3.770 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000048278986 568435889 /nfs/dbraw/zinc/43/58/89/568435889.db2.gz RGOQDHRZOFNZBQ-LJQANCHMSA-N 1 1 416.525 3.537 50 0 HHAAMO COc1cc2nc(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3)[nH]c(=O)c2cc1OC ZINC000049609465 568452478 /nfs/dbraw/zinc/45/24/78/568452478.db2.gz HBXUJHHTQGFELZ-LLVKDONJSA-N 1 1 407.392 3.810 50 0 HHAAMO CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328351 568471990 /nfs/dbraw/zinc/47/19/90/568471990.db2.gz FMXDDIVMBJCQBG-IBGZPJMESA-N 1 1 411.571 3.718 50 0 HHAAMO O=C(NC[C@H]1COc2ccccc2O1)N(CC1CC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000604404774 568492442 /nfs/dbraw/zinc/49/24/42/568492442.db2.gz RRGKJNYBUYKZSF-PCCBWWKXSA-N 1 1 413.562 3.513 50 0 HHAAMO COc1ccccc1[C@H](CNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)[NH+](C)C ZINC000023178312 568509275 /nfs/dbraw/zinc/50/92/75/568509275.db2.gz DNVGLCUSCXKUBD-TVXVBNPNSA-N 1 1 418.541 3.930 50 0 HHAAMO Cc1nc2cccnc2n1CC[NH+]1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000033282023 568513472 /nfs/dbraw/zinc/51/34/72/568513472.db2.gz VGDQFJJJJGMIAA-UHFFFAOYSA-N 1 1 412.925 3.551 50 0 HHAAMO C[C@@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288513 568597751 /nfs/dbraw/zinc/59/77/51/568597751.db2.gz WZLKIBZOHNCCPE-XMSQKQJNSA-N 1 1 406.555 3.825 50 0 HHAAMO C[C@H](NC(=O)c1cccnc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020288684 568597798 /nfs/dbraw/zinc/59/77/98/568597798.db2.gz XECQAFPUIUQOFF-WMZHIEFXSA-N 1 1 420.582 3.821 50 0 HHAAMO C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288506 568597956 /nfs/dbraw/zinc/59/79/56/568597956.db2.gz VAOBONOYLFKBSP-XMSQKQJNSA-N 1 1 406.555 3.825 50 0 HHAAMO COc1cc(-c2noc(C[N@@H+](C(C)C)[C@@H]3CCCC[C@@H]3O)n2)ccc1OC(F)F ZINC000095435057 568609556 /nfs/dbraw/zinc/60/95/56/568609556.db2.gz MFWWLKNNZOSBRR-CABCVRRESA-N 1 1 411.449 3.861 50 0 HHAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c1CO2 ZINC000020509950 568620869 /nfs/dbraw/zinc/62/08/69/568620869.db2.gz ASFBQLYRPFXKEQ-UHFFFAOYSA-N 1 1 403.482 3.721 50 0 HHAAMO CC(C)(C)OC(=O)Nc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000020938151 568652342 /nfs/dbraw/zinc/65/23/42/568652342.db2.gz TXULGZOXLBGRRP-UHFFFAOYSA-N 1 1 417.550 3.799 50 0 HHAAMO O=C1Nc2cc(Br)ccc2[C@H]1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000095997225 568679153 /nfs/dbraw/zinc/67/91/53/568679153.db2.gz ZZWMEUORAUBYTE-DOTOQJQBSA-N 1 1 405.292 3.759 50 0 HHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000096307215 568723682 /nfs/dbraw/zinc/72/36/82/568723682.db2.gz KTLUYIWHWOXAPF-CXOKCQFOSA-N 1 1 413.543 3.893 50 0 HHAAMO CCOC(=O)/C=C\c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000096307215 568723683 /nfs/dbraw/zinc/72/36/83/568723683.db2.gz KTLUYIWHWOXAPF-CXOKCQFOSA-N 1 1 413.543 3.893 50 0 HHAAMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000015042893 568748149 /nfs/dbraw/zinc/74/81/49/568748149.db2.gz BJFKSWVAQTXJLE-UHFFFAOYSA-N 1 1 401.894 3.643 50 0 HHAAMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000056903292 568821088 /nfs/dbraw/zinc/82/10/88/568821088.db2.gz KWNJDAAJXUHYPI-AABGKKOBSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000056903292 568821089 /nfs/dbraw/zinc/82/10/89/568821089.db2.gz KWNJDAAJXUHYPI-AABGKKOBSA-N 1 1 411.512 3.850 50 0 HHAAMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000056903292 568821091 /nfs/dbraw/zinc/82/10/91/568821091.db2.gz KWNJDAAJXUHYPI-AABGKKOBSA-N 1 1 411.512 3.850 50 0 HHAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000057121158 568824303 /nfs/dbraw/zinc/82/43/03/568824303.db2.gz ZAWMPHYQFCUMKA-ORHBMQHOSA-N 1 1 411.889 3.619 50 0 HHAAMO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000057121158 568824304 /nfs/dbraw/zinc/82/43/04/568824304.db2.gz ZAWMPHYQFCUMKA-ORHBMQHOSA-N 1 1 411.889 3.619 50 0 HHAAMO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057270679 568825435 /nfs/dbraw/zinc/82/54/35/568825435.db2.gz PAKCDGZQQXTOBB-JLTOFOAXSA-N 1 1 413.905 3.862 50 0 HHAAMO CCOC(=O)C1C(C[NH2+][C@H](C)c2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270679 568825436 /nfs/dbraw/zinc/82/54/36/568825436.db2.gz PAKCDGZQQXTOBB-JLTOFOAXSA-N 1 1 413.905 3.862 50 0 HHAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000057338581 568827320 /nfs/dbraw/zinc/82/73/20/568827320.db2.gz LVDKWBCUUOADLY-GOSISDBHSA-N 1 1 417.509 3.915 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075859 568831417 /nfs/dbraw/zinc/83/14/17/568831417.db2.gz WAZDEYWLRCMYRY-CZAAIQMYSA-N 1 1 411.571 3.649 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Cl)cc2Cl)N1)OCCCO4 ZINC000012507750 568839926 /nfs/dbraw/zinc/83/99/26/568839926.db2.gz ZJDASLCQXQQBBR-INIZCTEOSA-N 1 1 404.257 3.601 50 0 HHAAMO Cc1c(Nc2ccc(CNCC(C)(C)C[NH+](C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012597409 568869154 /nfs/dbraw/zinc/86/91/54/568869154.db2.gz QQIWPPKQZQHXSZ-UHFFFAOYSA-N 1 1 421.589 3.905 50 0 HHAAMO Cc1c(Nc2ccc(C[NH2+]CC(C)(C)CN(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012597409 568869156 /nfs/dbraw/zinc/86/91/56/568869156.db2.gz QQIWPPKQZQHXSZ-UHFFFAOYSA-N 1 1 421.589 3.905 50 0 HHAAMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052998 568872484 /nfs/dbraw/zinc/87/24/84/568872484.db2.gz MTDASFVQYTWGOX-AAEUAGOBSA-N 1 1 407.146 3.683 50 0 HHAAMO CCOc1ccc(NC(=S)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000058021455 568877918 /nfs/dbraw/zinc/87/79/18/568877918.db2.gz ZNVJPIFODIKJSC-UHFFFAOYSA-N 1 1 412.603 3.811 50 0 HHAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000004061883 568881601 /nfs/dbraw/zinc/88/16/01/568881601.db2.gz IYKRYPCAWRTXRE-HVCNVCAESA-N 1 1 408.542 3.680 50 0 biogenic HHAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004082586 568939382 /nfs/dbraw/zinc/93/93/82/568939382.db2.gz VLFJMSSAAUTMQU-HKBOAZHASA-N 1 1 400.519 3.595 50 0 biogenic HHAAMO CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000004087155 568940813 /nfs/dbraw/zinc/94/08/13/568940813.db2.gz XTLQMTLRCHVVMQ-UHFFFAOYSA-N 1 1 401.532 3.653 50 0 HHAAMO CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000004087155 568940815 /nfs/dbraw/zinc/94/08/15/568940815.db2.gz XTLQMTLRCHVVMQ-UHFFFAOYSA-N 1 1 401.532 3.653 50 0 HHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 ZINC000004087134 568940861 /nfs/dbraw/zinc/94/08/61/568940861.db2.gz HDEGEXXVGRJBLB-UHFFFAOYSA-N 1 1 411.449 3.885 50 0 HHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 ZINC000004087134 568940862 /nfs/dbraw/zinc/94/08/62/568940862.db2.gz HDEGEXXVGRJBLB-UHFFFAOYSA-N 1 1 411.449 3.885 50 0 HHAAMO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000012755325 568942670 /nfs/dbraw/zinc/94/26/70/568942670.db2.gz QGORJGSYXQPFLI-HXUWFJFHSA-N 1 1 408.951 3.854 50 0 HHAAMO Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007985682 568964563 /nfs/dbraw/zinc/96/45/63/568964563.db2.gz LEHLLFRASBBRPG-QFIPXVFZSA-N 1 1 419.525 3.804 50 0 HHAAMO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000015681644 568968160 /nfs/dbraw/zinc/96/81/60/568968160.db2.gz CKMVAMCFAFFNPL-KRWDZBQOSA-N 1 1 409.509 3.715 50 0 HHAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccco1 ZINC000008135850 568976931 /nfs/dbraw/zinc/97/69/31/568976931.db2.gz ZHZWNLQVBMAGOQ-FQEVSTJZSA-N 1 1 404.470 3.539 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008230690 568983925 /nfs/dbraw/zinc/98/39/25/568983925.db2.gz