smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 ZINC000039516189 966496212 /nfs/dbraw/zinc/49/62/12/966496212.db2.gz GCEBDVNRVLWMHO-JOCHJYFZSA-N 1 2 421.928 3.500 50 0 HHAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 ZINC000039516189 966496214 /nfs/dbraw/zinc/49/62/14/966496214.db2.gz GCEBDVNRVLWMHO-JOCHJYFZSA-N 1 2 421.928 3.500 50 0 HHAALO O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000096904933 969054478 /nfs/dbraw/zinc/05/44/78/969054478.db2.gz VDGVQAAXCOEVRA-YFHOEESVSA-N 1 2 406.530 3.527 50 0 HHAALO O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000096913008 969055341 /nfs/dbraw/zinc/05/53/41/969055341.db2.gz FQWNQWIYHRYQOB-IHWYPQMZSA-N 1 2 418.946 3.920 50 0 HHAALO CC(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000004324246 132275247 /nfs/dbraw/zinc/27/52/47/132275247.db2.gz ZAYYSYHPWWTHEG-UHFFFAOYSA-N 1 2 406.452 3.985 50 0 HHAALO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3cccc(C)c3)CC2)cc1 ZINC000004658097 132280953 /nfs/dbraw/zinc/28/09/53/132280953.db2.gz LKFXXPLROFPSHS-UHFFFAOYSA-N 1 2 412.497 3.653 50 0 HHAALO O=C(C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008599435 132331203 /nfs/dbraw/zinc/33/12/03/132331203.db2.gz AVWFQJZVGDPZHW-UHFFFAOYSA-N 1 2 423.948 3.782 50 0 HHAALO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000011010128 132347142 /nfs/dbraw/zinc/34/71/42/132347142.db2.gz RMWSFDDCVLWVQU-UHFFFAOYSA-N 1 2 423.344 3.943 50 0 HHAALO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000012514069 132361210 /nfs/dbraw/zinc/36/12/10/132361210.db2.gz XICXVOSOFUYMKX-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000012514069 132361212 /nfs/dbraw/zinc/36/12/12/132361212.db2.gz XICXVOSOFUYMKX-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO Cc1cc(N2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012771755 132366939 /nfs/dbraw/zinc/36/69/39/132366939.db2.gz SELARJBLAPXDQJ-UHFFFAOYSA-N 1 2 422.360 3.976 50 0 HHAALO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557930 520508393 /nfs/dbraw/zinc/50/83/93/520508393.db2.gz VVTIHSIMEIVWEJ-OAQYLSRUSA-N 1 2 411.477 3.519 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020557930 520508395 /nfs/dbraw/zinc/50/83/95/520508395.db2.gz VVTIHSIMEIVWEJ-OAQYLSRUSA-N 1 2 411.477 3.519 50 0 HHAALO COC(=O)c1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000032953897 522109797 /nfs/dbraw/zinc/10/97/97/522109797.db2.gz NSCYGQDBECHIPT-UHFFFAOYSA-N 1 2 420.469 3.810 50 0 HHAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000020567674 523046663 /nfs/dbraw/zinc/04/66/63/523046663.db2.gz GQLRENDWKGVWJH-JXFKEZNVSA-N 1 2 408.498 3.572 50 0 HHAALO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000020567674 523046669 /nfs/dbraw/zinc/04/66/69/523046669.db2.gz GQLRENDWKGVWJH-JXFKEZNVSA-N 1 2 408.498 3.572 50 0 HHAALO Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(Cl)c1 ZINC000022806828 524284294 /nfs/dbraw/zinc/28/42/94/524284294.db2.gz MPFGUDNAEJZQSU-UHFFFAOYSA-N 1 2 413.949 3.648 50 0 HHAALO C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)C[C@H](C)O1 ZINC000044537397 525063402 /nfs/dbraw/zinc/06/34/02/525063402.db2.gz HZGZVBBWKHGLHQ-CALCHBBNSA-N 1 2 401.938 3.988 50 0 HHAALO CSc1cccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)c1 ZINC000032970953 526108125 /nfs/dbraw/zinc/10/81/25/526108125.db2.gz MMPINKSUQOKEKV-FUHWJXTLSA-N 1 2 420.538 3.825 50 0 HHAALO CSc1ncc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)n1-c1ccc(F)cc1 ZINC000032860015 526219739 /nfs/dbraw/zinc/21/97/39/526219739.db2.gz DYHUCUOAMLZZFH-UHFFFAOYSA-N 1 2 421.501 3.908 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000043083391 526256268 /nfs/dbraw/zinc/25/62/68/526256268.db2.gz IGLVHPCDDMUATD-HXUWFJFHSA-N 1 2 410.587 3.824 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000043083391 526256270 /nfs/dbraw/zinc/25/62/70/526256270.db2.gz IGLVHPCDDMUATD-HXUWFJFHSA-N 1 2 410.587 3.824 50 0 HHAALO O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000042384331 526589189 /nfs/dbraw/zinc/58/91/89/526589189.db2.gz DQZPROQAERBEQE-UHFFFAOYSA-N 1 2 407.445 3.508 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000045125230 526771746 /nfs/dbraw/zinc/77/17/46/526771746.db2.gz LDCIRUATUIKMJY-IBGZPJMESA-N 1 2 400.910 3.522 50 0 HHAALO CCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000009251228 534953737 /nfs/dbraw/zinc/95/37/37/534953737.db2.gz FAWATMKQDMKDJE-UHFFFAOYSA-N 1 2 406.486 3.919 50 0 HHAALO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023732965 536189002 /nfs/dbraw/zinc/18/90/02/536189002.db2.gz KLXQBEFLXVZQIG-OAHLLOKOSA-N 1 2 406.452 3.812 50 0 HHAALO O=C1C[C@H](SCCc2[nH]c3ccccc3[nH+]2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000001115529 557186883 /nfs/dbraw/zinc/18/68/83/557186883.db2.gz XHWSBCIMTXDORR-INIZCTEOSA-N 1 2 403.866 3.963 50 0 HHAALO Cc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(-n3cc[nH+]c3)n2)cc1 ZINC000001446102 557266354 /nfs/dbraw/zinc/26/63/54/557266354.db2.gz WFDYVHIRASQTBT-UHFFFAOYSA-N 1 2 418.301 3.981 50 0 HHAALO O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000002014976 557299221 /nfs/dbraw/zinc/29/92/21/557299221.db2.gz APQPGQGAWABJLN-LBPRGKRZSA-N 1 2 406.360 3.507 50 0 world HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022767447 557815281 /nfs/dbraw/zinc/81/52/81/557815281.db2.gz HYQVIIVKFJVJDD-OAQYLSRUSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022767447 557815282 /nfs/dbraw/zinc/81/52/82/557815282.db2.gz HYQVIIVKFJVJDD-OAQYLSRUSA-N 1 2 416.543 3.965 50 0 HHAALO COc1ccc(C(=O)N[C@H](Nc2cccc[nH+]2)C(Cl)(Cl)Cl)cc1OC ZINC000019954777 558315062 /nfs/dbraw/zinc/31/50/62/558315062.db2.gz ZCLXNAVYGNNYNP-HNNXBMFYSA-N 1 2 404.681 3.637 50 0 HHAALO O=S(=O)(c1ccccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020234719 558350464 /nfs/dbraw/zinc/35/04/64/558350464.db2.gz ZUSKMLKGTKVOJR-UHFFFAOYSA-N 1 2 410.514 3.922 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000012203251 558352014 /nfs/dbraw/zinc/35/20/14/558352014.db2.gz HQUNWFAPXKPUQQ-NRFANRHFSA-N 1 2 419.485 3.843 50 0 HHAALO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000020271975 558353105 /nfs/dbraw/zinc/35/31/05/558353105.db2.gz KXURXIAYKHSSPX-UHFFFAOYSA-N 1 2 409.877 3.634 50 0 HHAALO Cc1c[nH]c(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000012299320 558369287 /nfs/dbraw/zinc/36/92/87/558369287.db2.gz RLSCTRVXUVZJRY-UHFFFAOYSA-N 1 2 415.497 3.991 50 0 HHAALO Cc1c[nH]c(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000012299320 558369289 /nfs/dbraw/zinc/36/92/89/558369289.db2.gz RLSCTRVXUVZJRY-UHFFFAOYSA-N 1 2 415.497 3.991 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCCc2ccccc2)c(C)c1 ZINC000004341758 558425457 /nfs/dbraw/zinc/42/54/57/558425457.db2.gz UTIKYTRXQAOWFG-UHFFFAOYSA-N 1 2 417.538 3.883 50 0 HHAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012793672 558467298 /nfs/dbraw/zinc/46/72/98/558467298.db2.gz VMILOTNZEGCJFS-HXUWFJFHSA-N 1 2 412.489 3.529 50 0 HHAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012793672 558467301 /nfs/dbraw/zinc/46/73/01/558467301.db2.gz VMILOTNZEGCJFS-HXUWFJFHSA-N 1 2 412.489 3.529 50 0 HHAALO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccccc2Cl)NC(=O)N[C@@H]1c1cccs1 ZINC000013040153 558506507 /nfs/dbraw/zinc/50/65/07/558506507.db2.gz UTVOSGCGZDILPQ-KPZWWZAWSA-N 1 2 419.934 3.923 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1c1cccs1 ZINC000022800238 558513035 /nfs/dbraw/zinc/51/30/35/558513035.db2.gz XCLXJFLOJWKPMQ-IBGZPJMESA-N 1 2 403.979 3.883 50 0 HHAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC[C@H]1c1cccs1 ZINC000022800238 558513037 /nfs/dbraw/zinc/51/30/37/558513037.db2.gz XCLXJFLOJWKPMQ-IBGZPJMESA-N 1 2 403.979 3.883 50 0 HHAALO C[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccsc3)CC2)c2ccccc2S1 ZINC000022801819 558513206 /nfs/dbraw/zinc/51/32/06/558513206.db2.gz FOEDOHAIFUKTKA-KRWDZBQOSA-N 1 2 401.601 3.783 50 0 HHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000013114645 558515824 /nfs/dbraw/zinc/51/58/24/558515824.db2.gz RATSCABRNDYFEH-OAHLLOKOSA-N 1 2 424.482 3.510 50 0 HHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000013114645 558515826 /nfs/dbraw/zinc/51/58/26/558515826.db2.gz RATSCABRNDYFEH-OAHLLOKOSA-N 1 2 424.482 3.510 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000023257651 558546560 /nfs/dbraw/zinc/54/65/60/558546560.db2.gz QSGMHKZBKLODFZ-INIZCTEOSA-N 1 2 417.937 3.502 50 0 HHAALO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000023732968 558571849 /nfs/dbraw/zinc/57/18/49/558571849.db2.gz KLXQBEFLXVZQIG-HNNXBMFYSA-N 1 2 406.452 3.812 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000023774379 558575728 /nfs/dbraw/zinc/57/57/28/558575728.db2.gz MHJSVBCHHGYUHS-NRFANRHFSA-N 1 2 417.513 3.570 50 0 HHAALO CC[C@]1(c2ccccc2)NC(=O)N(C[N@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023856211 558578207 /nfs/dbraw/zinc/57/82/07/558578207.db2.gz VDZSLYXAJUXJEC-RUZDIDTESA-N 1 2 420.557 3.924 50 0 HHAALO CC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023856211 558578209 /nfs/dbraw/zinc/57/82/09/558578209.db2.gz VDZSLYXAJUXJEC-RUZDIDTESA-N 1 2 420.557 3.924 50 0 HHAALO O=C(c1csc(-c2ccsc2)n1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023990286 558583825 /nfs/dbraw/zinc/58/38/25/558583825.db2.gz DSANZMZIQSWBHK-UHFFFAOYSA-N 1 2 411.552 3.765 50 0 HHAALO Nc1nc(Cl)cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000024056665 558587220 /nfs/dbraw/zinc/58/72/20/558587220.db2.gz QTJFNRWACKYSAP-UHFFFAOYSA-N 1 2 415.875 3.902 50 0 HHAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000024970454 558623095 /nfs/dbraw/zinc/62/30/95/558623095.db2.gz LBJMUSJSEVIINA-MRXNPFEDSA-N 1 2 406.452 3.866 50 0 HHAALO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231830 558640026 /nfs/dbraw/zinc/64/00/26/558640026.db2.gz WKTZBOCWWWNZGW-VLIAUNLRSA-N 1 2 422.367 3.975 50 0 HHAALO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231830 558640028 /nfs/dbraw/zinc/64/00/28/558640028.db2.gz WKTZBOCWWWNZGW-VLIAUNLRSA-N 1 2 422.367 3.975 50 0 HHAALO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000014251443 558650123 /nfs/dbraw/zinc/65/01/23/558650123.db2.gz RMOPAHVZTFBAEC-GOSISDBHSA-N 1 2 421.516 3.794 50 0 HHAALO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000014251443 558650127 /nfs/dbraw/zinc/65/01/27/558650127.db2.gz RMOPAHVZTFBAEC-GOSISDBHSA-N 1 2 421.516 3.794 50 0 HHAALO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1Br ZINC000060218626 558650364 /nfs/dbraw/zinc/65/03/64/558650364.db2.gz LOUYGVWJICNHQQ-UHFFFAOYSA-N 1 2 412.349 3.754 50 0 HHAALO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1Br ZINC000060218626 558650366 /nfs/dbraw/zinc/65/03/66/558650366.db2.gz LOUYGVWJICNHQQ-UHFFFAOYSA-N 1 2 412.349 3.754 50 0 HHAALO CC(C)(C)OC(=O)N1CCC(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000025898170 558651777 /nfs/dbraw/zinc/65/17/77/558651777.db2.gz GAPDJVWCYSCZIT-UHFFFAOYSA-N 1 2 415.578 3.587 50 0 HHAALO CC(C)(C)OC(=O)N1CCC(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000025898170 558651778 /nfs/dbraw/zinc/65/17/78/558651778.db2.gz GAPDJVWCYSCZIT-UHFFFAOYSA-N 1 2 415.578 3.587 50 0 HHAALO Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000026067872 558654707 /nfs/dbraw/zinc/65/47/07/558654707.db2.gz CGQZHCJVEROLHK-SFHVURJKSA-N 1 2 405.926 3.780 50 0 HHAALO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000027581441 558675722 /nfs/dbraw/zinc/67/57/22/558675722.db2.gz MEVFGLBDNMVCIJ-NRFANRHFSA-N 1 2 402.922 3.525 50 0 HHAALO Cc1ccc([C@H](CNC(=O)COc2cc(C)ccc2C(C)C)[NH+]2CCOCC2)cc1 ZINC000027582844 558675985 /nfs/dbraw/zinc/67/59/85/558675985.db2.gz MTTFKTCTCCJIOP-QHCPKHFHSA-N 1 2 410.558 3.995 50 0 HHAALO Cc1cc(NC(=O)Cn2c3ccccc3[nH+]c2NC[C@H](C)O)ccc1Br ZINC000028914689 558706891 /nfs/dbraw/zinc/70/68/91/558706891.db2.gz RMRWKBPYHWBQFF-ZDUSSCGKSA-N 1 2 417.307 3.539 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCOc1ccccc1F)c1ccc(Cl)cc1 ZINC000029728144 558719512 /nfs/dbraw/zinc/71/95/12/558719512.db2.gz IBBBPIINKUFROX-GOSISDBHSA-N 1 2 402.857 3.680 50 0 HHAALO O=C(C1=Cc2ccccc2OC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015768068 558752127 /nfs/dbraw/zinc/75/21/27/558752127.db2.gz QBUCNSQQGKATMM-UHFFFAOYSA-N 1 2 402.416 3.826 50 0 HHAALO CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc21 ZINC000032986699 558806642 /nfs/dbraw/zinc/80/66/42/558806642.db2.gz FAXCXEBJCXTKIF-UHFFFAOYSA-N 1 2 423.488 3.502 50 0 HHAALO CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000004597482 558833862 /nfs/dbraw/zinc/83/38/62/558833862.db2.gz QGKDJGDFJLQEEJ-HXUWFJFHSA-N 1 2 408.889 3.837 50 0 HHAALO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCc4[nH]c[nH+]c4C3)c(C)c21 ZINC000013571106 558844549 /nfs/dbraw/zinc/84/45/49/558844549.db2.gz LKPMXJXCSPVWBD-UHFFFAOYSA-N 1 2 405.454 3.623 50 0 biogenic HHAALO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCc4[nH+]c[nH]c4C3)c(C)c21 ZINC000013571106 558844552 /nfs/dbraw/zinc/84/45/52/558844552.db2.gz LKPMXJXCSPVWBD-UHFFFAOYSA-N 1 2 405.454 3.623 50 0 biogenic HHAALO Cc1nonc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000055153454 558874306 /nfs/dbraw/zinc/87/43/06/558874306.db2.gz BHRKGASYWLLGQE-UHFFFAOYSA-N 1 2 400.486 3.757 50 0 HHAALO O=C(c1cccs1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997440 558982507 /nfs/dbraw/zinc/98/25/07/558982507.db2.gz WMJLELADDHPOHC-UHFFFAOYSA-N 1 2 405.520 3.866 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)cc1C