VCVGDGPQLZCLAB-FQEVSTJZSA-N 1 1 408.933 3.898 50 0 HHAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@H](C)O2 ZINC000011841875 568987224 /nfs/dbraw/zinc/98/72/24/568987224.db2.gz XPTRGIZHCYWHAA-FNZWTVRRSA-N 1 1 422.569 3.940 50 0 HHAAMO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1OC ZINC000015779136 569001697 /nfs/dbraw/zinc/00/16/97/569001697.db2.gz UCVUATRIKTZVLR-UHFFFAOYSA-N 1 1 420.469 3.524 50 0 HHAAMO COc1cccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1OC ZINC000015779136 569001699 /nfs/dbraw/zinc/00/16/99/569001699.db2.gz UCVUATRIKTZVLR-UHFFFAOYSA-N 1 1 420.469 3.524 50 0 HHAAMO O=C(NCC[N@@H+](CCc1ccccc1)Cc1ccco1)N[C@H]1COc2ccccc2C1 ZINC000015787327 569007902 /nfs/dbraw/zinc/00/79/02/569007902.db2.gz STGQYHAYOMRZSY-JOCHJYFZSA-N 1 1 419.525 3.627 50 0 HHAAMO CC(C)(C)C[N@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO ZINC000104367791 569008545 /nfs/dbraw/zinc/00/85/45/569008545.db2.gz UYRROJFNQPSPQD-HXUWFJFHSA-N 1 1 402.970 3.712 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(SC)c3)C[C@H]2CCO)c(F)c1 ZINC000104534342 569009042 /nfs/dbraw/zinc/00/90/42/569009042.db2.gz BVBRCFFEJDSXBO-LJQANCHMSA-N 1 1 404.551 3.625 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(SC)c3)C[C@H]2CCO)c(F)c1 ZINC000104534342 569009043 /nfs/dbraw/zinc/00/90/43/569009043.db2.gz BVBRCFFEJDSXBO-LJQANCHMSA-N 1 1 404.551 3.625 50 0 HHAAMO Cc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@H]2CCO)o1 ZINC000104631412 569009048 /nfs/dbraw/zinc/00/90/48/569009048.db2.gz IDWBYHULMNZFKB-HXUWFJFHSA-N 1 1 410.562 3.663 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@H]2CCO)o1 ZINC000104631412 569009049 /nfs/dbraw/zinc/00/90/49/569009049.db2.gz IDWBYHULMNZFKB-HXUWFJFHSA-N 1 1 410.562 3.663 50 0 HHAAMO CCOc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1 ZINC000104558936 569009095 /nfs/dbraw/zinc/00/90/95/569009095.db2.gz VZJSDKBTQGQFNB-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1 ZINC000104558936 569009096 /nfs/dbraw/zinc/00/90/96/569009096.db2.gz VZJSDKBTQGQFNB-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO CCOc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1 ZINC000104558936 569009097 /nfs/dbraw/zinc/00/90/97/569009097.db2.gz VZJSDKBTQGQFNB-HSZRJFAPSA-N 1 1 420.557 3.544 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1C ZINC000107100173 569009256 /nfs/dbraw/zinc/00/92/56/569009256.db2.gz CXTRHKLLVOKKDK-HSZRJFAPSA-N 1 1 423.532 3.760 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1C ZINC000107100173 569009257 /nfs/dbraw/zinc/00/92/57/569009257.db2.gz CXTRHKLLVOKKDK-HSZRJFAPSA-N 1 1 423.532 3.760 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000012887957 569019628 /nfs/dbraw/zinc/01/96/28/569019628.db2.gz IKWMRTFMWPJQAB-AWEZNQCLSA-N 1 1 414.307 3.661 50 0 HHAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000012887957 569019629 /nfs/dbraw/zinc/01/96/29/569019629.db2.gz IKWMRTFMWPJQAB-AWEZNQCLSA-N 1 1 414.307 3.661 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397959 569035004 /nfs/dbraw/zinc/03/50/04/569035004.db2.gz LTNFSNGXIZXJMD-RBBKRZOGSA-N 1 1 421.589 3.741 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000229482973 569040534 /nfs/dbraw/zinc/04/05/34/569040534.db2.gz CIUAZHNDAIVYBK-BEFAXECRSA-N 1 1 421.522 3.816 50 0 HHAAMO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000229482973 569040535 /nfs/dbraw/zinc/04/05/35/569040535.db2.gz CIUAZHNDAIVYBK-BEFAXECRSA-N 1 1 421.522 3.816 50 0 HHAAMO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035871204 569064012 /nfs/dbraw/zinc/06/40/12/569064012.db2.gz PCQKJBXXDHGCIA-PZJWPPBQSA-N 1 1 417.475 3.705 50 0 HHAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000089526078 569064212 /nfs/dbraw/zinc/06/42/12/569064212.db2.gz OPABPTVSICDWEI-OALUTQOASA-N 1 1 421.501 3.675 50 0 HHAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000089526078 569064213 /nfs/dbraw/zinc/06/42/13/569064213.db2.gz OPABPTVSICDWEI-OALUTQOASA-N 1 1 421.501 3.675 50 0 HHAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)cc1OC ZINC000036096010 569090070 /nfs/dbraw/zinc/09/00/70/569090070.db2.gz IVYFEPITMXGQEA-OAQYLSRUSA-N 1 1 405.510 3.879 50 0 HHAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)cc(C)[nH+]1 ZINC000064801760 569097906 /nfs/dbraw/zinc/09/79/06/569097906.db2.gz PBEVKVDIICPBMV-UHFFFAOYSA-N 1 1 401.467 3.900 50 0 HHAAMO Cc1cccc(N2CCN(C(=O)C3=CC[N@@H+](Cc4cccc(F)c4)CC3)CC2)c1C ZINC000064818076 569101289 /nfs/dbraw/zinc/10/12/89/569101289.db2.gz MDFBFYJKSOATBI-UHFFFAOYSA-N 1 1 407.533 3.923 50 0 HHAAMO C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036250255 569119136 /nfs/dbraw/zinc/11/91/36/569119136.db2.gz OFTVIZDMACCCLI-XMSQKQJNSA-N 1 1 415.553 3.543 50 0 HHAAMO Cc1ccc(C)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](C)CC2)c1 ZINC000036344562 569142675 /nfs/dbraw/zinc/14/26/75/569142675.db2.gz BFVRQDAEBCGMMT-QHCPKHFHSA-N 1 1 424.976 3.882 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036344436 569142708 /nfs/dbraw/zinc/14/27/08/569142708.db2.gz RUZBFLPRLXXVDB-NRFANRHFSA-N 1 1 405.498 3.887 50 0 HHAAMO CC[NH+]1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1 ZINC000006900748 569177655 /nfs/dbraw/zinc/17/76/55/569177655.db2.gz RURXQRPHKWGLND-UHFFFAOYSA-N 1 1 411.509 3.865 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065136471 569183386 /nfs/dbraw/zinc/18/33/86/569183386.db2.gz NBYGLADCNQZALG-MOPGFXCFSA-N 1 1 418.557 3.840 50 0 HHAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065136474 569183406 /nfs/dbraw/zinc/18/34/06/569183406.db2.gz NBYGLADCNQZALG-OALUTQOASA-N 1 1 418.557 3.840 50 0 HHAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(N(C)C)cc4)CC3)n2)c1 ZINC000065184126 569191190 /nfs/dbraw/zinc/19/11/90/569191190.db2.gz PLSXZBSNDFUROP-UHFFFAOYSA-N 1 1 419.529 3.929 50 0 HHAAMO Cc1ccc(CNC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000065184232 569191308 /nfs/dbraw/zinc/19/13/08/569191308.db2.gz DLKCVAYATDRPBI-UHFFFAOYSA-N 1 1 408.477 3.680 50 0 HHAAMO O=C(N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1)C1(c2ccccc2)CC1 ZINC000065200183 569193656 /nfs/dbraw/zinc/19/36/56/569193656.db2.gz FKUPQOJLUSFTDQ-UHFFFAOYSA-N 1 1 410.587 3.509 50 0 HHAAMO O=C(Cn1ccc2cc(Br)ccc21)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036584392 569202989 /nfs/dbraw/zinc/20/29/89/569202989.db2.gz SQCUUNGZPMCNPU-SJLPKXTDSA-N 1 1 404.352 3.785 50 0 HHAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007191852 569228092 /nfs/dbraw/zinc/22/80/92/569228092.db2.gz RDSJYKRISOPYFL-HDICACEKSA-N 1 1 418.607 3.709 50 0 HHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000065474276 569231210 /nfs/dbraw/zinc/23/12/10/569231210.db2.gz SHTFPMVMGLVGSN-VNHYZAJKSA-N 1 1 419.360 3.614 50 0 HHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000007443625 569239297 /nfs/dbraw/zinc/23/92/97/569239297.db2.gz XMUMPVWAYLZLJU-AWEZNQCLSA-N 1 1 416.319 3.645 50 0 HHAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000007443625 569239298 /nfs/dbraw/zinc/23/92/98/569239298.db2.gz XMUMPVWAYLZLJU-AWEZNQCLSA-N 1 1 416.319 3.645 50 0 HHAAMO COCCn1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2cc(Cl)ccc21 ZINC000170613457 569246875 /nfs/dbraw/zinc/24/68/75/569246875.db2.gz IRHKNBAMMUEENP-LPHOPBHVSA-N 1 1 403.954 3.935 50 0 HHAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000252022269 569272896 /nfs/dbraw/zinc/27/28/96/569272896.db2.gz ZIXHHZJJVCNDCX-JPYJTQIMSA-N 1 1 403.530 3.796 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002315646 569373007 /nfs/dbraw/zinc/37/30/07/569373007.db2.gz PFNAEGRDQSMNIC-CYBMUJFWSA-N 1 1 411.889 3.993 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002315646 569373009 /nfs/dbraw/zinc/37/30/09/569373009.db2.gz PFNAEGRDQSMNIC-CYBMUJFWSA-N 1 1 411.889 3.993 50 0 HHAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000079046114 569425107 /nfs/dbraw/zinc/42/51/07/569425107.db2.gz SIXCHSTYCOPRDB-AVRDEDQJSA-N 1 1 421.545 3.591 50 0 HHAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000079193385 569429472 /nfs/dbraw/zinc/42/94/72/569429472.db2.gz QKMHQQXXJNRXHN-YADARESESA-N 1 1 415.537 3.985 50 0 biogenic HHAAMO COc1ccc(Cl)c2c(=O)c(CN3CC[NH+](Cc4ccccc4)CC3)c(C)[nH]c12 ZINC000019793516 569430066 /nfs/dbraw/zinc/43/00/66/569430066.db2.gz PGHOCJIPZFHMDX-UHFFFAOYSA-N 1 1 411.933 3.816 50 0 HHAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1SCc1ccc(F)cc1 ZINC000670473389 571105853 /nfs/dbraw/zinc/10/58/53/571105853.db2.gz MVCVYKBXPNDQLF-LJQANCHMSA-N 1 1 402.535 3.695 50 0 HHAAMO C[NH+](C)C1(CNC[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1 ZINC000039939564 571135089 /nfs/dbraw/zinc/13/50/89/571135089.db2.gz FBVDUDWRHCXGOI-JOCHJYFZSA-N 1 1 410.558 3.511 50 0 HHAAMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000040150038 571198479 /nfs/dbraw/zinc/19/84/79/571198479.db2.gz BMDFZRATMIRXRR-QFIPXVFZSA-N 1 1 409.530 3.688 50 0 HHAAMO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000040156444 571203358 /nfs/dbraw/zinc/20/33/58/571203358.db2.gz HARZTEAIRXPEDL-CVDCTZTESA-N 1 1 409.574 3.988 50 0 HHAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000070006508 571253660 /nfs/dbraw/zinc/25/36/60/571253660.db2.gz KSDTYAHGFFNPSF-UHFFFAOYSA-N 1 1 419.504 3.509 50 0 HHAAMO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000070006508 571253663 /nfs/dbraw/zinc/25/36/63/571253663.db2.gz KSDTYAHGFFNPSF-UHFFFAOYSA-N 1 1 419.504 3.509 50 0 HHAAMO COc1ccc(-n2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)c3ccccc3c2=O)cc1 ZINC000009433772 571258597 /nfs/dbraw/zinc/25/85/97/571258597.db2.gz MYHKXXARHDPVAU-GOSISDBHSA-N 1 1 419.525 3.604 50 0 HHAAMO COC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c1 ZINC000009513310 571264559 /nfs/dbraw/zinc/26/45/59/571264559.db2.gz UFNSBUCSEMSOOD-QFIPXVFZSA-N 1 1 405.494 3.934 50 0 HHAAMO CCOC(=O)c1c2ccccc2oc1C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000071846821 571303420 /nfs/dbraw/zinc/30/34/20/571303420.db2.gz MDHCWIUMGNQUHP-UHFFFAOYSA-N 1 1 411.458 3.757 50 0 HHAAMO C[C@@H](CNC(=O)CN1CCCCC1)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000011783223 962188910 /nfs/dbraw/zinc/18/89/10/962188910.db2.gz MFHYMMHOTKVIML-IBGZPJMESA-N 1 1 415.603 3.750 50 0 HHAAMO C[C@@H](CNC(=O)CN1CCCCC1)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000011783223 962188921 /nfs/dbraw/zinc/18/89/21/962188921.db2.gz MFHYMMHOTKVIML-IBGZPJMESA-N 1 1 415.603 3.750 50 0 HHAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011818876 962197436 /nfs/dbraw/zinc/19/74/36/962197436.db2.gz SVWSPRCQGXZVBH-SFHVURJKSA-N 1 1 412.925 3.570 50 0 HHAAMO Cc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)nc1C ZINC000011820119 962199130 /nfs/dbraw/zinc/19/91/30/962199130.db2.gz YDEAGFNIGFKKBC-LJQANCHMSA-N 1 1 404.518 3.643 50 0 HHAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000011910227 962207082 /nfs/dbraw/zinc/20/70/82/962207082.db2.gz AHEOTJSPZQIZCU-DENIHFKCSA-N 1 1 406.526 3.781 50 0 HHAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCc1cccc(Cl)c1 ZINC000011933227 962210263 /nfs/dbraw/zinc/21/02/63/962210263.db2.gz GMOVCRIBYMJYAD-JOCHJYFZSA-N 1 1 421.928 3.500 50 0 HHAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCc1cccc(Cl)c1 ZINC000011933227 962210278 /nfs/dbraw/zinc/21/02/78/962210278.db2.gz GMOVCRIBYMJYAD-JOCHJYFZSA-N 1 1 421.928 3.500 50 0 HHAAMO COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012027885 962224662 /nfs/dbraw/zinc/22/46/62/962224662.db2.gz HAPBVQXNBMUOIG-INIZCTEOSA-N 1 1 410.967 3.535 50 0 HHAAMO CCCC[C@H]1C[N@@H+](CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 ZINC000012244175 962257485 /nfs/dbraw/zinc/25/74/85/962257485.db2.gz JFXLYMAPSWZBQO-NRFANRHFSA-N 1 1 406.530 3.794 50 0 HHAAMO CCc1ccc(CN(C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)nc1 ZINC000012318595 962270876 /nfs/dbraw/zinc/27/08/76/962270876.db2.gz IALIRZZGQASOCF-DEOSSOPVSA-N 1 1 411.590 3.892 50 0 HHAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 ZINC000012433975 962278819 /nfs/dbraw/zinc/27/88/19/962278819.db2.gz VHPVLUDDAXPWNQ-LJQANCHMSA-N 1 1 408.477 3.619 50 0 HHAAMO Cc1cc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)c(C)cc1Cl ZINC000012434547 962279373 /nfs/dbraw/zinc/27/93/73/962279373.db2.gz LAPZPUGWSBIQQC-IBGZPJMESA-N 1 1 421.994 3.679 50 0 HHAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000012571633 962293201 /nfs/dbraw/zinc/29/32/01/962293201.db2.gz IZBOBCVICSPNKG-HSZRJFAPSA-N 1 1 405.542 3.593 50 0 HHAAMO Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2C)no1 ZINC000012911955 962346690 /nfs/dbraw/zinc/34/66/90/962346690.db2.gz VHPYCMSXZVWQSC-NELJVSICSA-N 1 1 404.514 3.919 50 0 HHAAMO Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c2C)no1 ZINC000012911955 962346708 /nfs/dbraw/zinc/34/67/08/962346708.db2.gz VHPYCMSXZVWQSC-NELJVSICSA-N 1 1 404.514 3.919 50 0 HHAAMO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014950512 962612982 /nfs/dbraw/zinc/61/29/82/962612982.db2.gz SLARTPYQDGFRHH-OAQYLSRUSA-N 1 1 421.545 3.820 50 0 HHAAMO Cc1csc(C[N@H+](C)[C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000014965744 962614298 /nfs/dbraw/zinc/61/42/98/962614298.db2.gz WMDDMEQNLBPIGF-OAHLLOKOSA-N 1 1 421.950 3.847 50 0 HHAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000019794994 963374861 /nfs/dbraw/zinc/37/48/61/963374861.db2.gz WTXQTXFLCNYJEU-IBGZPJMESA-N 1 1 418.541 3.529 50 0 HHAAMO COc1ccc(F)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)c1 ZINC000020207753 963384824 /nfs/dbraw/zinc/38/48/24/963384824.db2.gz XMBQAQFJJRDWMU-JBUDQFAYSA-N 1 1 410.489 3.781 50 0 HHAAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4F)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000020915575 963403098 /nfs/dbraw/zinc/40/30/98/963403098.db2.gz SFPUNIYHBKSXDS-OWSXEPHWSA-N 1 1 410.489 3.781 50 0 HHAAMO C[N@H+](Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O)C[C@@H](O)c1ccccc1 ZINC000023129127 963772312 /nfs/dbraw/zinc/77/23/12/963772312.db2.gz TWPQOYFHDOVDEM-XMMPIXPASA-N 1 1 417.484 3.749 50 0 HHAAMO CN(Cc1nccs1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000055195679 965781135 /nfs/dbraw/zinc/78/11/35/965781135.db2.gz TYTDMXQGAITOOJ-NRFANRHFSA-N 1 1 411.571 3.647 50 0 HHAAMO CN(Cc1nccs1)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000055195675 965781532 /nfs/dbraw/zinc/78/15/32/965781532.db2.gz TYTDMXQGAITOOJ-OAQYLSRUSA-N 1 1 411.571 3.647 50 0 HHAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000055325161 965818619 /nfs/dbraw/zinc/81/86/19/965818619.db2.gz HFHVUMHYWXULLZ-QGZVFWFLSA-N 1 1 402.564 3.837 50 0 HHAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000039399475 966492351 /nfs/dbraw/zinc/49/23/51/966492351.db2.gz AHEOTJSPZQIZCU-KNQAVFIVSA-N 1 1 406.526 3.781 50 0 HHAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@H](C)O1 ZINC000084706104 969037922 /nfs/dbraw/zinc/03/79/22/969037922.db2.gz