ZINC000076837366 558997890 /nfs/dbraw/zinc/99/78/90/558997890.db2.gz CXTRHKLLVOKKDK-QHCPKHFHSA-N 1 2 423.532 3.760 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)cc1C ZINC000076837366 558997891 /nfs/dbraw/zinc/99/78/91/558997891.db2.gz CXTRHKLLVOKKDK-QHCPKHFHSA-N 1 2 423.532 3.760 50 0 HHAALO COc1cccc(OC)c1C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106390 559010078 /nfs/dbraw/zinc/01/00/78/559010078.db2.gz IROOLYJVUMFSGZ-NRFANRHFSA-N 1 2 420.509 3.660 50 0 HHAALO COc1cc(OC)c(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc1Cl ZINC000033280298 559043468 /nfs/dbraw/zinc/04/34/68/559043468.db2.gz FWKCCGMSDCZEIX-UHFFFAOYSA-N 1 2 422.938 3.627 50 0 HHAALO COc1ccc(CCC(=O)N2CCN(c3[nH+]ccn3-c3cccc(Cl)c3)CC2)cc1 ZINC000011695730 559188976 /nfs/dbraw/zinc/18/89/76/559188976.db2.gz GQKVCVQNBLXLQK-UHFFFAOYSA-N 1 2 424.932 3.816 50 0 HHAALO CC(=O)C1(c2ccccc2)CC[NH+](Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000037600348 559255481 /nfs/dbraw/zinc/25/54/81/559255481.db2.gz KEZHTQPASCJADW-UHFFFAOYSA-N 1 2 417.509 3.727 50 0 HHAALO O=C(C[N@@H+]1CCc2cc3c(cc2C1)OCCCO3)Nc1cccc(Br)c1 ZINC000005345279 560569790 /nfs/dbraw/zinc/56/97/90/560569790.db2.gz LGEVSBVTJAFGCH-UHFFFAOYSA-N 1 2 417.303 3.607 50 0 HHAALO O=C(C[N@H+]1CCc2cc3c(cc2C1)OCCCO3)Nc1cccc(Br)c1 ZINC000005345279 560569792 /nfs/dbraw/zinc/56/97/92/560569792.db2.gz LGEVSBVTJAFGCH-UHFFFAOYSA-N 1 2 417.303 3.607 50 0 HHAALO Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000206829623 560747281 /nfs/dbraw/zinc/74/72/81/560747281.db2.gz AFJUEKFHYPWJKZ-GOSISDBHSA-N 1 2 409.511 3.740 50 0 HHAALO Cc1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000018017624 560767492 /nfs/dbraw/zinc/76/74/92/560767492.db2.gz SYHLCYRBGHNTGY-UHFFFAOYSA-N 1 2 424.932 3.975 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000046913401 560878760 /nfs/dbraw/zinc/87/87/60/560878760.db2.gz BONFHKHGIYJMSI-LJQANCHMSA-N 1 2 409.852 3.918 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022907494 568415995 /nfs/dbraw/zinc/41/59/95/568415995.db2.gz FQLPECKIDUIVDQ-JOCHJYFZSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022907494 568415997 /nfs/dbraw/zinc/41/59/97/568415997.db2.gz FQLPECKIDUIVDQ-JOCHJYFZSA-N 1 2 417.509 3.751 50 0 HHAALO CC1(C)Cc2cccc(OCCC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2O1 ZINC000048312246 568436283 /nfs/dbraw/zinc/43/62/83/568436283.db2.gz PMUGOLXWMRMMLB-UHFFFAOYSA-N 1 2 405.498 3.730 50 0 HHAALO CC[N@H+](CCCNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000048325881 568438858 /nfs/dbraw/zinc/43/88/58/568438858.db2.gz WDARSBDERRPAJL-IBGZPJMESA-N 1 2 406.534 3.886 50 0 HHAALO CC[N@@H+](CCCNC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000048325881 568438859 /nfs/dbraw/zinc/43/88/59/568438859.db2.gz WDARSBDERRPAJL-IBGZPJMESA-N 1 2 406.534 3.886 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000022773837 568499546 /nfs/dbraw/zinc/49/95/46/568499546.db2.gz GTIUARVCIPBEGZ-QPJJXVBHSA-N 1 2 403.448 3.975 50 0 HHAALO Cc1noc(C)c1COc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000023076220 568505347 /nfs/dbraw/zinc/50/53/47/568505347.db2.gz VTRCLCHPYBFIKI-UHFFFAOYSA-N 1 2 406.486 3.796 50 0 HHAALO CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000095966838 568670868 /nfs/dbraw/zinc/67/08/68/568670868.db2.gz VTXRRNMFAMWHKC-UHFFFAOYSA-N 1 2 420.441 3.553 50 0 HHAALO CCN(CC)c1ccc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1 ZINC000225799252 568675632 /nfs/dbraw/zinc/67/56/32/568675632.db2.gz SZJVGKCCKYWXCK-OAQYLSRUSA-N 1 2 411.550 3.502 50 0 HHAALO CCN(CC)c1ccc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1 ZINC000225799252 568675635 /nfs/dbraw/zinc/67/56/35/568675635.db2.gz SZJVGKCCKYWXCK-OAQYLSRUSA-N 1 2 411.550 3.502 50 0 HHAALO CC[C@H](C(=O)N1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1)c1ccccc1 ZINC000021173317 568676618 /nfs/dbraw/zinc/67/66/18/568676618.db2.gz OXYNFNFFUIREPM-NRFANRHFSA-N 1 2 404.510 3.939 50 0 HHAALO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)nc1)c1cccs1 ZINC000034667859 568698986 /nfs/dbraw/zinc/69/89/86/568698986.db2.gz MLEANKHOYSUOPR-UHFFFAOYSA-N 1 2 414.481 3.996 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000096316870 568725891 /nfs/dbraw/zinc/72/58/91/568725891.db2.gz CGMJGOXZBGOOLJ-UHFFFAOYSA-N 1 2 420.557 3.711 50 0 HHAALO COc1ccc(OC)c(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000000904720 568749581 /nfs/dbraw/zinc/74/95/81/568749581.db2.gz YBOPSEIFDRKKPD-UHFFFAOYSA-N 1 2 406.467 3.808 50 0 HHAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(OC)c1 ZINC000000929251 568750904 /nfs/dbraw/zinc/75/09/04/568750904.db2.gz DUTFKGZAKPNQSF-UHFFFAOYSA-N 1 2 421.482 3.564 50 0 HHAALO CC(C)c1ccccc1NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000096791821 568764799 /nfs/dbraw/zinc/76/47/99/568764799.db2.gz HJIYQENTIQXHSX-UHFFFAOYSA-N 1 2 406.452 3.985 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000056896076 568820889 /nfs/dbraw/zinc/82/08/89/568820889.db2.gz KYUVKAMWSFJCIB-QHCPKHFHSA-N 1 2 404.489 3.514 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000057350707 568827366 /nfs/dbraw/zinc/82/73/66/568827366.db2.gz KUYRKNPNUMDPDJ-UHFFFAOYSA-N 1 2 402.494 3.807 50 0 HHAALO CSc1ccc(-c2noc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000057427639 568835777 /nfs/dbraw/zinc/83/57/77/568835777.db2.gz MVPFXBWAZZLMOS-UHFFFAOYSA-N 1 2 424.526 3.505 50 0 HHAALO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000057451187 568837579 /nfs/dbraw/zinc/83/75/79/568837579.db2.gz UKBYKGHVLDXSBJ-UHFFFAOYSA-N 1 2 405.420 3.901 50 0 HHAALO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000057451187 568837580 /nfs/dbraw/zinc/83/75/80/568837580.db2.gz UKBYKGHVLDXSBJ-UHFFFAOYSA-N 1 2 405.420 3.901 50 0 HHAALO CSc1ncc(C(=O)NCCn2c(C)[nH+]c3ccccc32)n1-c1ccc(F)cc1 ZINC000012507743 568839945 /nfs/dbraw/zinc/83/99/45/568839945.db2.gz PUOHIYYYRCXUDJ-UHFFFAOYSA-N 1 2 409.490 3.821 50 0 HHAALO COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4cn5cc(C)ccc5[nH+]4)C3=O)ccc2c1 ZINC000012532458 568844331 /nfs/dbraw/zinc/84/43/31/568844331.db2.gz ZSHOOIDUZJNQIT-XMMPIXPASA-N 1 2 414.465 3.772 50 0 HHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000012548788 568851805 /nfs/dbraw/zinc/85/18/05/568851805.db2.gz DUKSTYFAIDCNAY-GOSISDBHSA-N 1 2 414.509 3.735 50 0 HHAALO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc(Cl)c1OC ZINC000012559116 568856922 /nfs/dbraw/zinc/85/69/22/568856922.db2.gz HMZFMOJFAVWXHF-KRWDZBQOSA-N 1 2 403.841 3.749 50 0 HHAALO Cc1cc(C)n(-c2ccc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3F)cc2)n1 ZINC000012582845 568865240 /nfs/dbraw/zinc/86/52/40/568865240.db2.gz XSGDELYAWVFKTQ-NRFANRHFSA-N 1 2 403.461 3.881 50 0 HHAALO COc1ccccc1NS(=O)(=O)c1ccc2oc(=S)n(C[NH+]3CCCC3)c2c1 ZINC000003362763 568888300 /nfs/dbraw/zinc/88/83/00/568888300.db2.gz UQPLVSOJZWVTFE-UHFFFAOYSA-N 1 2 419.528 3.826 50 0 HHAALO Cc1oc2cc3oc(=O)c(CCC(=O)NCCCn4cc[nH+]c4)c(C)c3cc2c1C ZINC000003985173 568931112 /nfs/dbraw/zinc/93/11/12/568931112.db2.gz JLNXFEVMLSPEKE-UHFFFAOYSA-N 1 2 407.470 3.800 50 0 biogenic HHAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000012767611 568949311 /nfs/dbraw/zinc/94/93/11/568949311.db2.gz GEWWOQFFWACNBS-UHFFFAOYSA-N 1 2 423.282 3.834 50 0 HHAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000012767611 568949314 /nfs/dbraw/zinc/94/93/14/568949314.db2.gz GEWWOQFFWACNBS-UHFFFAOYSA-N 1 2 423.282 3.834 50 0 HHAALO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC000008310377 568988757 /nfs/dbraw/zinc/98/87/57/568988757.db2.gz BIILQXYUYDLSFR-SFHVURJKSA-N 1 2 412.486 3.641 50 0 HHAALO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC ZINC000008310377 568988758 /nfs/dbraw/zinc/98/87/58/568988758.db2.gz BIILQXYUYDLSFR-SFHVURJKSA-N 1 2 412.486 3.641 50 0 HHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1F ZINC000008427816 569002110 /nfs/dbraw/zinc/00/21/10/569002110.db2.gz OYGGIYHYPVWFJW-UHFFFAOYSA-N 1 2 416.884 3.959 50 0 HHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1F ZINC000008427816 569002111 /nfs/dbraw/zinc/00/21/11/569002111.db2.gz OYGGIYHYPVWFJW-UHFFFAOYSA-N 1 2 416.884 3.959 50 0 HHAALO COc1ccc(NC(=O)c2nnc(C[NH+]3CCC(c4ccc(O)cc4)CC3)s2)cc1 ZINC000012868161 569012295 /nfs/dbraw/zinc/01/22/95/569012295.db2.gz NWWAROZSLWYJBS-UHFFFAOYSA-N 1 2 424.526 3.884 50 0 HHAALO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3cccc4ncccc43)CC2)cc1 ZINC000012919198 569022796 /nfs/dbraw/zinc/02/27/96/569022796.db2.gz RUXAYZIQCRPYIB-UHFFFAOYSA-N 1 2 403.482 3.777 50 0 HHAALO COc1ccccc1NC(=O)Cc1noc(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000012929132 569024345 /nfs/dbraw/zinc/02/43/45/569024345.db2.gz XTYIYFWDTZXNOM-UHFFFAOYSA-N 1 2 400.866 3.545 50 0 HHAALO COc1ccccc1NC(=O)Cc1noc(C[N@@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000012929132 569024346 /nfs/dbraw/zinc/02/43/46/569024346.db2.gz XTYIYFWDTZXNOM-UHFFFAOYSA-N 1 2 400.866 3.545 50 0 HHAALO COc1cccc2c(O)c(C(=O)NCCCCCc3[nH+]c4ccccc4n3C)cnc12 ZINC000217939197 569039102 /nfs/dbraw/zinc/03/91/02/569039102.db2.gz OAFMJZKEBCTVQU-UHFFFAOYSA-N 1 2 418.497 3.979 50 0 biogenic HHAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccco2)[C@@H](c2ccc(F)cc2)C[N@@H+]1C ZINC000035485650 569039834 /nfs/dbraw/zinc/03/98/34/569039834.db2.gz FNXTVAHVEYQKHE-NYQDVAGCSA-N 1 2 420.440 3.803 50 0 HHAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccco2)[C@@H](c2ccc(F)cc2)C[N@H+]1C ZINC000035485650 569039835 /nfs/dbraw/zinc/03/98/35/569039835.db2.gz FNXTVAHVEYQKHE-NYQDVAGCSA-N 1 2 420.440 3.803 50 0 HHAALO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2-c2ccccc2)cc1Cl ZINC000090583402 569041349 /nfs/dbraw/zinc/04/13/49/569041349.db2.gz XOGKEAUVNDVOAP-UHFFFAOYSA-N 1 2 405.907 3.581 50 0 HHAALO COc1ccc(C)cc1Nc1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000035596815 569045593 /nfs/dbraw/zinc/04/55/93/569045593.db2.gz FVXIHRLLEKORRB-UHFFFAOYSA-N 1 2 409.515 3.561 50 0 HHAALO CN(C(=O)C[NH+]1CCN(c2ccccc2O)CC1)C(c1ccccc1)c1ccccc1 ZINC000018904167 569047140 /nfs/dbraw/zinc/04/71/40/569047140.db2.gz MBQVIZUIVZXGNM-UHFFFAOYSA-N 1 2 415.537 3.762 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000089292272 569058224 /nfs/dbraw/zinc/05/82/24/569058224.db2.gz UANUFKGXICQYNG-XMMPIXPASA-N 1 2 404.510 3.604 50 0 HHAALO COc1c(C)c[nH+]c(CN(C)C(=O)CNc2ccc(Br)cc2C)c1C ZINC000521394093 569061367 /nfs/dbraw/zinc/06/13/67/569061367.db2.gz ACXWNEIXRLKXSR-UHFFFAOYSA-N 1 2 406.324 3.848 50 0 HHAALO O=c1c2ccccc2[nH]c(=S)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004599424 569071380 /nfs/dbraw/zinc/07/13/80/569071380.db2.gz RWOQYEIGYXDWHP-UHFFFAOYSA-N 1 2 414.962 3.925 50 0 HHAALO CC[C@@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)c1cnn(C)c1 ZINC000426389623 569072612 /nfs/dbraw/zinc/07/26/12/569072612.db2.gz KTEJXVNQOFTRNT-LJQANCHMSA-N 1 2 413.547 3.526 50 0 HHAALO CC[C@@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)c1cnn(C)c1 ZINC000426389623 569072613 /nfs/dbraw/zinc/07/26/13/569072613.db2.gz KTEJXVNQOFTRNT-LJQANCHMSA-N 1 2 413.547 3.526 50 0 HHAALO CCOC1CCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426394764 569072687 /nfs/dbraw/zinc/07/26/87/569072687.db2.gz XYJRZVRVGAMNSJ-UHFFFAOYSA-N 1 2 403.548 3.552 50 0 HHAALO CCOC1CCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426394764 569072688 /nfs/dbraw/zinc/07/26/88/569072688.db2.gz XYJRZVRVGAMNSJ-UHFFFAOYSA-N 1 2 403.548 3.552 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)CCc3ccccn3)csc2C1 ZINC000426618423 569073599 /nfs/dbraw/zinc/07/35/99/569073599.db2.gz WSOUTGQQLQYGAZ-UHFFFAOYSA-N 1 2 410.543 3.621 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)CCc3ccccn3)csc2C1 ZINC000426618423 569073600 /nfs/dbraw/zinc/07/36/00/569073600.db2.gz WSOUTGQQLQYGAZ-UHFFFAOYSA-N 1 2 410.543 3.621 50 0 HHAALO Cc1ccc(-c2ccccc2C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)o1 ZINC000426690531 569073893 /nfs/dbraw/zinc/07/38/93/569073893.db2.gz FYTAFSLBYFKKQE-UHFFFAOYSA-N 1 2 400.486 3.869 50 0 HHAALO Cc1ccc(-c2ccccc2C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)o1 ZINC000426690531 569073894 /nfs/dbraw/zinc/07/38/94/569073894.db2.gz FYTAFSLBYFKKQE-UHFFFAOYSA-N 1 2 400.486 3.869 50 0 HHAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)CC)cc1 ZINC000036063841 569085571 /nfs/dbraw/zinc/08/55/71/569085571.db2.gz HOTRYOCWFBYLBN-PXNSSMCTSA-N 1 2 415.534 3.783 50 0 HHAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@@H](C)CC)cc1 ZINC000036063841 569085572 /nfs/dbraw/zinc/08/55/72/569085572.db2.gz HOTRYOCWFBYLBN-PXNSSMCTSA-N 1 2 415.534 3.783 50 0 HHAALO O=C(Nc1ccc(Cl)cc1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036311230 569132228 /nfs/dbraw/zinc/13/22/28/569132228.db2.gz QDTPWEIGDKLBNZ-HXUWFJFHSA-N 1 2 403.954 3.782 50 0 HHAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc1 ZINC000065184154 569191251 /nfs/dbraw/zinc/19/12/51/569191251.db2.gz DISSGHAFKDDJPR-UHFFFAOYSA-N 1 2 422.460 3.896 50 0 HHAALO CCN(CC)c1ccc(-c2noc(C[NH+]3CCN(c4cccc(C)c4C)CC3)n2)cn1 ZINC000065216425 569197739 /nfs/dbraw/zinc/19/77/39/569197739.db2.gz WOPIJJZAOAMYIO-UHFFFAOYSA-N 1 2 420.561 3.917 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccc(Cl)c3)C2)nc[nH+]1 ZINC000065245140 569205018 /nfs/dbraw/zinc/20/50/18/569205018.db2.gz CXJWFVPSDJFQHU-MRXNPFEDSA-N 1 2 401.942 3.875 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccc(Cl)c3)C2)[nH+]cn1 ZINC000065245140 569205020 /nfs/dbraw/zinc/20/50/20/569205020.db2.gz CXJWFVPSDJFQHU-MRXNPFEDSA-N 1 2 401.942 3.875 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3oc(C)c(C(=O)N(C)CCc4ccccn4)c3C2)cc1 ZINC000065289720 569217949 /nfs/dbraw/zinc/21/79/49/569217949.db2.gz FKYDMPDXSURYAQ-UHFFFAOYSA-N 1 2 419.525 3.865 50 0 HHAALO COc1ccc(C[N@H+]2CCc3oc(C)c(C(=O)N(C)CCc4ccccn4)c3C2)cc1 ZINC000065289720 569217951 /nfs/dbraw/zinc/21/79/51/569217951.db2.gz FKYDMPDXSURYAQ-UHFFFAOYSA-N 1 2 419.525 3.865 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)c1C ZINC000007266232 569230993 /nfs/dbraw/zinc/23/09/93/569230993.db2.gz QCPCXIMYFDIZFH-OAHLLOKOSA-N 1 2 402.491 3.529 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1C ZINC000007266232 569230994 /nfs/dbraw/zinc/23/09/94/569230994.db2.gz QCPCXIMYFDIZFH-OAHLLOKOSA-N 1 2 402.491 3.529 50 0 HHAALO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620790 569238657 /nfs/dbraw/zinc/23/86/57/569238657.db2.gz QZTMUVVKRMBAAV-KUHUBIRLSA-N 1 2 402.441 3.675 50 0 HHAALO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620790 569238659 /nfs/dbraw/zinc/23/86/59/569238659.db2.gz QZTMUVVKRMBAAV-KUHUBIRLSA-N 1 2 402.441 3.675 50 0 HHAALO O=C(C[NH+]1CCC(c2cnccn2)CC1)Nc1ccc(Br)cc1Cl ZINC000170607251 569244474 /nfs/dbraw/zinc/24/44/74/569244474.db2.gz NFBLLIIMQSLHFB-UHFFFAOYSA-N 1 2 409.715 3.711 50 0 HHAALO O=C(Nc1ccc(Br)cc1Cl)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013324371 569254929 /nfs/dbraw/zinc/25/49/29/569254929.db2.gz KJQSILWRXTZXNV-UHFFFAOYSA-N 1 2 409.715 3.847 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cc1 ZINC000014406245 569259846 /nfs/dbraw/zinc/25/98/46/569259846.db2.gz LUVDULMJBCNFPA-OAQYLSRUSA-N 1 2 415.472 3.753 50 0 HHAALO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000027113075 569279872 /nfs/dbraw/zinc/27/98/72/569279872.db2.gz IXHRSUYQYJOAHO-LPHOPBHVSA-N 1 2 418.632 3.684 50 0 HHAALO CCCNC(=O)CSc1nnc(SCCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000253430733 569368771 /nfs/dbraw/zinc/36/87/71/569368771.db2.gz FSPJKPRDYZVDKF-UHFFFAOYSA-N 1 2 407.590 3.758 50 0 HHAALO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000328590620 569415074 /nfs/dbraw/zinc/41/50/74/569415074.db2.gz SYFYGCHUCKXEFA-HXUWFJFHSA-N 1 2 424.545 3.733 50 0 HHAALO CN(C)C(=O)Sc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000079053310 569425732 /nfs/dbraw/zinc/42/57/32/569425732.db2.gz PUBNJHANEQCXFM-UHFFFAOYSA-N 1 2 401.507 3.557 50 0 HHAALO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000079053283 569425745 /nfs/dbraw/zinc/42/57/45/569425745.db2.gz GKMYOWYWJLSCLC-UHFFFAOYSA-N 1 2 401.532 3.930 50 0 HHAALO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(SC(=O)N(C)C)c1 ZINC000079053283 569425746 /nfs/dbraw/zinc/42/57/46/569425746.db2.gz GKMYOWYWJLSCLC-UHFFFAOYSA-N 1 2 401.532 3.930 50 0 HHAALO [NH3+][C@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000019703422 569428757 /nfs/dbraw/zinc/42/87/57/569428757.db2.gz QUOFYKCPXAMPTK-HXUWFJFHSA-N 1 2 417.417 3.766 50 0 biogenic HHAALO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000244970296 571211137 /nfs/dbraw/zinc/21/11/37/571211137.db2.gz HRUDEWVRUCFPJZ-OAHLLOKOSA-N 1 2 415.342 3.872 50 0 HHAALO Cc1ccc(-n2nnc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2C(C)C)cc1 ZINC000069561450 571230142 /nfs/dbraw/zinc/23/01/42/571230142.db2.gz HPISJFPXKTZVRH-UHFFFAOYSA-N 1 2 414.513 3.874 50 0 HHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3COc4ccccc4C3)c2C1 ZINC000069588846 571232131 /nfs/dbraw/zinc/23/21/31/571232131.db2.gz PFVODNZTJBLOKA-KRWDZBQOSA-N 1 2 401.510 3.594 50 0 HHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3COc4ccccc4C3)c2C1 ZINC000069588846 571232132 /nfs/dbraw/zinc/23/21/32/571232132.db2.gz PFVODNZTJBLOKA-KRWDZBQOSA-N 1 2 401.510 3.594 50 0 HHAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH+]1CCC(OC)CC1 ZINC000009377546 571253220 /nfs/dbraw/zinc/25/32/20/571253220.db2.gz FPXJDLHLUNJFRM-UHFFFAOYSA-N 1 2 402.516 3.641 50 0 HHAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000009572458 571269090 /nfs/dbraw/zinc/26/90/90/571269090.db2.gz VKEBAANSSXOFPV-UHFFFAOYSA-N 1 2 401.467 3.900 50 0 HHAALO C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000009679950 571279257 /nfs/dbraw/zinc/27/92/57/571279257.db2.gz ZWXYLCCYKLQFJY-NRFANRHFSA-N 1 2 420.900 3.796 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 ZINC000010271051 571298895 /nfs/dbraw/zinc/29/88/95/571298895.db2.gz HGZCBBJRFKNPLG-NRFANRHFSA-N 1 2 415.497 3.684 50 0 HHAALO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010341091 571301174 /nfs/dbraw/zinc/30/11/74/571301174.db2.gz MRCLPOINMUYVDQ-UHFFFAOYSA-N 1 2 412.296 3.658 50 0 HHAALO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000010341091 571301175 /nfs/dbraw/zinc/30/11/75/571301175.db2.gz MRCLPOINMUYVDQ-UHFFFAOYSA-N 1 2 412.296 3.658 50 0 HHAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2cn(C)nc2C)C3)c1OC ZINC000014990382 962618778 /nfs/dbraw/zinc/61/87/78/962618778.db2.gz AISXLSDNJKZLFY-UHFFFAOYSA-N 1 2 423.513 3.816 50 0 HHAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2cn(C)nc2C)C3)c1OC ZINC000014990382 962618792 /nfs/dbraw/zinc/61/87/92/962618792.db2.gz AISXLSDNJKZLFY-UHFFFAOYSA-N 1 2 423.513 3.816 50 0 HHAALO Cc1cccc(C)c1OCc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000015064527 962645097 /nfs/dbraw/zinc/64/50/97/962645097.db2.gz ONVRURBOSNHVSI-JOCHJYFZSA-N 1 2 405.498 3.999 50 0 HHAALO Cc1cccc(C)c1OCc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000015064527 962645101 /nfs/dbraw/zinc/64/51/01/962645101.db2.gz ONVRURBOSNHVSI-JOCHJYFZSA-N 1 2 405.498 3.999 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033530475 966409791 /nfs/dbraw/zinc/40/97/91/966409791.db2.gz VLWCWSGGIAZAFO-TWGQIWQCSA-N 1 2 413.949 3.927 50 0 HHAALO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536659 969046258 /nfs/dbraw/zinc/04/62/58/969046258.db2.gz YHKIXCOMWCQXAS-QFKXJLMFSA-N 1 2 406.526 3.716 50 0 HHAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccccc1N1CCCC1 ZINC000096923317 969055429 /nfs/dbraw/zinc/05/54/29/969055429.db2.gz HYUYDAJQKAYDPC-FLIBITNWSA-N 1 2 404.558 3.556 50 0 HHAALO COc1cc(/C=C\C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000097674695 969180819 /nfs/dbraw/zinc/18/08/19/969180819.db2.gz BMRWZSSLYUPMON-AVFOEOQDSA-N 1 2 407.470 3.789 50 0 HHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 ZINC000006923511 132320906 /nfs/dbraw/zinc/32/09/06/132320906.db2.gz ZATMFGWBTAXNRC-HXUWFJFHSA-N 1 2 422.554 3.909 50 0 HHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 ZINC000006923511 132320909 /nfs/dbraw/zinc/32/09/09/132320909.db2.gz ZATMFGWBTAXNRC-HXUWFJFHSA-N 1 2 422.554 3.909 50 0 HHAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000007215455 132322839 /nfs/dbraw/zinc/32/28/39/132322839.db2.gz BGJUTNXPIWXTCU-UHFFFAOYSA-N 1 2 413.518 3.831 50 0 HHAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)N1CCN(c2ccccc2F)CC1 ZINC000007215455 132322840 /nfs/dbraw/zinc/32/28/40/132322840.db2.gz BGJUTNXPIWXTCU-UHFFFAOYSA-N 1 2 413.518 3.831 50 0 HHAALO Cc1cc(N2CCN(C(=O)c3cccnc3SC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000011077392 132347433 /nfs/dbraw/zinc/34/74/33/132347433.db2.gz OPSMXKHQXHMPSS-UHFFFAOYSA-N 1 2 407.490 3.581 50 0 HHAALO C[N@H+](CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000012517058 132361437 /nfs/dbraw/zinc/36/14/37/132361437.db2.gz HHUNDYLACOZXSN-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO C[N@@H+](CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000012517058 132361438 /nfs/dbraw/zinc/36/14/38/132361438.db2.gz HHUNDYLACOZXSN-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO C[C@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5cn6ccccc6n5)CC4)c23)C1 ZINC000012575581 132364498 /nfs/dbraw/zinc/36/44/98/132364498.db2.gz JEXIMPPNYGQPOP-INIZCTEOSA-N 1 2 418.570 3.786 50 0 HHAALO Fc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 ZINC000020662178 132470630 /nfs/dbraw/zinc/47/06/30/132470630.db2.gz BFJXLZKCSOUUHW-UHFFFAOYSA-N 1 2 408.868 3.935 50 0 HHAALO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccc(Br)cc2F)CC1 ZINC000044676247 518811597 /nfs/dbraw/zinc/81/15/97/518811597.db2.gz ITYGXRPMFPPRMF-UHFFFAOYSA-N 1 2 403.292 3.520 50 0 HHAALO CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973803 520628298 /nfs/dbraw/zinc/62/82/98/520628298.db2.gz DNKCFIFHOSXMKJ-KSSFIOAISA-N 1 2 411.329 3.651 50 0 HHAALO COc1cc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc(OC)c1OC ZINC000032769966 522658713 /nfs/dbraw/zinc/65/87/13/522658713.db2.gz NAFRMRGMJXDUJB-UHFFFAOYSA-N 1 2 421.497 3.922 50 0 HHAALO COc1cc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc(OC)c1OC ZINC000032769966 522658722 /nfs/dbraw/zinc/65/87/22/522658722.db2.gz NAFRMRGMJXDUJB-UHFFFAOYSA-N 1 2 421.497 3.922 50 0 HHAALO CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000032795083 523360582 /nfs/dbraw/zinc/36/05/82/523360582.db2.gz FEELXAHWNIKYHW-UHFFFAOYSA-N 1 2 421.463 3.879 50 0 HHAALO C[N@@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000020567142 523997523 /nfs/dbraw/zinc/99/75/23/523997523.db2.gz PKXACXHYBGVOHE-UHFFFAOYSA-N 1 2 408.512 3.760 50 0 HHAALO C[N@H+]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 ZINC000020567142 523997526 /nfs/dbraw/zinc/99/75/26/523997526.db2.gz PKXACXHYBGVOHE-UHFFFAOYSA-N 1 2 408.512 3.760 50 0 HHAALO Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000032953351 524086211 /nfs/dbraw/zinc/08/62/11/524086211.db2.gz GJNFTRIOHFVBQP-UHFFFAOYSA-N 1 2 409.493 3.963 50 0 HHAALO Cc1ccc(C)c(Nc2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000020212333 524160415 /nfs/dbraw/zinc/16/04/15/524160415.db2.gz JDGXSLSIRUFHSC-UHFFFAOYSA-N 1 2 404.514 3.657 50 0 HHAALO C[C@H]1CN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)c[nH+]2)C[C@H](C)O1 ZINC000032930482 524669526 /nfs/dbraw/zinc/66/95/26/524669526.db2.gz MEZZYSXGTFWBGI-KBPBESRZSA-N 1 2 414.556 3.810 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1[nH+]ccn1C ZINC000032905116 524739861 /nfs/dbraw/zinc/73/98/61/524739861.db2.gz WVFXMDQVFHWPMJ-HXUWFJFHSA-N 1 2 421.888 3.992 50 0 HHAALO CSc1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)c1 ZINC000032970952 526107156 /nfs/dbraw/zinc/10/71/56/526107156.db2.gz MMPINKSUQOKEKV-WMZOPIPTSA-N 1 2 420.538 3.825 50 0 HHAALO c1cn(CCCNc2ncnc3sc4c(c32)CCN(Cc2ccccc2)C4)c[nH+]1 ZINC000020547215 526534113 /nfs/dbraw/zinc/53/41/13/526534113.db2.gz CZKMJTWQUNRSNK-UHFFFAOYSA-N 1 2 404.543 3.948 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc2ccccc2c1 ZINC000022804997 526773832 /nfs/dbraw/zinc/77/38/32/526773832.db2.gz WAFUFMCFMJJDKF-UHFFFAOYSA-N 1 2 401.510 3.531 50 0 HHAALO O=S(=O)(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000032865317 527209753 /nfs/dbraw/zinc/20/97/53/527209753.db2.gz GKXOZOUDJACGCT-UHFFFAOYSA-N 1 2 404.479 3.710 50 0 HHAALO CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000001161854 557218807 /nfs/dbraw/zinc/21/88/07/557218807.db2.gz OJYXUZGMWZBEBE-VVTMIQRTSA-N 1 2 413.499 3.531 50 0 HHAALO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855801 557477553 /nfs/dbraw/zinc/47/75/53/557477553.db2.gz ZZVUNNHEPPYMIX-QRQCRPRQSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855801 557477555 /nfs/dbraw/zinc/47/75/55/557477555.db2.gz ZZVUNNHEPPYMIX-QRQCRPRQSA-N 1 2 415.509 3.650 50 0 HHAALO COc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)c(OC)c1 ZINC000002748674 557757307 /nfs/dbraw/zinc/75/73/07/557757307.db2.gz WAVCUVIGHTZSOV-UHFFFAOYSA-N 1 2 416.481 3.936 50 0 HHAALO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022766756 557814708 /nfs/dbraw/zinc/81/47/08/557814708.db2.gz OAOIBIXRLMMDLZ-NRFANRHFSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022766756 557814709 /nfs/dbraw/zinc/81/47/09/557814709.db2.gz OAOIBIXRLMMDLZ-NRFANRHFSA-N 1 2 423.513 3.742 50 0 HHAALO Cn1cc[nH+]c1CN1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000011818507 558281836 /nfs/dbraw/zinc/28/18/36/558281836.db2.gz QBTIGCFMCWDSPV-LJQANCHMSA-N 1 2 401.470 3.831 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](C)CC3 ZINC000019852993 558295922 /nfs/dbraw/zinc/29/59/22/558295922.db2.gz GTAYWTAAKYLJOT-UHFFFAOYSA-N 1 2 402.907 3.781 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](C)CC3 ZINC000019852993 558295926 /nfs/dbraw/zinc/29/59/26/558295926.db2.gz GTAYWTAAKYLJOT-UHFFFAOYSA-N 1 2 402.907 3.781 50 0 HHAALO CCn1cc[nH+]c1CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000011936137 558300179 /nfs/dbraw/zinc/30/01/79/558300179.db2.gz VQIGBWXFJWDVPY-UHFFFAOYSA-N 1 2 414.579 3.651 50 0 HHAALO FC(F)Oc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019911100 558306592 /nfs/dbraw/zinc/30/65/92/558306592.db2.gz RMOBWYKOSNFICL-UHFFFAOYSA-N 1 2 421.469 3.531 50 0 HHAALO CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](C)C3 ZINC000019940110 558314048 /nfs/dbraw/zinc/31/40/48/558314048.db2.gz PISLNMSSVALIPL-UHFFFAOYSA-N 1 2 401.557 3.946 50 0 HHAALO CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](C)C3 ZINC000019940110 558314051 /nfs/dbraw/zinc/31/40/51/558314051.db2.gz PISLNMSSVALIPL-UHFFFAOYSA-N 1 2 401.557 3.946 50 0 HHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(COc4cccc(Cl)c4)n3)CC2)cc1 ZINC000020028687 558323113 /nfs/dbraw/zinc/32/31/13/558323113.db2.gz NZZIFSBGCXOQEZ-UHFFFAOYSA-N 1 2 424.932 3.839 50 0 HHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(COc4cc(C)cc(C)c4)n3)CC2)cc1 ZINC000020028689 558323155 /nfs/dbraw/zinc/32/31/55/558323155.db2.gz KRVMRKBMVLKGEQ-UHFFFAOYSA-N 1 2 418.541 3.803 50 0 HHAALO CCN(CC)c1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020394619 558359611 /nfs/dbraw/zinc/35/96/11/558359611.db2.gz CBTALJMHRMKOCL-UHFFFAOYSA-N 1 2 402.951 3.935 50 0 HHAALO CCN(CC)c1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020394619 558359615 /nfs/dbraw/zinc/35/96/15/558359615.db2.gz CBTALJMHRMKOCL-UHFFFAOYSA-N 1 2 402.951 3.935 50 0 HHAALO Cc1ccc2c(c1)c1nnc(SCC[NH+]3CCOCC3)nc1n2Cc1ccccc1 ZINC000020419297 558361987 /nfs/dbraw/zinc/36/19/87/558361987.db2.gz HSBWVMJJBMSUHY-UHFFFAOYSA-N 1 2 419.554 3.761 50 0 HHAALO OCC[C@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000020452616 558366875 /nfs/dbraw/zinc/36/68/75/558366875.db2.gz JSSUDFYYXWDONC-DEOSSOPVSA-N 1 2 413.993 3.878 50 0 HHAALO OCC[C@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000020452616 558366878 /nfs/dbraw/zinc/36/68/78/558366878.db2.gz JSSUDFYYXWDONC-DEOSSOPVSA-N 1 2 413.993 3.878 50 0 HHAALO O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCCn1cc[nH+]c1 ZINC000012299943 558369760 /nfs/dbraw/zinc/36/97/60/558369760.db2.gz CNCDEBSJNNKVBT-UHFFFAOYSA-N 1 2 415.497 3.663 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)n2)c(OC)c1OC ZINC000012315124 558378611 /nfs/dbraw/zinc/37/86/11/558378611.db2.gz BLPRYKFOATZMCD-QGZVFWFLSA-N 1 2 410.474 3.885 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cccnc3)n2)c(OC)c1OC ZINC000012315124 558378613 /nfs/dbraw/zinc/37/86/13/558378613.db2.gz BLPRYKFOATZMCD-QGZVFWFLSA-N 1 2 410.474 3.885 50 0 HHAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)cc1 ZINC000020528612 558384002 /nfs/dbraw/zinc/38/40/02/558384002.db2.gz YGKLMOYHSZCSRW-LJQANCHMSA-N 1 2 416.949 3.803 50 0 HHAALO O=C(c1cccs1)N1CCC[C@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000020918240 558423149 /nfs/dbraw/zinc/42/31/49/558423149.db2.gz RDSJVAWKXBGPEV-IBGZPJMESA-N 1 2 400.544 3.512 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)N1CCc2ccccc21 ZINC000004341508 558425033 /nfs/dbraw/zinc/42/50/33/558425033.db2.gz YFRSTBIFQSSOCQ-UHFFFAOYSA-N 1 2 405.458 3.636 50 0 HHAALO COc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000004341539 558425042 /nfs/dbraw/zinc/42/50/42/558425042.db2.gz YBBGJKMFPDHRBW-UHFFFAOYSA-N 1 2 409.446 3.694 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(Br)c1)c1ccccc1F ZINC000012627931 558440544 /nfs/dbraw/zinc/44/05/44/558440544.db2.gz YVCDGFWGBZCYAI-SFHVURJKSA-N 1 2 418.266 3.606 50 0 HHAALO COCCN1CC[NH+](Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000022932630 558524931 /nfs/dbraw/zinc/52/49/31/558524931.db2.gz QUUTWBYPJVWNSV-UHFFFAOYSA-N 1 2 406.530 3.643 50 0 HHAALO O=C1[C@@H]2[C@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013395528 558531566 /nfs/dbraw/zinc/53/15/66/558531566.db2.gz UNKLTRXXWKZTPX-VMEUOGHSSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@@H]2[C@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013395528 558531568 /nfs/dbraw/zinc/53/15/68/558531568.db2.gz UNKLTRXXWKZTPX-VMEUOGHSSA-N 1 2 410.926 3.916 50 0 HHAALO Cc1cc(-c2nnc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)c(C)o1 ZINC000023872922 558578672 /nfs/dbraw/zinc/57/86/72/558578672.db2.gz JWOQVSKMYIAFNZ-UHFFFAOYSA-N 1 2 407.396 3.682 50 0 HHAALO C[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000023883193 558580237 /nfs/dbraw/zinc/58/02/37/558580237.db2.gz OSPDYAVEHLPFRR-HSZRJFAPSA-N 1 2 420.538 3.900 50 0 HHAALO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)NC1CCCC1 ZINC000004500410 558612587 /nfs/dbraw/zinc/61/25/87/558612587.db2.gz NDMDWXXFVSWENK-KBPBESRZSA-N 1 2 405.543 3.568 50 0 HHAALO O=C1c2ccccc2N[C@@H](c2cccc(C(F)(F)F)c2)N1CCC[NH+]1CCOCC1 ZINC000024925986 558620796 /nfs/dbraw/zinc/62/07/96/558620796.db2.gz IWQUUEIHIUFCTC-HXUWFJFHSA-N 1 2 419.447 3.994 50 0 HHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000025169479 558633491 /nfs/dbraw/zinc/63/34/91/558633491.db2.gz VUEVBOCSXLVDNP-UHFFFAOYSA-N 1 2 421.460 3.883 50 0 HHAALO COc1ccc([C@H]([NH2+][C@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 ZINC000014196743 558633621 /nfs/dbraw/zinc/63/36/21/558633621.db2.gz GQJVAJLZGKXFDK-RPBOFIJWSA-N 1 2 416.521 3.974 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025254140 558635943 /nfs/dbraw/zinc/63/59/43/558635943.db2.gz RHFABIYVOMIXTL-UHFFFAOYSA-N 1 2 416.421 3.894 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025254140 558635946 /nfs/dbraw/zinc/63/59/46/558635946.db2.gz RHFABIYVOMIXTL-UHFFFAOYSA-N 1 2 416.421 3.894 50 0 HHAALO C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025703326 558648411 /nfs/dbraw/zinc/64/84/11/558648411.db2.gz SFNVFLJKNTXTIW-HNNXBMFYSA-N 1 2 414.556 3.623 50 0 HHAALO COc1ccc([C@@H](NC(=O)c2cc3cc(OC)ccc3nc2C)c2[nH+]ccn2C)cc1 ZINC000025823549 558651059 /nfs/dbraw/zinc/65/10/59/558651059.db2.gz YVFMTBPUJGHHSU-JOCHJYFZSA-N 1 2 416.481 3.813 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000026462646 558661426 /nfs/dbraw/zinc/66/14/26/558661426.db2.gz INLVODOCOLAXKP-HNNXBMFYSA-N 1 2 423.325 3.666 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000026462646 558661429 /nfs/dbraw/zinc/66/14/29/558661429.db2.gz INLVODOCOLAXKP-HNNXBMFYSA-N 1 2 423.325 3.666 50 0 HHAALO O=S(=O)(c1cccc(COc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072264755 558664307 /nfs/dbraw/zinc/66/43/07/558664307.db2.gz VQDPTQXSVNGQFT-UHFFFAOYSA-N 1 2 422.550 3.772 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccco1 ZINC000026854415 558665882 /nfs/dbraw/zinc/66/58/82/558665882.db2.gz DRBPQEVLFWFXIU-QGZVFWFLSA-N 1 2 423.922 3.688 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccco1 ZINC000026854415 558665885 /nfs/dbraw/zinc/66/58/85/558665885.db2.gz DRBPQEVLFWFXIU-QGZVFWFLSA-N 1 2 423.922 3.688 50 0 HHAALO Cc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000027580326 558675505 /nfs/dbraw/zinc/67/55/05/558675505.db2.gz OTNVWVKLNGXNBX-NRFANRHFSA-N 1 2 416.949 3.834 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)COc2cc(C)ccc2C(C)C)[NH+]2CCOCC2)cc1 ZINC000027582838 558676048 /nfs/dbraw/zinc/67/60/48/558676048.db2.gz MTTFKTCTCCJIOP-HSZRJFAPSA-N 1 2 410.558 3.995 50 0 HHAALO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 ZINC000015064529 558707631 /nfs/dbraw/zinc/70/76/31/558707631.db2.gz LQAYWGBRHOKGMB-FQEVSTJZSA-N 1 2 401.470 3.831 50 0 HHAALO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 ZINC000015064529 558707635 /nfs/dbraw/zinc/70/76/35/558707635.db2.gz LQAYWGBRHOKGMB-FQEVSTJZSA-N 1 2 401.470 3.831 50 0 HHAALO Cc1c([C@H](C)NC(=O)C[N@@H+]2CCOc3ccccc3C2)cnn1-c1ccccc1C ZINC000015069876 558712083 /nfs/dbraw/zinc/71/20/83/558712083.db2.gz MVDOFUPISYQPBM-SFHVURJKSA-N 1 2 404.514 3.561 50 0 HHAALO Cc1c([C@H](C)NC(=O)C[N@H+]2CCOc3ccccc3C2)cnn1-c1ccccc1C ZINC000015069876 558712086 /nfs/dbraw/zinc/71/20/86/558712086.db2.gz MVDOFUPISYQPBM-SFHVURJKSA-N 1 2 404.514 3.561 50 0 HHAALO COc1ccc(OC)c2c1C[N@H+](Cn1c3ccccc3nc1SC(F)F)C[C@@H]2O ZINC000029543518 558716759 /nfs/dbraw/zinc/71/67/59/558716759.db2.gz YWLDYGLMCLUSNR-HNNXBMFYSA-N 1 2 421.469 3.875 50 0 HHAALO COc1ccc(OC)c2c1C[N@@H+](Cn1c3ccccc3nc1SC(F)F)C[C@@H]2O ZINC000029543518 558716760 /nfs/dbraw/zinc/71/67/60/558716760.db2.gz YWLDYGLMCLUSNR-HNNXBMFYSA-N 1 2 421.469 3.875 50 0 HHAALO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000029927039 558723985 /nfs/dbraw/zinc/72/39/85/558723985.db2.gz GOOPQJFVMCMCOY-CYBMUJFWSA-N 1 2 400.350 3.949 50 0 HHAALO Cn1cc(Cl)cc1C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030125734 558727245 /nfs/dbraw/zinc/72/72/45/558727245.db2.gz LPZRUZQXLSMSRE-UHFFFAOYSA-N 1 2 401.816 3.535 50 0 HHAALO Fc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3Cl)CC2)cc1 ZINC000015880882 558760357 /nfs/dbraw/zinc/76/03/57/558760357.db2.gz QPFSPLJFTKIVRE-UHFFFAOYSA-N 1 2 408.868 3.935 50 0 HHAALO CC[NH+]1CCN(C(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3C)nc2C)CC1 ZINC000033000020 558826513 /nfs/dbraw/zinc/82/65/13/558826513.db2.gz RKTTUYCZMQGTNO-UHFFFAOYSA-N 1 2 423.586 3.623 50 0 HHAALO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 ZINC000046341070 558858082 /nfs/dbraw/zinc/85/80/82/558858082.db2.gz POVBJRYWUVLZNY-GJZGRUSLSA-N 1 2 411.527 3.592 50 0 HHAALO CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1OC ZINC000033071879 558866916 /nfs/dbraw/zinc/86/69/16/558866916.db2.gz FVNWMKPUZIAVMJ-QGZVFWFLSA-N 1 2 408.502 3.503 50 0 HHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)[nH+]1 ZINC000033078165 558867703 /nfs/dbraw/zinc/86/77/03/558867703.db2.gz LLIPESUEJGJQKW-UHFFFAOYSA-N 1 2 417.513 3.937 50 0 HHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](Cc3cc(F)ccc3F)C2)cc1 ZINC000055132298 558873500 /nfs/dbraw/zinc/87/35/00/558873500.db2.gz ZHPXGKBNGDZNIW-QUCCMNQESA-N 1 2 406.498 3.797 50 0 HHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](Cc3cc(F)ccc3F)C2)cc1 ZINC000055132298 558873503 /nfs/dbraw/zinc/87/35/03/558873503.db2.gz ZHPXGKBNGDZNIW-QUCCMNQESA-N 1 2 406.498 3.797 50 0 HHAALO Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CC[NH+](C)CC1)CC[C@H](C)C2 ZINC000055212202 558876529 /nfs/dbraw/zinc/87/65/29/558876529.db2.gz SCGZPMFTBCWYSM-HNNXBMFYSA-N 1 2 411.571 3.821 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc2c1OCO2 ZINC000019367876 558877078 /nfs/dbraw/zinc/87/70/78/558877078.db2.gz PXRPVQYSGNFOKO-UHFFFAOYSA-N 1 2 419.319 3.504 50 0 HHAALO C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CC[NH+](C)CC2)C1 ZINC000055448174 558881584 /nfs/dbraw/zinc/88/15/84/558881584.db2.gz SVQUCCGWWXMXEP-CQSZACIVSA-N 1 2 415.534 3.652 50 0 HHAALO COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000058002840 558893801 /nfs/dbraw/zinc/89/38/01/558893801.db2.gz HXRIFIGBCKPMJY-OAQYLSRUSA-N 1 2 419.485 3.575 50 0 HHAALO COc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2=O)c1 ZINC000058138790 558901178 /nfs/dbraw/zinc/90/11/78/558901178.db2.gz LXYJDJOZGWCKFC-CQSZACIVSA-N 1 2 410.861 3.526 50 0 HHAALO O=C(c1ccc2c(c1)NC(=O)CO2)C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000058218480 558912973 /nfs/dbraw/zinc/91/29/73/558912973.db2.gz DHCLNAQWUAURFK-UHFFFAOYSA-N 1 2 407.495 3.722 50 0 HHAALO COc1cc(CCC(=O)NCc2cn3ccccc3[nH+]2)ccc1OCC(F)(F)F ZINC000058264535 558915394 /nfs/dbraw/zinc/91/53/94/558915394.db2.gz QDGGHMFZVBCFNZ-UHFFFAOYSA-N 1 2 407.392 3.533 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cnc(C)nc2)nc2cc(F)ccc21 ZINC000063833941 558959132 /nfs/dbraw/zinc/95/91/32/558959132.db2.gz DWMMVKNWCCVTFH-UHFFFAOYSA-N 1 2 404.449 3.535 50 0 HHAALO COC(=O)c1ccccc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471843 558963616 /nfs/dbraw/zinc/96/36/16/558963616.db2.gz DBQUSDCPKPCEDK-UHFFFAOYSA-N 1 2 407.495 3.954 50 0 HHAALO CC1=CC(C)(C)N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2cc3c(cc21)OCO3 ZINC000334161400 558980504 /nfs/dbraw/zinc/98/05/04/558980504.db2.gz ZFIRVYVQSMJOEH-UHFFFAOYSA-N 1 2 419.525 3.766 50 0 HHAALO COc1ccc(CC(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106369 559010054 /nfs/dbraw/zinc/01/00/54/559010054.db2.gz TUQHIGGIMBCLLG-DEOSSOPVSA-N 1 2 404.510 3.581 50 0 HHAALO COc1ccc(CC(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106366 559010136 /nfs/dbraw/zinc/01/01/36/559010136.db2.gz TUQHIGGIMBCLLG-XMMPIXPASA-N 1 2 404.510 3.581 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000023157102 559022196 /nfs/dbraw/zinc/02/21/96/559022196.db2.gz GORXPHWEBICPED-FHSNZYRGSA-N 1 2 416.547 3.889 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000023157102 559022197 /nfs/dbraw/zinc/02/21/97/559022197.db2.gz GORXPHWEBICPED-FHSNZYRGSA-N 1 2 416.547 3.889 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000011282583 559048607 /nfs/dbraw/zinc/04/86/07/559048607.db2.gz PRDLYSRYQACOJW-UHFFFAOYSA-N 1 2 417.350 3.819 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000011282583 559048608 /nfs/dbraw/zinc/04/86/08/559048608.db2.gz PRDLYSRYQACOJW-UHFFFAOYSA-N 1 2 417.350 3.819 50 0 HHAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000023292282 559078908 /nfs/dbraw/zinc/07/89/08/559078908.db2.gz IAQIBDNFJNHSOC-HNNXBMFYSA-N 1 2 402.564 3.679 50 0 HHAALO CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096280285 559108747 /nfs/dbraw/zinc/10/87/47/559108747.db2.gz MZCIILLOHDNHPA-QFIPXVFZSA-N 1 2 413.606 3.827 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3nc4ccccc4s3)C[C@@H]2CCO)c(F)c1 ZINC000097402593 559118367 /nfs/dbraw/zinc/11/83/67/559118367.db2.gz CDIVYHKVKBMCAA-KRWDZBQOSA-N 1 2 415.534 3.513 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3nc4ccccc4s3)C[C@@H]2CCO)c(F)c1 ZINC000097402593 559118369 /nfs/dbraw/zinc/11/83/69/559118369.db2.gz CDIVYHKVKBMCAA-KRWDZBQOSA-N 1 2 415.534 3.513 50 0 HHAALO CC[N@H+](CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)c1ccccc1 ZINC000004925315 559207738 /nfs/dbraw/zinc/20/77/38/559207738.db2.gz BPSPIBNVMYYYID-UHFFFAOYSA-N 1 2 421.541 3.730 50 0 HHAALO CC[N@@H+](CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)c1ccccc1 ZINC000004925315 559207740 /nfs/dbraw/zinc/20/77/40/559207740.db2.gz BPSPIBNVMYYYID-UHFFFAOYSA-N 1 2 421.541 3.730 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000057058574 559272983 /nfs/dbraw/zinc/27/29/83/559272983.db2.gz VAWGBSDVAWUFSO-UHFFFAOYSA-N 1 2 422.960 3.837 50 0 HHAALO O=C1CCCCCN1C[C@@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccccc1 ZINC000062580763 560631597 /nfs/dbraw/zinc/63/15/97/560631597.db2.gz XQASSOQIUFUPNC-LJQANCHMSA-N 1 2 407.543 3.834 50 0 HHAALO