SYXJJCPLCGFMTF-GLGQINJFSA-N 1 1 413.381 3.624 50 0 HHAAMO O=C(/C=C\c1ccccc1Br)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000098003988 969184641 /nfs/dbraw/zinc/18/46/41/969184641.db2.gz LYIMOACYOAKTKK-KTKRTIGZSA-N 1 1 415.331 3.611 50 0 HHAAMO C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108351344 969376194 /nfs/dbraw/zinc/37/61/94/969376194.db2.gz VZUKITQPOHGDGQ-NIKGAXFTSA-N 1 1 407.297 3.909 50 0 HHAAMO CC(C)NC(=O)c1ccccc1OC[C@H]1CCC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000169774386 970478415 /nfs/dbraw/zinc/47/84/15/970478415.db2.gz JIBPTQLOXHFNGF-IBGZPJMESA-N 1 1 416.562 3.601 50 0 HHAAMO Cc1noc([C@@]23CN(Cc4ccccc4)C[C@@H]2CC[N@@H+](CCc2ccccc2)C3)n1 ZINC000257193338 970625161 /nfs/dbraw/zinc/62/51/61/970625161.db2.gz RNSCFHKRIUVVGR-ZCYQVOJMSA-N 1 1 402.542 3.696 50 0 HHAAMO Cc1noc([C@@]23C[N@H+](Cc4ccccc4)C[C@@H]2CCN(CCc2ccccc2)C3)n1 ZINC000257193338 970625166 /nfs/dbraw/zinc/62/51/66/970625166.db2.gz RNSCFHKRIUVVGR-ZCYQVOJMSA-N 1 1 402.542 3.696 50 0 HHAAMO Cc1noc([C@@]23C[N@@H+](Cc4ccccc4)C[C@@H]2CCN(CCc2ccccc2)C3)n1 ZINC000257193338 970625169 /nfs/dbraw/zinc/62/51/69/970625169.db2.gz RNSCFHKRIUVVGR-ZCYQVOJMSA-N 1 1 402.542 3.696 50 0 HHAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000299759312 970720826 /nfs/dbraw/zinc/72/08/26/970720826.db2.gz QJPVIDDMDHFWNL-RUZDIDTESA-N 1 1 412.493 3.948 50 0 HHAAMO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1c[nH]nc1-c1ccccc1)CCO2 ZINC000299759312 970720834 /nfs/dbraw/zinc/72/08/34/970720834.db2.gz QJPVIDDMDHFWNL-RUZDIDTESA-N 1 1 412.493 3.948 50 0 HHAAMO c1cc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc2c1OCO2 ZINC000002888917 132259234 /nfs/dbraw/zinc/25/92/34/132259234.db2.gz PDZQPIFPVCDYJP-UHFFFAOYSA-N 1 1 408.527 3.621 50 0 HHAAMO CC[N@@H+](CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21)Cc1ccccc1 ZINC000006798325 132317239 /nfs/dbraw/zinc/31/72/39/132317239.db2.gz NSXNMKUVSIUFLU-HXUWFJFHSA-N 1 1 423.557 3.609 50 0 HHAAMO CSCc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)o1 ZINC000012320569 132358510 /nfs/dbraw/zinc/35/85/10/132358510.db2.gz FUHPOASCSDVPQA-LJQANCHMSA-N 1 1 413.587 3.878 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012516018 132361388 /nfs/dbraw/zinc/36/13/88/132361388.db2.gz IIHHONKFTAYXLG-HNNXBMFYSA-N 1 1 405.901 3.775 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012516018 132361390 /nfs/dbraw/zinc/36/13/90/132361390.db2.gz IIHHONKFTAYXLG-HNNXBMFYSA-N 1 1 405.901 3.775 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012516016 132361407 /nfs/dbraw/zinc/36/14/07/132361407.db2.gz IIHHONKFTAYXLG-OAHLLOKOSA-N 1 1 405.901 3.775 50 0 HHAAMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012516016 132361409 /nfs/dbraw/zinc/36/14/09/132361409.db2.gz IIHHONKFTAYXLG-OAHLLOKOSA-N 1 1 405.901 3.775 50 0 HHAAMO CC[N@@H+]1CCc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)sc2C1 ZINC000032969101 521725250 /nfs/dbraw/zinc/72/52/50/521725250.db2.gz VIEYDACYJQWRMO-UHFFFAOYSA-N 1 1 401.923 3.921 50 0 HHAAMO CC[N@H+]1CCc2nc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)sc2C1 ZINC000032969101 521725251 /nfs/dbraw/zinc/72/52/51/521725251.db2.gz VIEYDACYJQWRMO-UHFFFAOYSA-N 1 1 401.923 3.921 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccco1 ZINC000043870059 522078142 /nfs/dbraw/zinc/07/81/42/522078142.db2.gz PKWGVRDOLLTRQT-MRXNPFEDSA-N 1 1 407.396 3.909 50 0 HHAAMO C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000032686444 523019316 /nfs/dbraw/zinc/01/93/16/523019316.db2.gz HCPYGECYHALWDB-DHIUTWEWSA-N 1 1 419.521 3.925 50 0 HHAAMO C[NH+]1CCN(c2nc(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCO4)s2)CC1 ZINC000032666084 523927505 /nfs/dbraw/zinc/92/75/05/523927505.db2.gz XZJUWZDIPOLSFT-UHFFFAOYSA-N 1 1 422.510 3.543 50 0 HHAAMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000032722553 524909348 /nfs/dbraw/zinc/90/93/48/524909348.db2.gz GJOOTGPPTQJLDA-OALUTQOASA-N 1 1 415.965 3.743 50 0 HHAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000032824898 524989540 /nfs/dbraw/zinc/98/95/40/524989540.db2.gz VGDGFIAODXQEMU-HDICACEKSA-N 1 1 406.530 3.535 50 0 HHAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000032824898 524989548 /nfs/dbraw/zinc/98/95/48/524989548.db2.gz VGDGFIAODXQEMU-HDICACEKSA-N 1 1 406.530 3.535 50 0 HHAAMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032777584 526046220 /nfs/dbraw/zinc/04/62/20/526046220.db2.gz RFMNTIGAZSXKKY-LBPRGKRZSA-N 1 1 403.331 3.713 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000043136023 527376051 /nfs/dbraw/zinc/37/60/51/527376051.db2.gz VRARULXGQAFMBJ-SFHVURJKSA-N 1 1 414.513 3.908 50 0 HHAAMO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000043136023 527376060 /nfs/dbraw/zinc/37/60/60/527376060.db2.gz VRARULXGQAFMBJ-SFHVURJKSA-N 1 1 414.513 3.908 50 0 HHAAMO O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716143 527604514 /nfs/dbraw/zinc/60/45/14/527604514.db2.gz BFKSYRMEELUSQV-JXMROGBWSA-N 1 1 415.331 3.611 50 0 HHAAMO Cc1nn(C)c2nc(C)c(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)cc12 ZINC000032272934 527683731 /nfs/dbraw/zinc/68/37/31/527683731.db2.gz ZWAGGIFHFVVTCL-UHFFFAOYSA-N 1 1 419.554 3.758 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC000000755641 557076865 /nfs/dbraw/zinc/07/68/65/557076865.db2.gz RXDPONQDDAGSEL-CQSZACIVSA-N 1 1 413.356 3.547 50 0 HHAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC000000755641 557076870 /nfs/dbraw/zinc/07/68/70/557076870.db2.gz RXDPONQDDAGSEL-CQSZACIVSA-N 1 1 413.356 3.547 50 0 HHAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1F ZINC000034678272 557366320 /nfs/dbraw/zinc/36/63/20/557366320.db2.gz YJYNSTLNROBGBT-UHFFFAOYSA-N 1 1 408.477 3.692 50 0 HHAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)nc1 ZINC000034681985 557383993 /nfs/dbraw/zinc/38/39/93/557383993.db2.gz OJZRJPOVYSQSQK-UHFFFAOYSA-N 1 1 422.554 3.873 50 0 HHAAMO CCOc1ccc(CC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000004753408 557593094 /nfs/dbraw/zinc/59/30/94/557593094.db2.gz UAHRFNAPEDKLCH-QFIPXVFZSA-N 1 1 410.489 3.811 50 0 HHAAMO Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c(C)c1 ZINC000011788709 558276847 /nfs/dbraw/zinc/27/68/47/558276847.db2.gz UPWQQFOMBKJQLR-UHFFFAOYSA-N 1 1 400.906 3.920 50 0 HHAAMO COc1ccc(CN2CC[NH+](Cc3ccccc3OC)CC2)cc1Br ZINC000019781655 558281146 /nfs/dbraw/zinc/28/11/46/558281146.db2.gz PFAAYDKCJPOGKX-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@H+]1CCc1ccccc1 ZINC000019792502 558283377 /nfs/dbraw/zinc/28/33/77/558283377.db2.gz LSHMMYOHQJABAR-JOCHJYFZSA-N 1 1 407.583 3.921 50 0 HHAAMO CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1NCCC[NH+]1CCOCC1 ZINC000019792955 558283616 /nfs/dbraw/zinc/28/36/16/558283616.db2.gz DAOULEHZLBPMOR-UHFFFAOYSA-N 1 1 411.424 3.565 50 0 HHAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011911347 558296914 /nfs/dbraw/zinc/29/69/14/558296914.db2.gz XBPHFAJUQINSHC-HNNXBMFYSA-N 1 1 421.526 3.635 50 0 HHAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012090955 558324243 /nfs/dbraw/zinc/32/42/43/558324243.db2.gz SAENULSHNODELC-FQEVSTJZSA-N 1 1 423.948 3.589 50 0 HHAAMO O=C([C@H]1COc2ccccc2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020100811 558331749 /nfs/dbraw/zinc/33/17/49/558331749.db2.gz WTTCZNIWPGURJA-XMMPIXPASA-N 1 1 414.505 3.760 50 0 HHAAMO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209412 558347079 /nfs/dbraw/zinc/34/70/79/558347079.db2.gz ACZGIABLTCIOOI-OAQYLSRUSA-N 1 1 421.511 3.708 50 0 HHAAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209412 558347082 /nfs/dbraw/zinc/34/70/82/558347082.db2.gz ACZGIABLTCIOOI-OAQYLSRUSA-N 1 1 421.511 3.708 50 0 HHAAMO FC(F)(F)c1cccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1 ZINC000020412857 558360968 /nfs/dbraw/zinc/36/09/68/558360968.db2.gz UJXPRLXTFQTKTL-QGZVFWFLSA-N 1 1 401.498 3.979 50 0 HHAAMO COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 ZINC000012300822 558370590 /nfs/dbraw/zinc/37/05/90/558370590.db2.gz KAUUPZPROPIMAH-HXUWFJFHSA-N 1 1 418.497 3.957 50 0 HHAAMO Cc1cn2c(C(=O)N(C)C[C@@H]3CCC[N@@H+](CCc4ccccc4F)C3)csc2n1 ZINC000012302461 558372034 /nfs/dbraw/zinc/37/20/34/558372034.db2.gz MCHJQKPCCKVFAU-KRWDZBQOSA-N 1 1 414.550 3.870 50 0 HHAAMO C[C@@H]([NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12)c1cnn(-c2ccccc2)c1 ZINC000012305294 558374524 /nfs/dbraw/zinc/37/45/24/558374524.db2.gz CKNZEJMNSFSEJG-MRXNPFEDSA-N 1 1 420.542 3.668 50 0 HHAAMO CCC[N@@H+](Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F)CC1CC1 ZINC000012434421 558408338 /nfs/dbraw/zinc/40/83/38/558408338.db2.gz NAPMPEQWTOXWIQ-UHFFFAOYSA-N 1 1 407.555 3.875 50 0 HHAAMO CCC[N@H+](Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F)CC1CC1 ZINC000012434421 558408339 /nfs/dbraw/zinc/40/83/39/558408339.db2.gz NAPMPEQWTOXWIQ-UHFFFAOYSA-N 1 1 407.555 3.875 50 0 HHAAMO Cc1sc2nc(CSc3ccccc3)nc(N3CC[NH+](CCO)CC3)c2c1C ZINC000021762801 558448009 /nfs/dbraw/zinc/44/80/09/558448009.db2.gz FZLPTWWIBWLYHH-UHFFFAOYSA-N 1 1 414.600 3.715 50 0 HHAAMO CCc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1 ZINC000021795178 558449186 /nfs/dbraw/zinc/44/91/86/558449186.db2.gz IAKKFXUIQNFSIV-UHFFFAOYSA-N 1 1 408.550 3.692 50 0 HHAAMO CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000012711021 558452395 /nfs/dbraw/zinc/45/23/95/558452395.db2.gz PWYHYTIAALABGN-JOCHJYFZSA-N 1 1 408.542 3.681 50 0 HHAAMO COc1cc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc(OC)c1OC ZINC000012790163 558464957 /nfs/dbraw/zinc/46/49/57/558464957.db2.gz SKJSOODHJJNBEF-KBPBESRZSA-N 1 1 419.547 3.899 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000012790939 558465617 /nfs/dbraw/zinc/46/56/17/558465617.db2.gz NUAWPUCMSTWIJO-WOJBJXKFSA-N 1 1 419.928 3.653 50 0 HHAAMO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC1 ZINC000012800724 558471588 /nfs/dbraw/zinc/47/15/88/558471588.db2.gz NDNBYKMYEDEHPI-UHFFFAOYSA-N 1 1 411.571 3.851 50 0 HHAAMO CC(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)[NH+]1CCOCC1 ZINC000022510895 558492932 /nfs/dbraw/zinc/49/29/32/558492932.db2.gz OIHKHIWCECMZFT-FQEVSTJZSA-N 1 1 424.570 3.687 50 0 HHAAMO Cc1cc(C(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c(C)n1C[C@@H]1CCCO1 ZINC000022775187 558509263 /nfs/dbraw/zinc/50/92/63/558509263.db2.gz XHGLQXJONVGWJB-QHCPKHFHSA-N 1 1 409.574 3.593 50 0 HHAAMO C[C@H](C(=O)Nc1ccccc1F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022793332 558512096 /nfs/dbraw/zinc/51/20/96/558512096.db2.gz NWUVANBHZWYTNL-MRXNPFEDSA-N 1 1 405.901 3.503 50 0 HHAAMO CCc1cc2c(C[N@H+](C)Cc3ccc(OC)c(OC)c3OC)cc(=O)oc2cc1O ZINC000013112860 558515495 /nfs/dbraw/zinc/51/54/95/558515495.db2.gz MQZMJCVPVHBRCZ-UHFFFAOYSA-N 1 1 413.470 3.719 50 0 HHAAMO CCc1cc2c(C[N@@H+](C)Cc3ccc(OC)c(OC)c3OC)cc(=O)oc2cc1O ZINC000013112860 558515497 /nfs/dbraw/zinc/51/54/97/558515497.db2.gz MQZMJCVPVHBRCZ-UHFFFAOYSA-N 1 1 413.470 3.719 50 0 HHAAMO Cc1cc(C)c(C[N@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000022852437 558517239 /nfs/dbraw/zinc/51/72/39/558517239.db2.gz LTVYVQZJRFFSKI-OAQYLSRUSA-N 1 1 410.587 3.619 50 0 HHAAMO COc1cccc2c1Sc1ccc(Cl)cc1C[C@H]2N1CC[NH+](CCO)CC1 ZINC000022865528 558517853 /nfs/dbraw/zinc/51/78/53/558517853.db2.gz XUWMGDJVYVJBHG-GOSISDBHSA-N 1 1 404.963 3.707 50 0 HHAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000022931597 558524379 /nfs/dbraw/zinc/52/43/79/558524379.db2.gz HZZYFVKJWCWZMV-OAHLLOKOSA-N 1 1 407.967 3.863 50 0 HHAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@@H+]1Cc1ccsc1 ZINC000022932625 558524902 /nfs/dbraw/zinc/52/49/02/558524902.db2.gz JWUHAPRIEALELE-IBGZPJMESA-N 1 1 416.978 3.656 50 0 HHAAMO OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@H+]1Cc1ccsc1 ZINC000022932625 558524905 /nfs/dbraw/zinc/52/49/05/558524905.db2.gz JWUHAPRIEALELE-IBGZPJMESA-N 1 1 416.978 3.656 50 0 HHAAMO CC(=O)Nc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3cccs3)C2)cc1 ZINC000023175945 558540388 /nfs/dbraw/zinc/54/03/88/558540388.db2.gz BHCVACUNDQVCDZ-HXUWFJFHSA-N 1 1 410.543 3.870 50 0 HHAAMO Cn1cc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)c(-c2ccccc2F)n1 ZINC000023358794 558551330 /nfs/dbraw/zinc/55/13/30/558551330.db2.gz XUFRCWDAEURTED-UHFFFAOYSA-N 1 1 404.533 3.901 50 0 HHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023541534 558561339 /nfs/dbraw/zinc/56/13/39/558561339.db2.gz KROCVDCWVGJUDH-MRXNPFEDSA-N 1 1 417.600 3.797 50 0 HHAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023541534 558561341 /nfs/dbraw/zinc/56/13/41/558561341.db2.gz KROCVDCWVGJUDH-MRXNPFEDSA-N 1 1 417.600 3.797 50 0 HHAAMO COc1ccc(OCCC[NH+]2CCN(Cc3csc(-c4ccco4)n3)CC2)cc1 ZINC000025047180 558628274 /nfs/dbraw/zinc/62/82/74/558628274.db2.gz WCWYRQLKIVOELM-UHFFFAOYSA-N 1 1 413.543 3.998 50 0 HHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000014749835 558670375 /nfs/dbraw/zinc/67/03/75/558670375.db2.gz YLMLVGRDGRQXSO-FCHUYYIVSA-N 1 1 417.553 3.531 50 0 HHAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@@H+](C)Cc1cc3ccccc3s1)C2 ZINC000014755449 558671806 /nfs/dbraw/zinc/67/18/06/558671806.db2.gz RPFVAFQMGFCXCM-QGZVFWFLSA-N 1 1 408.571 3.860 50 0 HHAAMO CCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1nc2ccccc2s1 ZINC000027573159 558675209 /nfs/dbraw/zinc/67/52/09/558675209.db2.gz KXHVLGJUFMYXFQ-KRWDZBQOSA-N 1 1 422.554 4.000 50 0 HHAAMO CCN(C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1nc2ccccc2s1 ZINC000027573159 558675212 /nfs/dbraw/zinc/67/52/12/558675212.db2.gz KXHVLGJUFMYXFQ-KRWDZBQOSA-N 1 1 422.554 4.000 50 0 HHAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000014961046 558684072 /nfs/dbraw/zinc/68/40/72/558684072.db2.gz IZBICCOGCANHEQ-QGZVFWFLSA-N 1 1 416.591 3.526 50 0 HHAAMO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cnn(C(C)C)c4)CC3)on2)c1 ZINC000014980724 558691185 /nfs/dbraw/zinc/69/11/85/558691185.db2.gz VUZLQAALEHKSES-UHFFFAOYSA-N 1 1 410.518 3.697 50 0 HHAAMO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1cc2ccccc2o1 ZINC000015044833 558704294 /nfs/dbraw/zinc/70/42/94/558704294.db2.gz KVWQPTOYPQPBJW-INIZCTEOSA-N 1 1 421.497 3.666 50 0 HHAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2c(C)nn(C)c2Cl)C1 ZINC000015065174 558708098 /nfs/dbraw/zinc/70/80/98/558708098.db2.gz PILVLSWNVXBEES-SFHVURJKSA-N 1 1 404.986 3.777 50 0 HHAAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015077755 558717415 /nfs/dbraw/zinc/71/74/15/558717415.db2.gz HZYSJVHDQRMJPT-NRFANRHFSA-N 1 1 423.529 3.875 50 0 HHAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(OC)cc2)C2CC2)c1 ZINC000015486081 558741157 /nfs/dbraw/zinc/74/11/57/558741157.db2.gz VMSMMPVNJGJBTA-UHFFFAOYSA-N 1 1 409.530 3.780 50 0 HHAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(OC)cc2)C2CC2)c1 ZINC000015486081 558741159 /nfs/dbraw/zinc/74/11/59/558741159.db2.gz VMSMMPVNJGJBTA-UHFFFAOYSA-N 1 1 409.530 3.780 50 0 