COc1ccc(Br)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019929058 560877024 /nfs/dbraw/zinc/87/70/24/560877024.db2.gz NVEQEWWVBCFFHC-UHFFFAOYSA-N 1 2 405.292 3.542 50 0 HHAALO C[C@@H](NC(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000105722243 560877050 /nfs/dbraw/zinc/87/70/50/560877050.db2.gz XGNFTRCZUGTSSX-IQGLISFBSA-N 1 2 417.509 3.542 50 0 HHAALO C[C@@H](NC(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000105722243 560877052 /nfs/dbraw/zinc/87/70/52/560877052.db2.gz XGNFTRCZUGTSSX-IQGLISFBSA-N 1 2 417.509 3.542 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000046913404 560878877 /nfs/dbraw/zinc/87/88/77/560878877.db2.gz BONFHKHGIYJMSI-IBGZPJMESA-N 1 2 409.852 3.918 50 0 HHAALO O=C(Cc1csc(-c2ccco2)n1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000047418330 560886885 /nfs/dbraw/zinc/88/68/85/560886885.db2.gz IBEOVRFOLDTPKE-UHFFFAOYSA-N 1 2 413.568 3.882 50 0 HHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000106465759 560891946 /nfs/dbraw/zinc/89/19/46/560891946.db2.gz VMIPUFMSZKLWEW-CJFMBICVSA-N 1 2 419.569 3.722 50 0 HHAALO C[C@@H](NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000106465759 560891947 /nfs/dbraw/zinc/89/19/47/560891947.db2.gz VMIPUFMSZKLWEW-CJFMBICVSA-N 1 2 419.569 3.722 50 0 HHAALO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907552 568415979 /nfs/dbraw/zinc/41/59/79/568415979.db2.gz YRLDBSBPHQFROF-JOCHJYFZSA-N 1 2 417.509 3.696 50 0 HHAALO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907552 568415980 /nfs/dbraw/zinc/41/59/80/568415980.db2.gz YRLDBSBPHQFROF-JOCHJYFZSA-N 1 2 417.509 3.696 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc(OCc2cccs2)cc1 ZINC000048300424 568437387 /nfs/dbraw/zinc/43/73/87/568437387.db2.gz XEGCMTOAGNFXIQ-UHFFFAOYSA-N 1 2 424.526 3.880 50 0 HHAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(I)c1 ZINC000048312507 568439004 /nfs/dbraw/zinc/43/90/04/568439004.db2.gz CYNZIBYZLJFQCH-UHFFFAOYSA-N 1 2 407.186 3.868 50 0 HHAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000049403188 568448187 /nfs/dbraw/zinc/44/81/87/568448187.db2.gz UWTGXLOWMFZBPO-UHFFFAOYSA-N 1 2 404.470 3.757 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Br)ccc1Cl ZINC000023054846 568502861 /nfs/dbraw/zinc/50/28/61/568502861.db2.gz MTSUTDDDKZGYQN-UHFFFAOYSA-N 1 2 423.738 3.865 50 0 HHAALO CCOC(=O)N1CC[NH+](Cc2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1 ZINC000038546626 568577915 /nfs/dbraw/zinc/57/79/15/568577915.db2.gz TZGQJLDXNGVITF-UHFFFAOYSA-N 1 2 417.531 3.746 50 0 HHAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(C)cc2)CC1 ZINC000020107802 568588097 /nfs/dbraw/zinc/58/80/97/568588097.db2.gz HRGPFVMGHLJLRV-UHFFFAOYSA-N 1 2 400.592 3.815 50 0 HHAALO COc1ccc(-c2[nH+]c3ccc(NC(=O)CNC(=O)OC(C)(C)C)cn3c2C)cc1 ZINC000094992589 568593348 /nfs/dbraw/zinc/59/33/48/568593348.db2.gz IOHQKIMBZQBIDW-UHFFFAOYSA-N 1 2 410.474 3.782 50 0 HHAALO COc1ccc2cc3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)oc3nc2c1 ZINC000020210072 568594241 /nfs/dbraw/zinc/59/42/41/568594241.db2.gz MHSQMGZGOAXBPB-UHFFFAOYSA-N 1 2 401.466 3.948 50 0 HHAALO O=S(=O)(Cc1ccccc1Cl)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095408289 568606307 /nfs/dbraw/zinc/60/63/07/568606307.db2.gz HPBZTNNTBYSBAD-UHFFFAOYSA-N 1 2 415.946 3.536 50 0 HHAALO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 ZINC000095406909 568606320 /nfs/dbraw/zinc/60/63/20/568606320.db2.gz HDUDLULNLPMOQE-GOSISDBHSA-N 1 2 419.500 3.614 50 0 HHAALO Cc1ccc(Cn2cc(CCCC(=O)NCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000020490005 568614205 /nfs/dbraw/zinc/61/42/05/568614205.db2.gz SUSZIHKOORBBMZ-UHFFFAOYSA-N 1 2 419.569 3.769 50 0 HHAALO CCOc1cc2[nH]c(=S)n(CC[N@@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000020644601 568639041 /nfs/dbraw/zinc/63/90/41/568639041.db2.gz DIWHXHHRBNIPKP-OAHLLOKOSA-N 1 2 405.564 3.747 50 0 HHAALO CCOc1cc2[nH]c(=S)n(CC[N@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000020644601 568639044 /nfs/dbraw/zinc/63/90/44/568639044.db2.gz DIWHXHHRBNIPKP-OAHLLOKOSA-N 1 2 405.564 3.747 50 0 HHAALO CCn1c2ccccc2nc1[C@H](C)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000095947024 568664775 /nfs/dbraw/zinc/66/47/75/568664775.db2.gz LPDWXVPKSKZSRR-JTQLQIEISA-N 1 2 400.284 3.669 50 0 HHAALO O=C(NCc1cccc(Br)c1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021162210 568674353 /nfs/dbraw/zinc/67/43/53/568674353.db2.gz HMJPHOLXMNCFJQ-UHFFFAOYSA-N 1 2 413.319 3.858 50 0 HHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccccc4F)CC3)no2)cc1 ZINC000021724389 568750966 /nfs/dbraw/zinc/75/09/66/568750966.db2.gz VEHQNVXMOYFHSW-UHFFFAOYSA-N 1 2 408.477 3.713 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1cccc2nsnc21 ZINC000019077378 568751274 /nfs/dbraw/zinc/75/12/74/568751274.db2.gz DICXVKWCVMLDQE-UHFFFAOYSA-N 1 2 419.495 3.551 50 0 HHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000021754672 568752173 /nfs/dbraw/zinc/75/21/73/568752173.db2.gz QLWVNFBTRAVKFG-SNVBAGLBSA-N 1 2 414.491 3.745 50 0 HHAALO Cn1ccnc1Sc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000096747833 568764333 /nfs/dbraw/zinc/76/43/33/568764333.db2.gz JUDJRRFCZZZFPN-UHFFFAOYSA-N 1 2 413.572 3.983 50 0 HHAALO Cc1ccc([C@H](C2Sc3ncnn3C2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022609304 568771694 /nfs/dbraw/zinc/77/16/94/568771694.db2.gz AMAUOCFOYSGVFB-LJQANCHMSA-N 1 2 423.517 3.856 50 0 HHAALO C[C@H]1CCC[N@H+](CN2c3ccccc3C3(OCC(C)(c4ccccc4)CO3)C2=O)C1 ZINC000001158144 568775260 /nfs/dbraw/zinc/77/52/60/568775260.db2.gz OKRRBOGZWHJKNJ-CCYWVKEMSA-N 1 2 406.526 3.880 50 0 HHAALO C[C@H]1CCC[N@@H+](CN2c3ccccc3C3(OCC(C)(c4ccccc4)CO3)C2=O)C1 ZINC000001158144 568775262 /nfs/dbraw/zinc/77/52/62/568775262.db2.gz OKRRBOGZWHJKNJ-CCYWVKEMSA-N 1 2 406.526 3.880 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056896260 568820848 /nfs/dbraw/zinc/82/08/48/568820848.db2.gz YWRYVRRBDUZEOE-QHCPKHFHSA-N 1 2 422.479 3.653 50 0 HHAALO COc1ccc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945125 568821286 /nfs/dbraw/zinc/82/12/86/568821286.db2.gz LFMNBWPTDHZRFD-HSZRJFAPSA-N 1 2 419.525 3.510 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000056945341 568821441 /nfs/dbraw/zinc/82/14/41/568821441.db2.gz YIQNFJHLPRPYOL-NRFANRHFSA-N 1 2 411.452 3.851 50 0 HHAALO Cc1ccccc1COc1coc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000056949859 568821988 /nfs/dbraw/zinc/82/19/88/568821988.db2.gz SFAOJNHIHGMBCT-UHFFFAOYSA-N 1 2 408.473 3.989 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000057315228 568826562 /nfs/dbraw/zinc/82/65/62/568826562.db2.gz JPUQGFIUYDJKIC-MRXNPFEDSA-N 1 2 415.921 3.569 50 0 HHAALO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057358621 568827517 /nfs/dbraw/zinc/82/75/17/568827517.db2.gz JDGVORPZYFMKMS-AWEZNQCLSA-N 1 2 421.419 3.583 50 0 HHAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC000057406300 568832753 /nfs/dbraw/zinc/83/27/53/568832753.db2.gz XLVBNOYKRJVVQM-OAQYLSRUSA-N 1 2 421.932 3.940 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(Br)cc1F)c1ccccc1 ZINC000012520459 568841272 /nfs/dbraw/zinc/84/12/72/568841272.db2.gz YOLBVGGSQZPGLI-SFHVURJKSA-N 1 2 418.266 3.606 50 0 HHAALO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218756 568858966 /nfs/dbraw/zinc/85/89/66/568858966.db2.gz XQQGIQVGWJSRKD-HSZRJFAPSA-N 1 2 400.482 3.512 50 0 HHAALO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000012602189 568870255 /nfs/dbraw/zinc/87/02/55/568870255.db2.gz SMDWFTYASOYZEE-JOCHJYFZSA-N 1 2 420.557 3.745 50 0 HHAALO Fc1ccc(N2CC[NH+](Cc3nnc(-c4cccc(Br)c4)o3)CC2)cc1 ZINC000058024128 568878022 /nfs/dbraw/zinc/87/80/22/568878022.db2.gz LVSICKARTOTBBT-UHFFFAOYSA-N 1 2 417.282 3.960 50 0 HHAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000058171354 568896063 /nfs/dbraw/zinc/89/60/63/568896063.db2.gz ZLBZBMZWCTWLSV-UHFFFAOYSA-N 1 2 422.573 3.836 50 0 HHAALO CC[N@H+](CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1 ZINC000004056749 568936599 /nfs/dbraw/zinc/93/65/99/568936599.db2.gz WEBKIHMYSVETIK-HSZRJFAPSA-N 1 2 407.558 3.827 50 0 HHAALO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1 ZINC000004056749 568936600 /nfs/dbraw/zinc/93/66/00/568936600.db2.gz WEBKIHMYSVETIK-HSZRJFAPSA-N 1 2 407.558 3.827 50 0 HHAALO CNC(=O)c1ccc(C[N@H+](C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000007997394 568967529 /nfs/dbraw/zinc/96/75/29/568967529.db2.gz IJXGDOLSFJHLSD-UHFFFAOYSA-N 1 2 417.469 3.692 50 0 HHAALO CNC(=O)c1ccc(C[N@@H+](C)Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000007997394 568967531 /nfs/dbraw/zinc/96/75/31/568967531.db2.gz IJXGDOLSFJHLSD-UHFFFAOYSA-N 1 2 417.469 3.692 50 0 HHAALO COc1cc(CSc2nnc(C[NH+]3CCCC3)o2)c(OC)cc1Br ZINC000008232878 568984515 /nfs/dbraw/zinc/98/45/15/568984515.db2.gz DPRZVABTCQOQEA-UHFFFAOYSA-N 1 2 414.325 3.737 50 0 HHAALO COC(=O)C1=C(C[N@H+](C)Cc2cccs2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000012862523 569011855 /nfs/dbraw/zinc/01/18/55/569011855.db2.gz LJLFISZETVVCNY-FQEVSTJZSA-N 1 2 411.527 3.536 50 0 HHAALO COC(=O)C1=C(C[N@@H+](C)Cc2cccs2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000012862523 569011856 /nfs/dbraw/zinc/01/18/56/569011856.db2.gz LJLFISZETVVCNY-FQEVSTJZSA-N 1 2 411.527 3.536 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cccc(Cl)c1Cl ZINC000012887208 569019578 /nfs/dbraw/zinc/01/95/78/569019578.db2.gz BNIYEGNPQGHFNC-UHFFFAOYSA-N 1 2 422.312 3.988 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000012917600 569022811 /nfs/dbraw/zinc/02/28/11/569022811.db2.gz UTIXPPXKYJTENH-GOSISDBHSA-N 1 2 410.518 3.527 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000012917600 569022812 /nfs/dbraw/zinc/02/28/12/569022812.db2.gz UTIXPPXKYJTENH-GOSISDBHSA-N 1 2 410.518 3.527 50 0 HHAALO O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012928283 569024119 /nfs/dbraw/zinc/02/41/19/569024119.db2.gz HYUGAAXQOXVDSG-SFHVURJKSA-N 1 2 409.313 3.562 50 0 HHAALO O=S(=O)(NCCCn1cc[nH+]c1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000090583433 569041331 /nfs/dbraw/zinc/04/13/31/569041331.db2.gz XIUVAHDDXBLVRE-UHFFFAOYSA-N 1 2 409.433 3.938 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000242196966 569055031 /nfs/dbraw/zinc/05/50/31/569055031.db2.gz XGNFTRCZUGTSSX-AVRWGWEMSA-N 1 2 417.509 3.542 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000242196966 569055032 /nfs/dbraw/zinc/05/50/32/569055032.db2.gz XGNFTRCZUGTSSX-AVRWGWEMSA-N 1 2 417.509 3.542 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247745727 569057533 /nfs/dbraw/zinc/05/75/33/569057533.db2.gz PUYXGBKMVCVGDK-YSFYHYPLSA-N 1 2 416.477 3.806 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247745727 569057534 /nfs/dbraw/zinc/05/75/34/569057534.db2.gz PUYXGBKMVCVGDK-YSFYHYPLSA-N 1 2 416.477 3.806 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000035769040 569058146 /nfs/dbraw/zinc/05/81/46/569058146.db2.gz SKNHTXHRTOVOFD-UHFFFAOYSA-N 1 2 422.573 3.922 50 0 HHAALO Cc1nc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)cs1 ZINC000426387887 569072640 /nfs/dbraw/zinc/07/26/40/569072640.db2.gz XAEVLZWWYBGFMO-UHFFFAOYSA-N 1 2 402.545 3.606 50 0 HHAALO Cc1nc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)cs1 ZINC000426387887 569072641 /nfs/dbraw/zinc/07/26/41/569072641.db2.gz XAEVLZWWYBGFMO-UHFFFAOYSA-N 1 2 402.545 3.606 50 0 HHAALO COc1ccccc1CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426690733 569073946 /nfs/dbraw/zinc/07/39/46/569073946.db2.gz SCHWENTZLBMQMF-UHFFFAOYSA-N 1 2 411.527 3.850 50 0 HHAALO COc1ccccc1CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426690733 569073947 /nfs/dbraw/zinc/07/39/47/569073947.db2.gz SCHWENTZLBMQMF-UHFFFAOYSA-N 1 2 411.527 3.850 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036104770 569092679 /nfs/dbraw/zinc/09/26/79/569092679.db2.gz GSVMYPGTTWPJRD-SCLBCKFNSA-N 1 2 416.547 3.897 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036104770 569092681 /nfs/dbraw/zinc/09/26/81/569092681.db2.gz GSVMYPGTTWPJRD-SCLBCKFNSA-N 1 2 416.547 3.897 50 0 HHAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4cccc(F)c4)CC3)cc(C)[nH+]2)cc1 ZINC000064799952 569097460 /nfs/dbraw/zinc/09/74/60/569097460.db2.gz GJDQCIXILJUCOF-UHFFFAOYSA-N 1 2 405.477 3.939 50 0 HHAALO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)cc(C)[nH+]1 ZINC000064801756 569097941 /nfs/dbraw/zinc/09/79/41/569097941.db2.gz RVNINFVCYRLVHD-UHFFFAOYSA-N 1 2 401.467 3.900 50 0 HHAALO CCCCc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1 ZINC000036251901 569119503 /nfs/dbraw/zinc/11/95/03/569119503.db2.gz IVVYXSAMVQDPAK-QHCPKHFHSA-N 1 2 413.606 3.870 50 0 HHAALO O=C(Nc1cccc(Cl)c1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036311585 569133284 /nfs/dbraw/zinc/13/32/84/569133284.db2.gz YNZVJUMWQYVILB-HXUWFJFHSA-N 1 2 403.954 3.782 50 0 HHAALO COc1cccc(-c2cc(C(F)(F)F)nc(N3[NH2+]C=C[C@@]3(O)C(F)(F)F)n2)c1 ZINC000006848377 569153664 /nfs/dbraw/zinc/15/36/64/569153664.db2.gz TWANOIZBXKFABS-CQSZACIVSA-N 1 2 406.286 3.618 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)N1CC(=O)Nc2ccccc21 ZINC000036440943 569184017 /nfs/dbraw/zinc/18/40/17/569184017.db2.gz PHQFYJKTNJFSFG-NRFANRHFSA-N 1 2 409.536 3.742 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)N1CC(=O)Nc2ccccc21 ZINC000036440943 569184019 /nfs/dbraw/zinc/18/40/19/569184019.db2.gz PHQFYJKTNJFSFG-NRFANRHFSA-N 1 2 409.536 3.742 50 0 HHAALO CC1CCN(c2ccc(-c3noc(C[NH+]4CCN(c5ccccc5)CC4)n3)cn2)CC1 ZINC000065216160 569197660 /nfs/dbraw/zinc/19/76/60/569197660.db2.gz LSIDUWLBVVXBQU-UHFFFAOYSA-N 1 2 418.545 3.690 50 0 HHAALO Cc1ccc(N2CC[NH+](Cc3nc(-c4ccc(N5CCCCC5)nc4)no3)CC2)cc1 ZINC000065216012 569197682 /nfs/dbraw/zinc/19/76/82/569197682.db2.gz GYXWRHKNZUNDON-UHFFFAOYSA-N 1 2 418.545 3.753 50 0 HHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(F)cc3F)C2)nc[nH+]1 ZINC000065242453 569204644 /nfs/dbraw/zinc/20/46/44/569204644.db2.gz YAMZUQYXHORYLV-INIZCTEOSA-N 1 2 417.504 3.890 50 0 HHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(F)cc3F)C2)[nH+]cn1 ZINC000065242453 569204645 /nfs/dbraw/zinc/20/46/45/569204645.db2.gz YAMZUQYXHORYLV-INIZCTEOSA-N 1 2 417.504 3.890 50 0 HHAALO FC(F)c1cc(-c2ccc(Br)cc2)nc(NCC[NH+]2CCOCC2)n1 ZINC000036613865 569209396 /nfs/dbraw/zinc/20/93/96/569209396.db2.gz ZNZFYXDIPIHVJY-UHFFFAOYSA-N 1 2 413.266 3.588 50 0 HHAALO Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(C)[nH+]3)[C@H](c3ccco3)C2)cc1 ZINC000007049179 569211737 /nfs/dbraw/zinc/21/17/37/569211737.db2.gz HJPFDGKEBYPBGT-KRWDZBQOSA-N 1 2 407.499 3.739 50 0 HHAALO CCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000065269951 569213906 /nfs/dbraw/zinc/21/39/06/569213906.db2.gz FEUHTHWAQSVZDN-UHFFFAOYSA-N 1 2 400.954 3.863 50 0 HHAALO CC[N@H+](CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)c1cccc(C)c1 ZINC000065329640 569224789 /nfs/dbraw/zinc/22/47/89/569224789.db2.gz FKFVZWPJABAPIM-UHFFFAOYSA-N 1 2 424.545 3.909 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)c1cccc(C)c1 ZINC000065329640 569224792 /nfs/dbraw/zinc/22/47/92/569224792.db2.gz FKFVZWPJABAPIM-UHFFFAOYSA-N 1 2 424.545 3.909 50 0 HHAALO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620786 569238626 /nfs/dbraw/zinc/23/86/26/569238626.db2.gz QZTMUVVKRMBAAV-LIRRHRJNSA-N 1 2 402.441 3.675 50 0 HHAALO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620786 569238628 /nfs/dbraw/zinc/23/86/28/569238628.db2.gz QZTMUVVKRMBAAV-LIRRHRJNSA-N 1 2 402.441 3.675 50 0 HHAALO COc1ccc2[nH+]c(C)nc(NCc3ccc(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2c1 ZINC000089729850 569263182 /nfs/dbraw/zinc/26/31/82/569263182.db2.gz UEUNAHRUMUEVCA-HOTGVXAUSA-N 1 2 420.513 3.808 50 0 HHAALO COc1ccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1OC ZINC000017013260 569271721 /nfs/dbraw/zinc/27/17/21/569271721.db2.gz BVHHOOUFOWZFLO-UHFFFAOYSA-N 1 2 407.474 3.864 50 0 HHAALO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000252020836 569272858 /nfs/dbraw/zinc/27/28/58/569272858.db2.gz YFMMOCVQZBMPGN-IVAOSVALSA-N 1 2 422.912 3.738 50 0 HHAALO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000252020836 569272860 /nfs/dbraw/zinc/27/28/60/569272860.db2.gz YFMMOCVQZBMPGN-IVAOSVALSA-N 1 2 422.912 3.738 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccnn1C1CCCC1 ZINC000007684233 569300709 /nfs/dbraw/zinc/30/07/09/569300709.db2.gz DUFVMSSHLMOMTN-IBGZPJMESA-N 1 2 410.518 3.935 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccnn1C1CCCC1 ZINC000007684233 569300710 /nfs/dbraw/zinc/30/07/10/569300710.db2.gz DUFVMSSHLMOMTN-IBGZPJMESA-N 1 2 410.518 3.935 50 0 HHAALO Cc1cc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2ccccc2Cl)s1 ZINC000037527143 569304346 /nfs/dbraw/zinc/30/43/46/569304346.db2.gz QTYZINPPKMJGHC-UHFFFAOYSA-N 1 2 417.962 3.775 50 0 HHAALO O=C(OC1C[NH+](C(c2ccccc2)c2ccccc2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000079024083 569424562 /nfs/dbraw/zinc/42/45/62/569424562.db2.gz RKYTXKQYKVMLHQ-QFIPXVFZSA-N 1 2 418.537 3.652 50 0 HHAALO COC(=O)c1c(C)[nH]c(C(=O)N[C@H](Cn2c[nH+]c3cc(C)c(C)cc32)C2CC2)c1C ZINC000079045766 569425159 /nfs/dbraw/zinc/42/51/59/569425159.db2.gz XSSUUNLQVOFEOV-GOSISDBHSA-N 1 2 408.502 3.593 50 0 HHAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1N1CCc2ccccc2C1)N1CCOCC1 ZINC000067288031 571065563 /nfs/dbraw/zinc/06/55/63/571065563.db2.gz LSLBHINIFORBJV-UHFFFAOYSA-N 1 2 407.901 3.923 50 0 HHAALO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533046 571075212 /nfs/dbraw/zinc/07/52/12/571075212.db2.gz ILKULLKIIQCWNC-LBPRGKRZSA-N 1 2 414.556 3.663 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040098593 571162437 /nfs/dbraw/zinc/16/24/37/571162437.db2.gz NNEURNVRVSYTMN-UHFFFAOYSA-N 1 2 414.815 3.912 50 0 HHAALO O=C(CCSc1ccccc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000040107234 571167596 /nfs/dbraw/zinc/16/75/96/571167596.db2.gz CXTUZEVCDCDULU-UHFFFAOYSA-N 1 2 406.349 3.675 50 0 HHAALO Cn1ccnc1COc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000040143821 571194177 /nfs/dbraw/zinc/19/41/77/571194177.db2.gz ASJPRLHHUYSNAO-UHFFFAOYSA-N 1 2 424.932 3.611 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1cc(Br)cs1 ZINC000244970242 571211245 /nfs/dbraw/zinc/21/12/45/571211245.db2.gz HOXHNNBPIFTYSB-LBPRGKRZSA-N 1 2 401.351 3.624 50 0 HHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009580922 571270525 /nfs/dbraw/zinc/27/05/25/571270525.db2.gz MBRAOWPCKVOFHU-CYBMUJFWSA-N 1 2 419.466 3.664 50 0 HHAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)cn2c1 ZINC000010365527 571301310 /nfs/dbraw/zinc/30/13/10/571301310.db2.gz GOOZJRFTJRYSDP-UHFFFAOYSA-N 1 2 415.449 3.880 50 0 HHAALO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2[nH+]1 ZINC000078477902 571313484 /nfs/dbraw/zinc/31/34/84/571313484.db2.gz SKDHXMULSYFBCZ-UHFFFAOYSA-N 1 2 401.488 3.823 50 0 HHAALO COc1ccc(CC(=O)NC2CCN(c3[nH+]c4ccccc4n3C(C)C)CC2)cc1 ZINC000034907152 571316680 /nfs/dbraw/zinc/31/66/80/571316680.db2.gz NLCLDWDLKGDCOB-UHFFFAOYSA-N 1 2 406.530 3.954 50 0 HHAALO COc1ccccc1N1C[C@@H]2C[C@@H](c3nc4ccccc4n3C)[N@@H+]3CCC[C@@]23C1=O ZINC000012193586 962251057 /nfs/dbraw/zinc/25/10/57/962251057.db2.gz SXTZSVJQMVMIHM-YFBXQHAESA-N 1 2 402.498 3.524 50 0 HHAALO COc1ccccc1N1C[C@@H]2C[C@@H](c3nc4ccccc4n3C)[N@H+]3CCC[C@@]23C1=O ZINC000012193586 962251070 /nfs/dbraw/zinc/25/10/70/962251070.db2.gz SXTZSVJQMVMIHM-YFBXQHAESA-N 1 2 402.498 3.524 50 0 HHAALO C[C@H](CNC(=O)c1[nH]nc2c1CCC2)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012218716 962256498 /nfs/dbraw/zinc/25/64/98/962256498.db2.gz OPWYJCANLDKKDT-MRXNPFEDSA-N 1 2 424.570 3.789 50 0 HHAALO C[C@H](CNC(=O)c1[nH]nc2c1CCC2)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012218716 962256516 /nfs/dbraw/zinc/25/65/16/962256516.db2.gz OPWYJCANLDKKDT-MRXNPFEDSA-N 1 2 424.570 3.789 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745119 963375089 /nfs/dbraw/zinc/37/50/89/963375089.db2.gz WTQQWFDYLVQIKA-HSZRJFAPSA-N 1 2 408.542 3.929 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745119 963375096 /nfs/dbraw/zinc/37/50/96/963375096.db2.gz WTQQWFDYLVQIKA-HSZRJFAPSA-N 1 2 408.542 3.929 50 0 HHAALO COc1ccc(CN(C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)C2CC2)cc1 ZINC000022777761 963713773 /nfs/dbraw/zinc/71/37/73/963713773.db2.gz QKPYOCDBADXWAR-VMPITWQZSA-N 1 2 419.569 3.517 50 0 HHAALO CCN(CC)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002939436 132260129 /nfs/dbraw/zinc/26/01/29/132260129.db2.gz FLDUWCKMGFQZSQ-UHFFFAOYSA-N 1 2 400.954 3.947 50 0 HHAALO O=C1c2ccccc2/C(=C/NCCCn2cc[nH+]c2)C(=O)N1c1ccccc1Cl ZINC000006565863 132311652 /nfs/dbraw/zinc/31/16/52/132311652.db2.gz FISPOYMENCKXAE-JXAWBTAJSA-N 1 2 406.873 3.744 50 0 HHAALO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000006776657 132315671 /nfs/dbraw/zinc/31/56/71/132315671.db2.gz INNQTGPSOGSRGN-UHFFFAOYSA-N 1 2 422.479 3.925 50 0 HHAALO O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008313973 132329332 /nfs/dbraw/zinc/32/93/32/132329332.db2.gz FATKLSGRRNOSBO-UHFFFAOYSA-N 1 2 423.520 3.956 50 0 HHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(C)c1 ZINC000008600742 132331340 /nfs/dbraw/zinc/33/13/40/132331340.db2.gz JIFUXJBUQWDWLL-UHFFFAOYSA-N 1 2 415.559 3.941 50 0 HHAALO C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000008779739 132333419 /nfs/dbraw/zinc/33/34/19/132333419.db2.gz IQWCIIITAXLZTB-GOSISDBHSA-N 1 2 420.557 3.871 50 0 HHAALO C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000008779739 132333420 /nfs/dbraw/zinc/33/34/20/132333420.db2.gz IQWCIIITAXLZTB-GOSISDBHSA-N 1 2 420.557 3.871 50 0 HHAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N(c1ccccc1)c1ccccc1 ZINC000018179477 132465988 /nfs/dbraw/zinc/46/59/88/132465988.db2.gz QVSAELYXBXSNQT-UHFFFAOYSA-N 1 2 414.509 3.875 50 0 HHAALO CCC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000032775304 521249286 /nfs/dbraw/zinc/24/92/86/521249286.db2.gz KVVWFZYDVJLOMN-KRWDZBQOSA-N 1 2 422.978 3.552 50 0 HHAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000032775304 521249298 /nfs/dbraw/zinc/24/92/98/521249298.db2.gz KVVWFZYDVJLOMN-KRWDZBQOSA-N 1 2 422.978 3.552 50 0 HHAALO COc1cc(OC)cc([C@H](NC(=O)c2ccccc2C(F)(F)F)c2[nH+]ccn2C)c1 ZINC000032843494 522882797 /nfs/dbraw/zinc/88/27/97/522882797.db2.gz GFDMMUKMZLZYIN-SFHVURJKSA-N 1 2 419.403 3.976 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)cc1 ZINC000020543201 524031116 /nfs/dbraw/zinc/03/11/16/524031116.db2.gz BOIZSSGBHDRZBY-UHFFFAOYSA-N 1 2 419.909 3.716 50 0 HHAALO COc1cccc([C@H](NC(=O)c2cc3cnn(C(C)C)c3nc2C)c2[nH+]ccn2C)c1 ZINC000032848100 524162396 /nfs/dbraw/zinc/16/23/96/524162396.db2.gz DCVYPMLNRIWOPG-FQEVSTJZSA-N 1 2 418.501 3.582 50 0 HHAALO Cc1nn2c(ncc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397675 526312756 /nfs/dbraw/zinc/31/27/56/526312756.db2.gz AXCSIFJZZSUZBC-UHFFFAOYSA-N 1 2 404.861 3.639 50 0 HHAALO Cc1nn2c(ncc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397675 526312764 /nfs/dbraw/zinc/31/27/64/526312764.db2.gz AXCSIFJZZSUZBC-UHFFFAOYSA-N 1 2 404.861 3.639 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(COc2ccc(F)cc2)o1 ZINC000032741134 526746213 /nfs/dbraw/zinc/74/62/13/526746213.db2.gz CARKFKFLRFVPIJ-UHFFFAOYSA-N 1 2 424.472 3.760 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1cccc2ccccc21 ZINC000022805160 526774266 /nfs/dbraw/zinc/77/42/66/526774266.db2.gz IUMXCPSRAWGREV-UHFFFAOYSA-N 1 2 401.510 3.531 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042080747 526782425 /nfs/dbraw/zinc/78/24/25/526782425.db2.gz OYIWMOZIWWEVAI-ZBFHGGJFSA-N 1 2 403.876 3.699 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042080745 526782760 /nfs/dbraw/zinc/78/27/60/526782760.db2.gz OYIWMOZIWWEVAI-GDBMZVCRSA-N 1 2 403.876 3.699 50 0 HHAALO O=C(c1c[nH+]c2ccccc2c1N1CCN(c2ccccn2)CC1)N1CCCCC1 ZINC000072328382 526877110 /nfs/dbraw/zinc/87/71/10/526877110.db2.gz HSUFVLRPZREKBM-UHFFFAOYSA-N 1 2 401.514 3.583 50 0 HHAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000036705518 527005269 /nfs/dbraw/zinc/00/52/69/527005269.db2.gz YVKUCXUQIRXECQ-UHFFFAOYSA-N 1 2 424.461 3.654 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000044380136 527462693 /nfs/dbraw/zinc/46/26/93/527462693.db2.gz KZHNQHZTFCOGHQ-GOSISDBHSA-N 1 2 407.367 3.863 50 0 HHAALO CC(=O)Nc1cccc(C(=O)NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000001036020 557150506 /nfs/dbraw/zinc/15/05/06/557150506.db2.gz FFCGILUAZPAESB-UHFFFAOYSA-N 1 2 403.885 3.832 50 0 HHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022907397 557852196 /nfs/dbraw/zinc/85/21/96/557852196.db2.gz KWQYCUYKQNJVME-HXUWFJFHSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022907397 557852198 /nfs/dbraw/zinc/85/21/98/557852198.db2.gz KWQYCUYKQNJVME-HXUWFJFHSA-N 1 2 423.900 3.787 50 0 HHAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000019733364 558260098 /nfs/dbraw/zinc/26/00/98/558260098.db2.gz NAEXLICUXPUTJS-UHFFFAOYSA-N 1 2 410.539 3.745 50 0 HHAALO CCn1c[nH+]cc1Cn1ccc(-c2cccc(-c3ccc(C(=O)N(C)C)cn3)c2)n1 ZINC000019794645 558283944 /nfs/dbraw/zinc/28/39/44/558283944.db2.gz XXDJBWITLYLJGE-UHFFFAOYSA-N 1 2 400.486 3.579 50 0 HHAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019831560 558291611 /nfs/dbraw/zinc/29/16/11/558291611.db2.gz MNRKBXNMLBYMRN-UHFFFAOYSA-N 1 2 400.931 4.000 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccccc3Br)CC2)c1 ZINC000019832123 558291878 /nfs/dbraw/zinc/29/18/78/558291878.db2.gz PODKBKIOCLNLSV-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO COc1ccc(OC)c(CN2CC[NH+](Cc3ccccc3Br)CC2)c1 ZINC000019832123 558291880 /nfs/dbraw/zinc/29/18/80/558291880.db2.gz PODKBKIOCLNLSV-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO O=C(CSCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973445 558316535 /nfs/dbraw/zinc/31/65/35/558316535.db2.gz MUQOHWHUOIKAAC-UHFFFAOYSA-N 1 2 418.946 3.646 50 0 HHAALO COc1cccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)c1 ZINC000020271142 558352864 /nfs/dbraw/zinc/35/28/64/558352864.db2.gz CCECIBGDBLVZJV-NRFANRHFSA-N 1 2 423.582 3.888 50 0 HHAALO COc1cccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)c1 ZINC000020271142 558352865 /nfs/dbraw/zinc/35/28/65/558352865.db2.gz CCECIBGDBLVZJV-NRFANRHFSA-N 1 2 423.582 3.888 50 0 HHAALO CCn1c(=O)c2c(nc1SCC(=O)c1ccc(F)cc1)sc1c2CC[N@@H+](C)C1 ZINC000020327950 558355816 /nfs/dbraw/zinc/35/58/16/558355816.db2.gz XSHLDDGJLKYDEB-UHFFFAOYSA-N 1 2 417.531 3.580 50 0 HHAALO CCn1c(=O)c2c(nc1SCC(=O)c1ccc(F)cc1)sc1c2CC[N@H+](C)C1 ZINC000020327950 558355818 /nfs/dbraw/zinc/35/58/18/558355818.db2.gz XSHLDDGJLKYDEB-UHFFFAOYSA-N 1 2 417.531 3.580 50 0 HHAALO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421517 558362011 /nfs/dbraw/zinc/36/20/11/558362011.db2.gz YGNJSKJVZZPYPP-DEOSSOPVSA-N 1 2 420.528 3.973 50 0 HHAALO CCCSc1nc2sc3c(c2c(NCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020443789 558363731 /nfs/dbraw/zinc/36/37/31/558363731.db2.gz WTDAOBHLVQWPEB-UHFFFAOYSA-N 1 2 422.620 3.789 50 0 HHAALO