HHAAMO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000013574600 558844113 /nfs/dbraw/zinc/84/41/13/558844113.db2.gz SREWELXVCFVELC-FJYVLNHRSA-N 1 1 411.590 3.626 50 0 HHAAMO O=C(c1c(F)cccc1F)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055035788 558869930 /nfs/dbraw/zinc/86/99/30/558869930.db2.gz GRZCGSZVMIXVJP-GOSISDBHSA-N 1 1 403.448 3.531 50 0 HHAAMO COc1ccccc1C[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000019361675 558876406 /nfs/dbraw/zinc/87/64/06/558876406.db2.gz FIXSENWVSWXVNK-UHFFFAOYSA-N 1 1 405.336 3.784 50 0 HHAAMO CSc1nc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cs1 ZINC000055358270 558879902 /nfs/dbraw/zinc/87/99/02/558879902.db2.gz XTESAQMQSUNKHI-QGZVFWFLSA-N 1 1 416.616 3.600 50 0 HHAAMO CCc1[nH]c2c(cc(C)cc2CNc2cc(C(=O)N3CC[NH+](C)CC3)ccn2)c1C ZINC000071747809 558908659 /nfs/dbraw/zinc/90/86/59/558908659.db2.gz XHEQROQTBZHIRR-UHFFFAOYSA-N 1 1 405.546 3.742 50 0 HHAAMO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)n(-c2ccccc2)n1 ZINC000019534401 558913396 /nfs/dbraw/zinc/91/33/96/558913396.db2.gz WUZAQZSPTIZFGI-UHFFFAOYSA-N 1 1 400.429 3.853 50 0 HHAAMO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)n(-c2ccccc2)n1 ZINC000019534401 558913398 /nfs/dbraw/zinc/91/33/98/558913398.db2.gz WUZAQZSPTIZFGI-UHFFFAOYSA-N 1 1 400.429 3.853 50 0 HHAAMO CSc1cccc(NC(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)[nH+]2)c1 ZINC000065365652 558976665 /nfs/dbraw/zinc/97/66/65/558976665.db2.gz IDCXCOMNHMGYLN-UHFFFAOYSA-N 1 1 411.535 3.543 50 0 HHAAMO CC[C@@H](C)NC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069199 558983605 /nfs/dbraw/zinc/98/36/05/558983605.db2.gz RQOXKURKWAQWLW-OAHLLOKOSA-N 1 1 402.926 3.860 50 0 HHAAMO CC[C@@H](C)NC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069199 558983608 /nfs/dbraw/zinc/98/36/08/558983608.db2.gz RQOXKURKWAQWLW-OAHLLOKOSA-N 1 1 402.926 3.860 50 0 HHAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000067856489 558994075 /nfs/dbraw/zinc/99/40/75/558994075.db2.gz DBCNTGHMNPOGHK-GOSISDBHSA-N 1 1 409.452 3.965 50 0 HHAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N[C@@H]2CCc3cccnc32)nc1 ZINC000067907964 558994501 /nfs/dbraw/zinc/99/45/01/558994501.db2.gz ZVKCRBSMFLFYBH-LJQANCHMSA-N 1 1 404.518 3.716 50 0 HHAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC[N@@H+](CC)CC1 ZINC000072274140 559019071 /nfs/dbraw/zinc/01/90/71/559019071.db2.gz NCCHEUAWVXXLQW-UHFFFAOYSA-N 1 1 415.559 3.558 50 0 HHAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082107188 559038431 /nfs/dbraw/zinc/03/84/31/559038431.db2.gz SJBCSPYSNIUPRR-QHCPKHFHSA-N 1 1 423.576 3.861 50 0 HHAAMO CCC1(C)CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082114506 559039065 /nfs/dbraw/zinc/03/90/65/559039065.db2.gz YEPRBWNDKMSVIO-QFIPXVFZSA-N 1 1 412.622 3.797 50 0 HHAAMO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000004784112 559062907 /nfs/dbraw/zinc/06/29/07/559062907.db2.gz NEETYLAEGDWUBZ-IBGZPJMESA-N 1 1 406.526 3.561 50 0 HHAAMO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091460219 559071680 /nfs/dbraw/zinc/07/16/80/559071680.db2.gz BYYAHYMLMBYWKF-GOSISDBHSA-N 1 1 410.562 3.958 50 0 HHAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000095497631 559081838 /nfs/dbraw/zinc/08/18/38/559081838.db2.gz NAEAKXXMQKOGGR-SFHVURJKSA-N 1 1 403.954 3.714 50 0 HHAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036345608 559238927 /nfs/dbraw/zinc/23/89/27/559238927.db2.gz FXILFCCDRKJBMC-HXUWFJFHSA-N 1 1 409.461 3.718 50 0 HHAAMO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000046569517 559249486 /nfs/dbraw/zinc/24/94/86/559249486.db2.gz VWIPKWHIZAZCJB-SFHVURJKSA-N 1 1 407.558 3.826 50 0 HHAAMO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000046569517 559249487 /nfs/dbraw/zinc/24/94/87/559249487.db2.gz VWIPKWHIZAZCJB-SFHVURJKSA-N 1 1 407.558 3.826 50 0 HHAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248167132 559267054 /nfs/dbraw/zinc/26/70/54/559267054.db2.gz PAGXHOBXHCWNQO-KNQAVFIVSA-N 1 1 402.510 3.765 50 0 HHAAMO O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000078879445 560540660 /nfs/dbraw/zinc/54/06/60/560540660.db2.gz AXJUCWBQEPAGOK-QHCPKHFHSA-N 1 1 423.601 3.682 50 0 HHAAMO CC(C)[C@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)[N@H+]1CCc2ccccc2C1 ZINC000048324206 568438077 /nfs/dbraw/zinc/43/80/77/568438077.db2.gz QNHIZGKEURPNSM-RUZDIDTESA-N 1 1 416.569 3.973 50 0 HHAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2Br)C[C@@H](C)O1 ZINC000048340211 568440237 /nfs/dbraw/zinc/44/02/37/568440237.db2.gz PNJWOHIOIRZXBS-HZPDHXFCSA-N 1 1 417.347 3.988 50 0 HHAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012328495 568472060 /nfs/dbraw/zinc/47/20/60/568472060.db2.gz GATPCLBCTFRLKD-CVDCTZTESA-N 1 1 411.521 3.990 50 0 HHAAMO O=C(NC[C@@H]1COc2ccccc2O1)N(CC1CC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000604404775 568492430 /nfs/dbraw/zinc/49/24/30/568492430.db2.gz RRGKJNYBUYKZSF-PWRODBHTSA-N 1 1 413.562 3.513 50 0 HHAAMO Cc1cc(N2CC[NH+](C[C@H]3CO[C@H](c4ccc(Cl)cc4)O3)CC2)nc(C(C)C)n1 ZINC000095448099 568612476 /nfs/dbraw/zinc/61/24/76/568612476.db2.gz FITFLLREFQOPMD-UGKGYDQZSA-N 1 1 416.953 3.798 50 0 HHAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000020507920 568619863 /nfs/dbraw/zinc/61/98/63/568619863.db2.gz WAZDEYWLRCMYRY-TYCQWZJGSA-N 1 1 411.571 3.649 50 0 HHAAMO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020682305 568640067 /nfs/dbraw/zinc/64/00/67/568640067.db2.gz NWXBKRJVRJWBRD-UHFFFAOYSA-N 1 1 419.525 3.753 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021038849 568659814 /nfs/dbraw/zinc/65/98/14/568659814.db2.gz HCCQZBXJOWNZGS-UHFFFAOYSA-N 1 1 424.476 3.943 50 0 HHAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021038849 568659817 /nfs/dbraw/zinc/65/98/17/568659817.db2.gz HCCQZBXJOWNZGS-UHFFFAOYSA-N 1 1 424.476 3.943 50 0 HHAAMO CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670355 568662449 /nfs/dbraw/zinc/66/24/49/568662449.db2.gz QAUYCIZUAMLZSG-IBGZPJMESA-N 1 1 421.557 3.862 50 0 HHAAMO CN(C(=O)C[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1nccs1 ZINC000096012777 568685229 /nfs/dbraw/zinc/68/52/29/568685229.db2.gz MORQTFKGTOLBHH-SFHVURJKSA-N 1 1 408.518 3.589 50 0 HHAAMO Cc1ncc(C[N@@H+](C)CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116526 568696102 /nfs/dbraw/zinc/69/61/02/568696102.db2.gz HUNXQBLAGHTOEZ-UHFFFAOYSA-N 1 1 404.466 3.822 50 0 biogenic HHAAMO COCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2cc(Cl)ccc21 ZINC000096125626 568701277 /nfs/dbraw/zinc/70/12/77/568701277.db2.gz BXWNTNUOICLLTI-OXJNMPFZSA-N 1 1 403.954 3.935 50 0 biogenic HHAAMO C[NH+]1CCC2(CN(C(=O)c3ccccc3F)C[C@@H]2c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000097138431 568714704 /nfs/dbraw/zinc/71/47/04/568714704.db2.gz BHKXBLMMILTUPN-LJQANCHMSA-N 1 1 419.504 3.562 50 0 HHAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000012420113 568719474 /nfs/dbraw/zinc/71/94/74/568719474.db2.gz IHJMRRRMGQANKN-QFIPXVFZSA-N 1 1 418.537 3.924 50 0 HHAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 ZINC000015071841 568749312 /nfs/dbraw/zinc/74/93/12/568749312.db2.gz MCSDFMWVNHNTDL-KRWDZBQOSA-N 1 1 401.938 3.739 50 0 HHAAMO C[C@@H](C(=O)c1c[nH]c2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000057270725 568825422 /nfs/dbraw/zinc/82/54/22/568825422.db2.gz ZLTVXFVWXRMHJH-HNNXBMFYSA-N 1 1 419.481 3.819 50 0 HHAAMO