OCC[C@@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000020452614 558366793 /nfs/dbraw/zinc/36/67/93/558366793.db2.gz JSSUDFYYXWDONC-XMMPIXPASA-N 1 2 413.993 3.878 50 0 HHAALO OCC[C@@H]1CN(C2CCN(c3ccc(Cl)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000020452614 558366795 /nfs/dbraw/zinc/36/67/95/558366795.db2.gz JSSUDFYYXWDONC-XMMPIXPASA-N 1 2 413.993 3.878 50 0 HHAALO S=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020457817 558370724 /nfs/dbraw/zinc/37/07/24/558370724.db2.gz IRUFCWOTRXUZNS-UHFFFAOYSA-N 1 2 403.935 3.626 50 0 HHAALO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)n[nH]1 ZINC000012304735 558373807 /nfs/dbraw/zinc/37/38/07/558373807.db2.gz WSOPNXBYRIYTFS-UHFFFAOYSA-N 1 2 406.534 3.713 50 0 HHAALO CSc1ccccc1OCc1cc(C(=O)N(Cc2[nH+]ccn2C)C(C)C)no1 ZINC000012314401 558377711 /nfs/dbraw/zinc/37/77/11/558377711.db2.gz LMLLPPLBIAHUGA-UHFFFAOYSA-N 1 2 400.504 3.760 50 0 HHAALO O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290540 558476444 /nfs/dbraw/zinc/47/64/44/558476444.db2.gz RFXXUTJPIUPPHH-INIZCTEOSA-N 1 2 402.545 3.571 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1cccs1 ZINC000022800245 558512920 /nfs/dbraw/zinc/51/29/20/558512920.db2.gz XCLXJFLOJWKPMQ-LJQANCHMSA-N 1 2 403.979 3.883 50 0 HHAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC[C@@H]1c1cccs1 ZINC000022800245 558512922 /nfs/dbraw/zinc/51/29/22/558512922.db2.gz XCLXJFLOJWKPMQ-LJQANCHMSA-N 1 2 403.979 3.883 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013654829 558558722 /nfs/dbraw/zinc/55/87/22/558558722.db2.gz QRCJOEJTOCDGEJ-UTSGNWPNSA-N 1 2 419.431 3.736 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013654829 558558725 /nfs/dbraw/zinc/55/87/25/558558725.db2.gz QRCJOEJTOCDGEJ-UTSGNWPNSA-N 1 2 419.431 3.736 50 0 HHAALO C[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000023883189 558580430 /nfs/dbraw/zinc/58/04/30/558580430.db2.gz OSPDYAVEHLPFRR-QHCPKHFHSA-N 1 2 420.538 3.900 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H](O)C2)sc(C)c1-c1ccc(C)cc1 ZINC000023991911 558583754 /nfs/dbraw/zinc/58/37/54/558583754.db2.gz PPOLAZDKAWQWFV-QGZVFWFLSA-N 1 2 416.543 3.604 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H](O)C2)sc(C)c1-c1ccc(C)cc1 ZINC000023991911 558583758 /nfs/dbraw/zinc/58/37/58/558583758.db2.gz PPOLAZDKAWQWFV-QGZVFWFLSA-N 1 2 416.543 3.604 50 0 HHAALO CCC(=O)Nc1ccc(C2(C(=O)N3CCN(c4cccc[nH+]4)CC3)CCCCC2)cc1 ZINC000065027422 558593108 /nfs/dbraw/zinc/59/31/08/558593108.db2.gz MSHCEZHMZOFCMC-UHFFFAOYSA-N 1 2 420.557 3.981 50 0 HHAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1c2ccccc2Oc2ccccc21 ZINC000024294903 558594510 /nfs/dbraw/zinc/59/45/10/558594510.db2.gz ZSVPTLLXMNUDSL-HXUWFJFHSA-N 1 2 414.505 3.941 50 0 HHAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1c2ccccc2Oc2ccccc21 ZINC000024294903 558594512 /nfs/dbraw/zinc/59/45/12/558594512.db2.gz ZSVPTLLXMNUDSL-HXUWFJFHSA-N 1 2 414.505 3.941 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000014134612 558624169 /nfs/dbraw/zinc/62/41/69/558624169.db2.gz YPAQYNHEYWRAFE-LLVKDONJSA-N 1 2 412.715 3.965 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000014134612 558624173 /nfs/dbraw/zinc/62/41/73/558624173.db2.gz YPAQYNHEYWRAFE-LLVKDONJSA-N 1 2 412.715 3.965 50 0 HHAALO CC[C@H](c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1Cc1ccccc1)[NH+](C)C ZINC000024985303 558624783 /nfs/dbraw/zinc/62/47/83/558624783.db2.gz SHBSAXMKATXKBM-PKOBYXMFSA-N 1 2 415.607 3.690 50 0 HHAALO O=C([C@@H](c1ccccc1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCCCC1 ZINC000014139618 558624841 /nfs/dbraw/zinc/62/48/41/558624841.db2.gz FKJFCDONEULLFD-HSZRJFAPSA-N 1 2 418.541 3.720 50 0 HHAALO Cc1ccc2nc3c(SCCC(=O)NC(=O)NCc4ccccc4)[nH+][nH]cc-3c2c1 ZINC000025051954 558628712 /nfs/dbraw/zinc/62/87/12/558628712.db2.gz YKXNCCSRGPGJIN-UHFFFAOYSA-N 1 2 419.510 3.928 50 0 HHAALO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231827 558640117 /nfs/dbraw/zinc/64/01/17/558640117.db2.gz WKTZBOCWWWNZGW-VBKZILBWSA-N 1 2 422.367 3.975 50 0 HHAALO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231827 558640118 /nfs/dbraw/zinc/64/01/18/558640118.db2.gz WKTZBOCWWWNZGW-VBKZILBWSA-N 1 2 422.367 3.975 50 0 HHAALO COC(=O)c1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000025920521 558652370 /nfs/dbraw/zinc/65/23/70/558652370.db2.gz PQECBNYBAHWNQN-LLVKDONJSA-N 1 2 400.353 3.596 50 0 HHAALO COC(=O)c1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000025920521 558652373 /nfs/dbraw/zinc/65/23/73/558652373.db2.gz PQECBNYBAHWNQN-LLVKDONJSA-N 1 2 400.353 3.596 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000004535825 558655165 /nfs/dbraw/zinc/65/51/65/558655165.db2.gz IYNAIMHVPLZKIY-UHFFFAOYSA-N 1 2 418.526 3.921 50 0 HHAALO Cc1cc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000027545951 558674782 /nfs/dbraw/zinc/67/47/82/558674782.db2.gz RNXZVAPQXWGYFZ-UHFFFAOYSA-N 1 2 418.501 3.626 50 0 HHAALO O=S(=O)(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000028043110 558690097 /nfs/dbraw/zinc/69/00/97/558690097.db2.gz HKKXPUGTLXDGOU-UHFFFAOYSA-N 1 2 418.868 3.695 50 0 HHAALO O=S(=O)(NCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000028043110 558690100 /nfs/dbraw/zinc/69/01/00/558690100.db2.gz HKKXPUGTLXDGOU-UHFFFAOYSA-N 1 2 418.868 3.695 50 0 HHAALO COC(=O)COc1cc(C(=O)Nc2ccccc2Oc2cc[nH+]cc2)ccc1OC ZINC000072275576 558701209 /nfs/dbraw/zinc/70/12/09/558701209.db2.gz SDQAHTYPNHCIDB-UHFFFAOYSA-N 1 2 408.410 3.687 50 0 HHAALO COC(=O)c1c(C[N@@H+]2CCCC[C@@H]2C(N)=O)nc2ccccc2c1-c1ccccc1 ZINC000015479539 558740925 /nfs/dbraw/zinc/74/09/25/558740925.db2.gz YNZIZAOKGBRPGI-HXUWFJFHSA-N 1 2 403.482 3.528 50 0 HHAALO COC(=O)c1c(C[N@H+]2CCCC[C@@H]2C(N)=O)nc2ccccc2c1-c1ccccc1 ZINC000015479539 558740926 /nfs/dbraw/zinc/74/09/26/558740926.db2.gz YNZIZAOKGBRPGI-HXUWFJFHSA-N 1 2 403.482 3.528 50 0 HHAALO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC000072301779 558751823 /nfs/dbraw/zinc/75/18/23/558751823.db2.gz WLKCYKSYZKOREN-UHFFFAOYSA-N 1 2 419.504 3.660 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000015859890 558757665 /nfs/dbraw/zinc/75/76/65/558757665.db2.gz AGDZVTALUXFZGO-MRXNPFEDSA-N 1 2 400.862 3.996 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000034852546 558785098 /nfs/dbraw/zinc/78/50/98/558785098.db2.gz TZBILVOQHGHFCA-MRXNPFEDSA-N 1 2 417.937 3.855 50 0 HHAALO Cc1cccc(-c2ncc(CN3CC[N@H+](Cc4ccc(F)cc4)[C@H](CCO)C3)cn2)c1 ZINC000039479233 558821732 /nfs/dbraw/zinc/82/17/32/558821732.db2.gz VOOOUGWMFASOFD-XMMPIXPASA-N 1 2 420.532 3.660 50 0 HHAALO Cc1cccc(-c2ncc(CN3CC[N@@H+](Cc4ccc(F)cc4)[C@H](CCO)C3)cn2)c1 ZINC000039479233 558821733 /nfs/dbraw/zinc/82/17/33/558821733.db2.gz VOOOUGWMFASOFD-XMMPIXPASA-N 1 2 420.532 3.660 50 0 HHAALO Cc1cccc(-c2ncc(C[N@@H+]3CCN(Cc4ccc(F)cc4)[C@H](CCO)C3)cn2)c1 ZINC000039479233 558821734 /nfs/dbraw/zinc/82/17/34/558821734.db2.gz VOOOUGWMFASOFD-XMMPIXPASA-N 1 2 420.532 3.660 50 0 HHAALO Cc1cccc(-c2ncc(C[N@H+]3CCN(Cc4ccc(F)cc4)[C@H](CCO)C3)cn2)c1 ZINC000039479233 558821735 /nfs/dbraw/zinc/82/17/35/558821735.db2.gz VOOOUGWMFASOFD-XMMPIXPASA-N 1 2 420.532 3.660 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000018209946 558833547 /nfs/dbraw/zinc/83/35/47/558833547.db2.gz KOBSNTCMQVRZQT-DLBZAZTESA-N 1 2 418.423 3.560 50 0 HHAALO CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004597474 558833817 /nfs/dbraw/zinc/83/38/17/558833817.db2.gz DHRGEWSQJSHDEJ-HXUWFJFHSA-N 1 2 408.889 3.837 50 0 HHAALO COc1ccc(-c2coc3cc(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000013610043 558847344 /nfs/dbraw/zinc/84/73/44/558847344.db2.gz QWKILACOWHAAGS-CALCHBBNSA-N 1 2 409.482 3.957 50 0 biogenic HHAALO COc1ccc(-c2coc3cc(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000013610043 558847345 /nfs/dbraw/zinc/84/73/45/558847345.db2.gz QWKILACOWHAAGS-CALCHBBNSA-N 1 2 409.482 3.957 50 0 biogenic HHAALO CCOc1ccccc1CNC(=O)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034626 558858678 /nfs/dbraw/zinc/85/86/78/558858678.db2.gz BZERYDNSXSFNNV-UHFFFAOYSA-N 1 2 404.514 3.804 50 0 HHAALO O=S(=O)(c1ccccc1Cl)N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000022201242 558865204 /nfs/dbraw/zinc/86/52/04/558865204.db2.gz OTRCSGUZBLIBMQ-UHFFFAOYSA-N 1 2 414.955 3.578 50 0 HHAALO Cc1ccc2[nH+]c(COC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cn2c1 ZINC000011144262 558865826 /nfs/dbraw/zinc/86/58/26/558865826.db2.gz CVXZZQPLMNKMGP-INIZCTEOSA-N 1 2 401.875 3.842 50 0 HHAALO CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)[nH]n2)cc1 ZINC000072331253 558867584 /nfs/dbraw/zinc/86/75/84/558867584.db2.gz OJXNCZLUWYZBMT-UHFFFAOYSA-N 1 2 405.502 3.613 50 0 HHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019371401 558879199 /nfs/dbraw/zinc/87/91/99/558879199.db2.gz QWLZGIAFGFQUEL-GOSISDBHSA-N 1 2 419.525 3.902 50 0 HHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019371401 558879200 /nfs/dbraw/zinc/87/92/00/558879200.db2.gz QWLZGIAFGFQUEL-GOSISDBHSA-N 1 2 419.525 3.902 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000058281064 558916443 /nfs/dbraw/zinc/91/64/43/558916443.db2.gz CIRTUEYLRAVLIF-IBGZPJMESA-N 1 2 406.490 3.767 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cncnc2)nc2ccc(Cl)cc21 ZINC000063835240 558959254 /nfs/dbraw/zinc/95/92/54/558959254.db2.gz ZXQNFFJKHIAFAR-UHFFFAOYSA-N 1 2 406.877 3.741 50 0 HHAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)[nH+]c(C)n2)n1 ZINC000065365380 558976427 /nfs/dbraw/zinc/97/64/27/558976427.db2.gz DHQHVZHLWBTMHW-UHFFFAOYSA-N 1 2 419.533 3.559 50 0 HHAALO COC(=O)N1CC[NH+](Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)CC1 ZINC000072439733 558981525 /nfs/dbraw/zinc/98/15/25/558981525.db2.gz GFQIHELQWGABAN-UHFFFAOYSA-N 1 2 423.444 3.654 50 0 HHAALO COc1ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)C3CCCCC3)nc2c1 ZINC000022997528 558981800 /nfs/dbraw/zinc/98/18/00/558981800.db2.gz NZAQDPAHECXSMA-UHFFFAOYSA-N 1 2 417.575 3.941 50 0 HHAALO COc1ccc(CCC(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106402 559010166 /nfs/dbraw/zinc/01/01/66/559010166.db2.gz IPKOYQGTVXKXNM-VWLOTQADSA-N 1 2 418.537 3.971 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1cc2c(c(Cl)c1)OCO2)c1ccccc1F ZINC000098001781 559016468 /nfs/dbraw/zinc/01/64/68/559016468.db2.gz QOBZLHDGYRJFRB-RURPWVQCSA-N 1 2 413.836 3.860 50 0 HHAALO CCCc1noc([C@H](C)N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)n1 ZINC000089960486 559067377 /nfs/dbraw/zinc/06/73/77/559067377.db2.gz OOSHKYXVCOFCOH-HNNXBMFYSA-N 1 2 412.456 3.842 50 0 HHAALO O=C1C[N@@H+](CCCO)[C@@H](Cc2ccccc2)CN1c1cccc(-c2ccccc2)c1 ZINC000091779751 559073532 /nfs/dbraw/zinc/07/35/32/559073532.db2.gz GDRDYNIAYBSOMS-VWLOTQADSA-N 1 2 400.522 3.996 50 0 HHAALO O=C1C[N@H+](CCCO)[C@@H](Cc2ccccc2)CN1c1cccc(-c2ccccc2)c1 ZINC000091779751 559073534 /nfs/dbraw/zinc/07/35/34/559073534.db2.gz GDRDYNIAYBSOMS-VWLOTQADSA-N 1 2 400.522 3.996 50 0 HHAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000095518643 559084755 /nfs/dbraw/zinc/08/47/55/559084755.db2.gz AKRVFIWXLHMBBF-OAHLLOKOSA-N 1 2 400.910 3.992 50 0 HHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000011685865 559177187 /nfs/dbraw/zinc/17/71/87/559177187.db2.gz XZUYAGWJFYLTPW-GFCCVEGCSA-N 1 2 402.549 3.666 50 0 HHAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)cc1 ZINC000011695655 559188832 /nfs/dbraw/zinc/18/88/32/559188832.db2.gz BGMLCEWHJZVTTR-UHFFFAOYSA-N 1 2 404.514 3.930 50 0 HHAALO CCc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=S)cc1 ZINC000100752450 559263414 /nfs/dbraw/zinc/26/34/14/559263414.db2.gz KKACRSMSNMAPQG-HXUWFJFHSA-N 1 2 418.522 3.879 50 0 biogenic HHAALO Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)[nH+]c3)cc2c1 ZINC000046651813 560736024 /nfs/dbraw/zinc/73/60/24/560736024.db2.gz CRWFVNVLEWPVIU-IAGOWNOFSA-N 1 2 404.514 3.790 50 0 HHAALO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000206829732 560747251 /nfs/dbraw/zinc/74/72/51/560747251.db2.gz XHAXGXOQTDONCZ-IBGZPJMESA-N 1 2 413.930 3.959 50 0 HHAALO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000108983037 568420580 /nfs/dbraw/zinc/42/05/80/568420580.db2.gz AFGKGXBFNGSKOP-RXVVDRJESA-N 1 2 411.571 3.571 50 0 HHAALO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000108983037 568420581 /nfs/dbraw/zinc/42/05/81/568420581.db2.gz AFGKGXBFNGSKOP-RXVVDRJESA-N 1 2 411.571 3.571 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000048252328 568434271 /nfs/dbraw/zinc/43/42/71/568434271.db2.gz BRTDLXUNTFSATR-JOCHJYFZSA-N 1 2 409.530 3.950 50 0 HHAALO CCOC(=O)c1cc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)cc(C(=O)OCC)c1 ZINC000014889458 568442905 /nfs/dbraw/zinc/44/29/05/568442905.db2.gz XJALTXODTCVSND-UHFFFAOYSA-N 1 2 423.469 3.591 50 0 HHAALO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000049403259 568448170 /nfs/dbraw/zinc/44/81/70/568448170.db2.gz PYPFEQDDNSJMNH-UHFFFAOYSA-N 1 2 406.486 3.872 50 0 HHAALO O=C(c1cccc(Nc2ncccn2)c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000024666878 568456306 /nfs/dbraw/zinc/45/63/06/568456306.db2.gz SRGXWQUIBVEBFW-UHFFFAOYSA-N 1 2 407.905 3.832 50 0 HHAALO CC(C)n1nccc1NC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000007777323 568484506 /nfs/dbraw/zinc/48/45/06/568484506.db2.gz TYMBJPYWQIZGGL-CQSZACIVSA-N 1 2 407.503 3.712 50 0 HHAALO CC(C)Oc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020038335 568586769 /nfs/dbraw/zinc/58/67/69/568586769.db2.gz ZJVCYHHMPUWDCV-UHFFFAOYSA-N 1 2 419.525 3.751 50 0 HHAALO