NC(=O)c1c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)sc2c1CCC2 ZINC000057383584 568831005 /nfs/dbraw/zinc/83/10/05/568831005.db2.gz NVKWVFAZBUGPIX-LJQANCHMSA-N 1 1 411.552 3.715 50 0 HHAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(Cl)c2Cl)N1)OCCCO4 ZINC000012506437 568839279 /nfs/dbraw/zinc/83/92/79/568839279.db2.gz CZTWJBYHOBVEJW-INIZCTEOSA-N 1 1 404.257 3.601 50 0 HHAAMO C[N@@H+](C[C@@H]1CCCO1)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003058185 568851831 /nfs/dbraw/zinc/85/18/31/568851831.db2.gz KYCKPNHPBQTLKN-KRWDZBQOSA-N 1 1 401.498 3.977 50 0 HHAAMO COc1ccc(Br)cc1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030029457 568856628 /nfs/dbraw/zinc/85/66/28/568856628.db2.gz NHXAWUJWNSRJRI-BLRBJFNZSA-N 1 1 415.331 3.986 50 0 HHAAMO COc1ccc(Br)cc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030029457 568856631 /nfs/dbraw/zinc/85/66/31/568856631.db2.gz NHXAWUJWNSRJRI-BLRBJFNZSA-N 1 1 415.331 3.986 50 0 HHAAMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000504065638 568864859 /nfs/dbraw/zinc/86/48/59/568864859.db2.gz WPEUNQPOHNFYQG-AEFFLSMTSA-N 1 1 402.926 3.703 50 0 HHAAMO CCOc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc(O)c(CC)cc23)CC1 ZINC000057898646 568866102 /nfs/dbraw/zinc/86/61/02/568866102.db2.gz LQTTXNDTVXMMPW-UHFFFAOYSA-N 1 1 408.498 3.782 50 0 HHAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000012749187 568936114 /nfs/dbraw/zinc/93/61/14/568936114.db2.gz JZZRCPATFKRCSX-UHFFFAOYSA-N 1 1 421.541 3.704 50 0 HHAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccco1 ZINC000015674417 568962816 /nfs/dbraw/zinc/96/28/16/568962816.db2.gz JGVZIHYDWOWZQP-INIZCTEOSA-N 1 1 408.502 3.603 50 0 HHAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676921 568964995 /nfs/dbraw/zinc/96/49/95/568964995.db2.gz IQZDBRNBVXRKKZ-UHFFFAOYSA-N 1 1 421.589 3.942 50 0 HHAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)n2)cc1OC ZINC000015726480 568978207 /nfs/dbraw/zinc/97/82/07/568978207.db2.gz QLOAIYOLZRXXOC-UHFFFAOYSA-N 1 1 422.485 3.605 50 0 HHAAMO CC[N@H+](Cc1ccc(OC)c(F)c1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000008184776 568980149 /nfs/dbraw/zinc/98/01/49/568980149.db2.gz AMSSNUQIRFQQPU-UHFFFAOYSA-N 1 1 401.507 3.805 50 0 HHAAMO CC[N@@H+](Cc1ccc(OC)c(F)c1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000008184776 568980151 /nfs/dbraw/zinc/98/01/51/568980151.db2.gz AMSSNUQIRFQQPU-UHFFFAOYSA-N 1 1 401.507 3.805 50 0 HHAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008230688 568983954 /nfs/dbraw/zinc/98/39/54/568983954.db2.gz VCVGDGPQLZCLAB-HXUWFJFHSA-N 1 1 408.933 3.898 50 0 HHAAMO COC(=O)C1(OC(=O)C2c3ccccc3Oc3ccccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085429835 568989359 /nfs/dbraw/zinc/98/93/59/568989359.db2.gz CBLVOBMVXLECFT-LZFXEFOOSA-N 1 1 407.466 3.636 50 0 HHAAMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008324744 568991179 /nfs/dbraw/zinc/99/11/79/568991179.db2.gz QOJVPQVGSZINPI-ZDUSSCGKSA-N 1 1 421.526 3.673 50 0 HHAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000008325484 568991611 /nfs/dbraw/zinc/99/16/11/568991611.db2.gz VXUMJDSYHQYCII-UHFFFAOYSA-N 1 1 423.586 3.785 50 0 HHAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000008325484 568991612 /nfs/dbraw/zinc/99/16/12/568991612.db2.gz VXUMJDSYHQYCII-UHFFFAOYSA-N 1 1 423.586 3.785 50 0 HHAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000008345276 568994531 /nfs/dbraw/zinc/99/45/31/568994531.db2.gz NSKJTFMXYBCPRJ-AUUYWEPGSA-N 1 1 421.994 3.934 50 0 HHAAMO Fc1ccccc1N1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000015779719 569001862 /nfs/dbraw/zinc/00/18/62/569001862.db2.gz VWVFRQCHTIJORF-UHFFFAOYSA-N 1 1 403.505 3.501 50 0 HHAAMO Fc1ccccc1N1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000015779719 569001864 /nfs/dbraw/zinc/00/18/64/569001864.db2.gz VWVFRQCHTIJORF-UHFFFAOYSA-N 1 1 403.505 3.501 50 0 HHAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc4ncccc4c3)C[C@H]2CCO)cc1C ZINC000104353488 569008264 /nfs/dbraw/zinc/00/82/64/569008264.db2.gz YYJVJNXVGSRYGI-HSZRJFAPSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@@H+]2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)cc1C ZINC000104353488 569008265 /nfs/dbraw/zinc/00/82/65/569008265.db2.gz YYJVJNXVGSRYGI-HSZRJFAPSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)cc1C ZINC000104353488 569008266 /nfs/dbraw/zinc/00/82/66/569008266.db2.gz YYJVJNXVGSRYGI-HSZRJFAPSA-N 1 1 405.542 3.621 50 0 HHAAMO COc1cc(CN2CC[N@@H+](Cc3cccc4ccccc43)C[C@H]2CCO)cc(OC)c1 ZINC000104347374 569008274 /nfs/dbraw/zinc/00/82/74/569008274.db2.gz ZBLTUBSRCCPCIJ-HSZRJFAPSA-N 1 1 420.553 3.926 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)c(C)c1C ZINC000104408936 569008616 /nfs/dbraw/zinc/00/86/16/569008616.db2.gz MHJUUMKETMQWDX-OAQYLSRUSA-N 1 1 404.501 3.659 50 0 HHAAMO COc1ccc(C[N@H+]2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)c(C)c1C ZINC000107100324 569009251 /nfs/dbraw/zinc/00/92/51/569009251.db2.gz JWIVIFIBHNJUJD-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1ccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@H]2CCO)c(C)c1C ZINC000107100324 569009252 /nfs/dbraw/zinc/00/92/52/569009252.db2.gz JWIVIFIBHNJUJD-XMMPIXPASA-N 1 1 419.569 3.929 50 0 HHAAMO COc1cc(NC(=O)N2CCC(Cn3cc[nH+]c3C(C)C)CC2)cc(OC)c1OC ZINC000090560525 569041117 /nfs/dbraw/zinc/04/11/17/569041117.db2.gz RBZPOCXTMAZUHG-UHFFFAOYSA-N 1 1 416.522 3.976 50 0 HHAAMO NC(=O)CCN(C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 ZINC000013002424 569049220 /nfs/dbraw/zinc/04/92/20/569049220.db2.gz KIKWGHSZEFMBOF-DEOSSOPVSA-N 1 1 419.550 3.604 50 0 HHAAMO NC(=O)CCN(C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 ZINC000013002424 569049221 /nfs/dbraw/zinc/04/92/21/569049221.db2.gz KIKWGHSZEFMBOF-DEOSSOPVSA-N 1 1 419.550 3.604 50 0 HHAAMO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035871203 569064030 /nfs/dbraw/zinc/06/40/30/569064030.db2.gz PCQKJBXXDHGCIA-TZIWHRDSSA-N 1 1 417.475 3.705 50 0 HHAAMO COc1ccccc1[C@H](CC(=O)NCCC[NH+]1CCOCC1)c1c[nH]c2ccccc21 ZINC000035908348 569065478 /nfs/dbraw/zinc/06/54/78/569065478.db2.gz GBGMMTRXKLRIRN-NRFANRHFSA-N 1 1 421.541 3.537 50 0 HHAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031223 569080977 /nfs/dbraw/zinc/08/09/77/569080977.db2.gz QKWDEUYLRVHUCR-IBGZPJMESA-N 1 1 413.445 3.727 50 0 HHAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036031223 569080978 /nfs/dbraw/zinc/08/09/78/569080978.db2.gz QKWDEUYLRVHUCR-IBGZPJMESA-N 1 1 413.445 3.727 50 0 HHAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036031677 569081167 /nfs/dbraw/zinc/08/11/67/569081167.db2.gz YHFBFWIDWAPBLV-HXUWFJFHSA-N 1 1 419.493 3.549 50 0 HHAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036031677 569081168 /nfs/dbraw/zinc/08/11/68/569081168.db2.gz YHFBFWIDWAPBLV-HXUWFJFHSA-N 1 1 419.493 3.549 50 0 HHAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)cc1OC ZINC000036096012 569090006 /nfs/dbraw/zinc/09/00/06/569090006.db2.gz IVYFEPITMXGQEA-NRFANRHFSA-N 1 1 405.510 3.879 50 0 HHAAMO COc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1 ZINC000036098453 569090908 /nfs/dbraw/zinc/09/09/08/569090908.db2.gz OYEFUSAFAUPDJL-OAQYLSRUSA-N 1 1 421.493 3.866 50 0 HHAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145861 569098417 /nfs/dbraw/zinc/09/84/17/569098417.db2.gz NTXHCBQLLQWMFO-GOTSBHOMSA-N 1 1 414.521 3.854 50 0 HHAAMO CC(C)[N@@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000006724924 569100707 /nfs/dbraw/zinc/10/07/07/569100707.db2.gz ZLLDGMKKDBRZQD-UHFFFAOYSA-N 1 1 406.530 3.961 50 0 HHAAMO CCN(CC)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036250157 569119248 /nfs/dbraw/zinc/11/92/48/569119248.db2.gz FJLODXVDAAVREA-HXUWFJFHSA-N 1 1 405.970 3.525 50 0 HHAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343853 569142393 /nfs/dbraw/zinc/14/23/93/569142393.db2.gz RVBWGBVEPXMRFW-HSZRJFAPSA-N 1 1 424.976 3.882 50 0 HHAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345018 569143028 /nfs/dbraw/zinc/14/30/28/569143028.db2.gz XIWIBVFWHQVYGZ-XMMPIXPASA-N 1 1 404.558 3.537 50 0 HHAAMO COC(=O)c1ccccc1NC(=O)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000006877308 569163830 /nfs/dbraw/zinc/16/38/30/569163830.db2.gz CDAOVCJYXDJVJK-UHFFFAOYSA-N 1 1 407.514 3.775 50 0 HHAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000036427615 569180741 /nfs/dbraw/zinc/18/07/41/569180741.db2.gz SFZKRBDTGDINFB-FXAWDEMLSA-N 1 1 402.922 3.568 50 0 HHAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)NC4CCC(C)CC4)CC3)n2)cc1 ZINC000065184240 569191318 /nfs/dbraw/zinc/19/13/18/569191318.db2.gz CWMFFWWJHNCHRQ-UHFFFAOYSA-N 1 1 412.534 3.620 50 0 HHAAMO O=C(c1cc(C2CC2)nc2onc(C3CC3)c21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036617376 569208403 /nfs/dbraw/zinc/20/84/03/569208403.db2.gz MDGUZLWBEWOJRF-UHFFFAOYSA-N 1 1 402.498 3.936 50 0 HHAAMO CC(C)(C)c1ccc(OCC(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036699983 569222451 /nfs/dbraw/zinc/22/24/51/569222451.db2.gz STBKILRWAIQRBR-HSZRJFAPSA-N 1 1 410.558 3.943 50 0 HHAAMO CC(C)(C)c1ccc(OCC(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036699983 569222452 /nfs/dbraw/zinc/22/24/52/569222452.db2.gz STBKILRWAIQRBR-HSZRJFAPSA-N 1 1 410.558 3.943 50 0 HHAAMO C[NH+](C)[C@@H](C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1)c1ccccc1 ZINC000065575945 569236002 /nfs/dbraw/zinc/23/60/02/569236002.db2.gz OZHGIVOZDBUQDH-OXQOHEQNSA-N 1 1 416.363 3.695 50 0 HHAAMO C[NH+](C)[C@H](CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21)c1ccccc1Cl ZINC000037117509 569237558 /nfs/dbraw/zinc/23/75/58/569237558.db2.gz UHVNGBTZNVVIND-QGZVFWFLSA-N 1 1 422.312 3.711 50 0 HHAAMO COc1cccc([C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c2ccccn2)c1 ZINC000170598103 569242402 /nfs/dbraw/zinc/24/24/02/569242402.db2.gz KGTNEDVNHDVXBP-UUOWRZLLSA-N 1 1 403.482 3.690 50 0 HHAAMO C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000252452829 569286337 /nfs/dbraw/zinc/28/63/37/569286337.db2.gz HCPYGECYHALWDB-PKTZIBPZSA-N 1 1 419.521 3.925 50 0 HHAAMO CN(CC/C=C1\c2ccccc2CSc2ccccc21)C(=O)CN1CC[NH+](C)CC1 ZINC000208024327 569289471 /nfs/dbraw/zinc/28/94/71/569289471.db2.gz GKSHVNJSFHCDEJ-SSDVNMTOSA-N 1 1 421.610 3.820 50 0 HHAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000252540179 569293338 /nfs/dbraw/zinc/29/33/38/569293338.db2.gz OVGZOBWFBNCWGD-DHIUTWEWSA-N 1 1 403.526 3.797 50 0 HHAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000027364219 569296649 /nfs/dbraw/zinc/29/66/49/569296649.db2.gz DCVVBJUCXPMMCJ-DEOSSOPVSA-N 1 1 416.525 3.503 50 0 HHAAMO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3cccc(F)c3F)CC2)cc1OC ZINC000037580767 569308072 /nfs/dbraw/zinc/30/80/72/569308072.db2.gz QXSDGZCNOJFONX-UHFFFAOYSA-N 1 1 404.457 4.000 50 0 HHAAMO COc1ccccc1C1(F)CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000253426537 569368333 /nfs/dbraw/zinc/36/83/33/569368333.db2.gz HIEVBUFBZFNTCN-WFXMLNOXSA-N 1 1 406.542 3.616 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000002315645 569373015 /nfs/dbraw/zinc/37/30/15/569373015.db2.gz PFNAEGRDQSMNIC-ZDUSSCGKSA-N 1 1 411.889 3.993 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000002315645 569373017 /nfs/dbraw/zinc/37/30/17/569373017.db2.gz PFNAEGRDQSMNIC-ZDUSSCGKSA-N 1 1 411.889 3.993 50 0 HHAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000002311270 569373897 /nfs/dbraw/zinc/37/38/97/569373897.db2.gz GWSSOODOEXHBJQ-VXGBXAGGSA-N 1 1 422.323 3.776 50 0 HHAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@H+]1CCCC(C)(C)C1 ZINC000002327049 569375474 /nfs/dbraw/zinc/37/54/74/569375474.db2.gz CESWTDYWVPIPIR-UHFFFAOYSA-N 1 1 401.507 3.804 50 0 HHAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000027735724 569391973 /nfs/dbraw/zinc/39/19/73/569391973.db2.gz VSFNLMCVWHSPCP-JOCHJYFZSA-N 1 1 409.530 3.953 50 0 HHAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000078729240 569419988 /nfs/dbraw/zinc/41/99/88/569419988.db2.gz FXNKWQNWCVRWOO-KRWDZBQOSA-N 1 1 415.584 3.795 50 0 HHAAMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)cc1 ZINC000078729240 569419990 /nfs/dbraw/zinc/41/99/90/569419990.db2.gz FXNKWQNWCVRWOO-KRWDZBQOSA-N 1 1 415.584 3.795 50 0 HHAAMO O=C(Nc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1)c1ccco1 ZINC000079049405 569425434 /nfs/dbraw/zinc/42/54/34/569425434.db2.gz ZIMKYJLPEDOPPU-OYRHEFFESA-N 1 1 415.493 3.736 50 0 HHAAMO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019797631 569430389 /nfs/dbraw/zinc/43/03/89/569430389.db2.gz PQCSELLABGCGED-AVZNFENQSA-N 1 1 412.618 3.788 50 0 HHAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008755411 571113284 /nfs/dbraw/zinc/11/32/84/571113284.db2.gz UQYUBPMJNPQWOK-KGLIPLIRSA-N 1 1 421.526 3.673 50 0 HHAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008755411 571113286 /nfs/dbraw/zinc/11/32/86/571113286.db2.gz UQYUBPMJNPQWOK-KGLIPLIRSA-N 1 1 421.526 3.673 50 0 HHAAMO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c(OC)c1 ZINC000008901442 571145065 /nfs/dbraw/zinc/14/50/65/571145065.db2.gz WWNQJPRDQDXZDU-GOSISDBHSA-N 1 1 424.588 3.661 50 0 HHAAMO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040103446 571164264 /nfs/dbraw/zinc/16/42/64/571164264.db2.gz WYVLBSMZLYDCHS-UHFFFAOYSA-N 1 1 414.937 3.526 50 0 HHAAMO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000040108159 571168034 /nfs/dbraw/zinc/16/80/34/571168034.db2.gz XJEALIUWFHBSEA-FXAWDEMLSA-N 1 1 407.986 3.865 50 0 HHAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(I)cc2)C1 ZINC000040108164 571168141 /nfs/dbraw/zinc/16/81/41/571168141.db2.gz SAXLALUPFUTJHW-CQSZACIVSA-N 1 1 400.304 3.533 50 0 HHAAMO CC[C@@H](C)c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000040149713 571196912 /nfs/dbraw/zinc/19/69/12/571196912.db2.gz ILTAJVSTQKKARZ-GOSISDBHSA-N 1 1 402.560 3.511 50 0 HHAAMO FC(F)(F)c1cccnc1N1CC[NH+](C2CCN(Cc3cccs3)CC2)CC1 ZINC000244975165 571211509 /nfs/dbraw/zinc/21/15/09/571211509.db2.gz IEOIYYYIMVQVJW-UHFFFAOYSA-N 1 1 410.509 3.949 50 0 HHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245237863 571219602 /nfs/dbraw/zinc/21/96/02/571219602.db2.gz ZZSQMFHFTVIADH-PXNSSMCTSA-N 1 1 410.514 3.871 50 0 HHAAMO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245237863 571219604 /nfs/dbraw/zinc/21/96/04/571219604.db2.gz ZZSQMFHFTVIADH-PXNSSMCTSA-N 1 1 410.514 3.871 50 0 HHAAMO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000069899629 571248649 /nfs/dbraw/zinc/24/86/49/571248649.db2.gz SXFFLMUWEZUDSH-UHFFFAOYSA-N 1 1 415.541 3.760 50 0 HHAAMO CCOc1ccc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1C ZINC000077104192 571311720 /nfs/dbraw/zinc/31/17/20/571311720.db2.gz CJXNWFDODLJSGS-UHFFFAOYSA-N 1 1 408.589 3.613 50 0 HHAAMO CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716730 571316361 /nfs/dbraw/zinc/31/63/61/571316361.db2.gz OOEVUBROORSHKM-VQTJNVASSA-N 1 1 414.521 3.893 50 0 HHAAMO