CCCCc1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020171660 568592428 /nfs/dbraw/zinc/59/24/28/568592428.db2.gz VTCDLEZPALOQJC-UHFFFAOYSA-N 1 2 411.575 3.815 50 0 HHAALO COc1ccccc1-c1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)[nH]n1 ZINC000095473258 568628734 /nfs/dbraw/zinc/62/87/34/568628734.db2.gz BOPBTAMBEVBIRB-JXMROGBWSA-N 1 2 402.498 3.557 50 0 HHAALO Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000225486214 568642119 /nfs/dbraw/zinc/64/21/19/568642119.db2.gz GSNCMCOJXAZIAG-HXUWFJFHSA-N 1 2 408.502 3.567 50 0 HHAALO Cn1cc(-c2nc(C[N@H+](C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cs2)cn1 ZINC000095954497 568668786 /nfs/dbraw/zinc/66/87/86/568668786.db2.gz PXSKFRIWOJMUPO-DLBZAZTESA-N 1 2 409.342 3.941 50 0 HHAALO Cn1cc(-c2nc(C[N@@H+](C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cs2)cn1 ZINC000095954497 568668789 /nfs/dbraw/zinc/66/87/89/568668789.db2.gz PXSKFRIWOJMUPO-DLBZAZTESA-N 1 2 409.342 3.941 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1ccc(OC)cc1 ZINC000096317555 568676024 /nfs/dbraw/zinc/67/60/24/568676024.db2.gz QZELWFIEPYALLC-UHFFFAOYSA-N 1 2 410.562 3.642 50 0 HHAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCCC2)n1 ZINC000096101206 568691143 /nfs/dbraw/zinc/69/11/43/568691143.db2.gz UHDGDVJYFLMIIR-UHFFFAOYSA-N 1 2 407.562 3.548 50 0 HHAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316841 568725900 /nfs/dbraw/zinc/72/59/00/568725900.db2.gz QXWJMSLZEHJRAP-UHFFFAOYSA-N 1 2 409.578 3.865 50 0 HHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460536 568768493 /nfs/dbraw/zinc/76/84/93/568768493.db2.gz SIFYLFCERPLKRX-DNVCBOLYSA-N 1 2 406.596 3.941 50 0 HHAALO COc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccco1 ZINC000022469155 568768770 /nfs/dbraw/zinc/76/87/70/568768770.db2.gz DPQXIPVERNEUDE-UHFFFAOYSA-N 1 2 423.966 3.863 50 0 HHAALO COc1ccc2c(CNc3ccc([NH+]4CCCCC4)cc3C(N)=O)cc(=O)oc2c1 ZINC000097220728 568769803 /nfs/dbraw/zinc/76/98/03/568769803.db2.gz ZSXPVCVHIJEMCF-UHFFFAOYSA-N 1 2 407.470 3.503 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(OCC)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000002650835 568796320 /nfs/dbraw/zinc/79/63/20/568796320.db2.gz HSBATQADUJQOEF-UHFFFAOYSA-N 1 2 423.435 3.792 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000002650835 568796322 /nfs/dbraw/zinc/79/63/22/568796322.db2.gz HSBATQADUJQOEF-UHFFFAOYSA-N 1 2 423.435 3.792 50 0 HHAALO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000028835766 568810757 /nfs/dbraw/zinc/81/07/57/568810757.db2.gz UDJGLNODTLUVNN-KRWDZBQOSA-N 1 2 409.511 3.634 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3cccc(C)c3)co2)CC1 ZINC000056949871 568822023 /nfs/dbraw/zinc/82/20/23/568822023.db2.gz STOWJCMRHYPZBV-UHFFFAOYSA-N 1 2 420.509 3.858 50 0 HHAALO C[C@@H](NC(=O)COc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012507777 568839947 /nfs/dbraw/zinc/83/99/47/568839947.db2.gz MIKMWVPTWUZIQS-CQSZACIVSA-N 1 2 400.276 3.891 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000003215219 568846898 /nfs/dbraw/zinc/84/68/98/568846898.db2.gz UVYJALIDEJSBQJ-UHFFFAOYSA-N 1 2 401.470 3.565 50 0 HHAALO CCN(C(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)c1nc2ccccc2s1 ZINC000057756360 568860096 /nfs/dbraw/zinc/86/00/96/568860096.db2.gz URRXPFFPKKHSNQ-UHFFFAOYSA-N 1 2 422.554 3.544 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)Oc1ccccc1 ZINC000058135966 568890252 /nfs/dbraw/zinc/89/02/52/568890252.db2.gz ARVYTELISUJFEY-HSZRJFAPSA-N 1 2 420.488 3.873 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058135953 568890328 /nfs/dbraw/zinc/89/03/28/568890328.db2.gz MRWCTSDYTYUYNU-HSZRJFAPSA-N 1 2 404.489 3.514 50 0 HHAALO Cc1cc(NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)no1 ZINC000003376059 568891280 /nfs/dbraw/zinc/89/12/80/568891280.db2.gz MMDCXMBPIZALCV-LBPRGKRZSA-N 1 2 420.926 3.571 50 0 HHAALO Cc1coc2c1cc1c(C)c(CCC(=O)NCCCn3cc[nH+]c3)c(=O)oc1c2C ZINC000003985139 568931193 /nfs/dbraw/zinc/93/11/93/568931193.db2.gz JPKOGSRBGUXTOA-UHFFFAOYSA-N 1 2 407.470 3.800 50 0 biogenic HHAALO CNC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012747238 568933124 /nfs/dbraw/zinc/93/31/24/568933124.db2.gz BKYJTTKQCIMOBY-JOCHJYFZSA-N 1 2 405.523 3.694 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012747238 568933125 /nfs/dbraw/zinc/93/31/25/568933125.db2.gz BKYJTTKQCIMOBY-JOCHJYFZSA-N 1 2 405.523 3.694 50 0 HHAALO CC(C)OC(=O)N1CCC(NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)[NH+](C)C)CC1 ZINC000084621861 568953420 /nfs/dbraw/zinc/95/34/20/568953420.db2.gz LIDOYKXTFGIAFH-KRWDZBQOSA-N 1 2 416.349 3.722 50 0 HHAALO CCOc1ccc(CN2CC[N@H+](Cc3ccc(SC)cc3)C[C@H]2CCO)cc1 ZINC000104334854 569008316 /nfs/dbraw/zinc/00/83/16/569008316.db2.gz BTFJEQVQNXNDFY-OAQYLSRUSA-N 1 2 400.588 3.876 50 0 HHAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(SC)cc3)C[C@H]2CCO)cc1 ZINC000104334854 569008317 /nfs/dbraw/zinc/00/83/17/569008317.db2.gz BTFJEQVQNXNDFY-OAQYLSRUSA-N 1 2 400.588 3.876 50 0 HHAALO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012900546 569020748 /nfs/dbraw/zinc/02/07/48/569020748.db2.gz YLSPHYANDUDRCG-UHFFFAOYSA-N 1 2 411.889 3.551 50 0 HHAALO CCC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC)C2=O ZINC000012936652 569027328 /nfs/dbraw/zinc/02/73/28/569027328.db2.gz XWLKLSDYOKBOJY-DWVUQKNYSA-N 1 2 415.534 3.689 50 0 HHAALO CCC1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC)C2=O ZINC000012936652 569027329 /nfs/dbraw/zinc/02/73/29/569027329.db2.gz XWLKLSDYOKBOJY-DWVUQKNYSA-N 1 2 415.534 3.689 50 0 HHAALO Cn1cccc1-c1noc(C2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)n1 ZINC000575551081 569030435 /nfs/dbraw/zinc/03/04/35/569030435.db2.gz CZHNJUWKYOSCLK-UHFFFAOYSA-N 1 2 408.437 3.644 50 0 HHAALO O=C(NC1CCC(C(F)(F)F)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000026298738 569031164 /nfs/dbraw/zinc/03/11/64/569031164.db2.gz YQTROZBABHSKLC-UHFFFAOYSA-N 1 2 411.468 3.570 50 0 HHAALO CCc1cccc2c(C(=O)C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)c[nH]c21 ZINC000053517375 569031248 /nfs/dbraw/zinc/03/12/48/569031248.db2.gz KJROBXOFKNLBCN-UHFFFAOYSA-N 1 2 402.498 3.893 50 0 HHAALO COc1ccc([C@H](CNC(=O)/C=C/c2cccc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000013095748 569043571 /nfs/dbraw/zinc/04/35/71/569043571.db2.gz OPTYRNKGUQCNPT-XFYVYHTKSA-N 1 2 400.906 3.552 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000245325623 569055924 /nfs/dbraw/zinc/05/59/24/569055924.db2.gz GQLRENDWKGVWJH-UZLBHIALSA-N 1 2 408.498 3.572 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000245325623 569055925 /nfs/dbraw/zinc/05/59/25/569055925.db2.gz GQLRENDWKGVWJH-UZLBHIALSA-N 1 2 408.498 3.572 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1 ZINC000054225070 569061299 /nfs/dbraw/zinc/06/12/99/569061299.db2.gz NDMGCXUZFQYMLE-UHFFFAOYSA-N 1 2 408.727 3.863 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000006541461 569064756 /nfs/dbraw/zinc/06/47/56/569064756.db2.gz BAWREIHLGHZRQT-HNNXBMFYSA-N 1 2 402.438 3.804 50 0 HHAALO Cc1ccc(C)c(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)c1 ZINC000064611386 569071415 /nfs/dbraw/zinc/07/14/15/569071415.db2.gz OOPSNSFIBRVFBW-VWLOTQADSA-N 1 2 419.569 3.532 50 0 HHAALO Cc1ccc(C)c(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)c1 ZINC000064611386 569071416 /nfs/dbraw/zinc/07/14/16/569071416.db2.gz OOPSNSFIBRVFBW-VWLOTQADSA-N 1 2 419.569 3.532 50 0 HHAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1 ZINC000426399350 569072762 /nfs/dbraw/zinc/07/27/62/569072762.db2.gz FCSDQYOQFRZTLM-HNNXBMFYSA-N 1 2 404.474 3.653 50 0 HHAALO CC[C@H](C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036252081 569119648 /nfs/dbraw/zinc/11/96/48/569119648.db2.gz DZLAOLUXDJWKRC-OXJNMPFZSA-N 1 2 405.970 3.571 50 0 HHAALO CC(C)(C)CC(=O)N1CC[NH+]([C@@H](C(=O)NCc2cccc(F)c2)C2CCCC2)CC1 ZINC000036254824 569120085 /nfs/dbraw/zinc/12/00/85/569120085.db2.gz MRQCDDZNNXAXEO-JOCHJYFZSA-N 1 2 417.569 3.581 50 0 HHAALO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310548 569131790 /nfs/dbraw/zinc/13/17/90/569131790.db2.gz NXOQIHLHLGQYPQ-GHTZIAJQSA-N 1 2 400.567 3.557 50 0 HHAALO CCNC(=O)N1CC[NH+]([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311061 569132176 /nfs/dbraw/zinc/13/21/76/569132176.db2.gz KUFSCGYGLTZAJR-NRFANRHFSA-N 1 2 400.567 3.654 50 0 HHAALO COc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000065184125 569191255 /nfs/dbraw/zinc/19/12/55/569191255.db2.gz XSWVZHQKIYEWRY-UHFFFAOYSA-N 1 2 406.486 3.872 50 0 HHAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000065259893 569210895 /nfs/dbraw/zinc/21/08/95/569210895.db2.gz JABTVKBLIMCFJB-QFIPXVFZSA-N 1 2 412.921 3.707 50 0 HHAALO O=C(c1cccc(F)c1)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265879 569213059 /nfs/dbraw/zinc/21/30/59/569213059.db2.gz HYVOKRREUUTCJV-XMMPIXPASA-N 1 2 406.505 3.776 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc4c(c3)OCO4)CC2)nc[nH+]1 ZINC000065274080 569214866 /nfs/dbraw/zinc/21/48/66/569214866.db2.gz AEJYXXXBVYAICO-UHFFFAOYSA-N 1 2 411.506 3.663 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc4c(c3)OCO4)CC2)[nH+]cn1 ZINC000065274080 569214867 /nfs/dbraw/zinc/21/48/67/569214867.db2.gz AEJYXXXBVYAICO-UHFFFAOYSA-N 1 2 411.506 3.663 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccccc3Cl)CC2)nc[nH+]1 ZINC000065274057 569214958 /nfs/dbraw/zinc/21/49/58/569214958.db2.gz LQYMPEFCEVEHBU-UHFFFAOYSA-N 1 2 401.942 3.875 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccccc3Cl)CC2)[nH+]cn1 ZINC000065274057 569214959 /nfs/dbraw/zinc/21/49/59/569214959.db2.gz LQYMPEFCEVEHBU-UHFFFAOYSA-N 1 2 401.942 3.875 50 0 HHAALO CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000065295476 569218766 /nfs/dbraw/zinc/21/87/66/569218766.db2.gz LGJZPMASNOXSOQ-UHFFFAOYSA-N 1 2 418.423 3.720 50 0 HHAALO O=C(Cc1noc2ccccc12)Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000036705799 569221964 /nfs/dbraw/zinc/22/19/64/569221964.db2.gz JNYYLHMFTLMGPX-UHFFFAOYSA-N 1 2 411.425 3.728 50 0 HHAALO CC(C)(C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700209 569222669 /nfs/dbraw/zinc/22/26/69/569222669.db2.gz SYOHEJGDYOQGQO-QFIPXVFZSA-N 1 2 416.587 3.726 50 0 HHAALO CC(C)(C)c1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700209 569222670 /nfs/dbraw/zinc/22/26/70/569222670.db2.gz SYOHEJGDYOQGQO-QFIPXVFZSA-N 1 2 416.587 3.726 50 0 HHAALO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CCc3nc4ccccc4s3)c2)CC1 ZINC000170602466 569243791 /nfs/dbraw/zinc/24/37/91/569243791.db2.gz TZKLEXATLYJQPI-UHFFFAOYSA-N 1 2 422.554 3.532 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000089840339 569266991 /nfs/dbraw/zinc/26/69/91/569266991.db2.gz HSNVOWSBKITEMX-CTNGQTDRSA-N 1 2 406.448 3.994 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000089840339 569266992 /nfs/dbraw/zinc/26/69/92/569266992.db2.gz HSNVOWSBKITEMX-CTNGQTDRSA-N 1 2 406.448 3.994 50 0 HHAALO COc1cccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)c1OC ZINC000017013508 569271769 /nfs/dbraw/zinc/27/17/69/569271769.db2.gz UGIVYTHKATWDRY-UHFFFAOYSA-N 1 2 407.474 3.864 50 0 HHAALO CC(C)c1[nH]c2ccc(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000252539163 569293189 /nfs/dbraw/zinc/29/31/89/569293189.db2.gz NUUNOGCMDPQQKY-QGZVFWFLSA-N 1 2 405.458 3.805 50 0 HHAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)Cc1ccsc1 ZINC000007806520 569311911 /nfs/dbraw/zinc/31/19/11/569311911.db2.gz FWSXKQJOUHCCFQ-UHFFFAOYSA-N 1 2 407.539 3.791 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)Cc1ccsc1 ZINC000007806520 569311912 /nfs/dbraw/zinc/31/19/12/569311912.db2.gz FWSXKQJOUHCCFQ-UHFFFAOYSA-N 1 2 407.539 3.791 50 0 HHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)CC1 ZINC000007812095 569312321 /nfs/dbraw/zinc/31/23/21/569312321.db2.gz FZFACAOVBBGZJF-OAQYLSRUSA-N 1 2 423.513 3.541 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000055211047 569394005 /nfs/dbraw/zinc/39/40/05/569394005.db2.gz QHCFYBBQLJWTJK-UHFFFAOYSA-N 1 2 413.827 3.999 50 0 HHAALO O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012852384 569404088 /nfs/dbraw/zinc/40/40/88/569404088.db2.gz KBHOUKZOTXQOSI-QPJJXVBHSA-N 1 2 420.488 3.666 50 0 HHAALO CCOc1cc(C[N@H+](Cc2ccccc2F)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000078995864 569423080 /nfs/dbraw/zinc/42/30/80/569423080.db2.gz ASDIOJJOAHWNMK-UHFFFAOYSA-N 1 2 409.387 3.846 50 0 HHAALO CCOc1cc(C[N@@H+](Cc2ccccc2F)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000078995864 569423081 /nfs/dbraw/zinc/42/30/81/569423081.db2.gz ASDIOJJOAHWNMK-UHFFFAOYSA-N 1 2 409.387 3.846 50 0 HHAALO O=C(c1c[nH+]c2ccc(F)cc2c1N1CCN(c2ccccc2)CC1)N1CCCC1 ZINC000067287968 571065655 /nfs/dbraw/zinc/06/56/55/571065655.db2.gz BVDHCSURCPBGKS-UHFFFAOYSA-N 1 2 404.489 3.937 50 0 HHAALO O=C(CCC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Br)cc1 ZINC000039975987 571135630 /nfs/dbraw/zinc/13/56/30/571135630.db2.gz WKLFSBLEWGGQNW-UHFFFAOYSA-N 1 2 421.360 3.818 50 0 HHAALO COc1cc(CNC(=O)C[N@@H+]2CCn3cccc3[C@H]2C)ccc1OCc1ccccc1 ZINC000039990538 571136663 /nfs/dbraw/zinc/13/66/63/571136663.db2.gz CVPUZOGEKUUDCP-LJQANCHMSA-N 1 2 419.525 3.769 50 0 HHAALO COc1cc(CNC(=O)C[N@H+]2CCn3cccc3[C@H]2C)ccc1OCc1ccccc1 ZINC000039990538 571136665 /nfs/dbraw/zinc/13/66/65/571136665.db2.gz CVPUZOGEKUUDCP-LJQANCHMSA-N 1 2 419.525 3.769 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1OC[C@@H]1CCCO1 ZINC000040013752 571138767 /nfs/dbraw/zinc/13/87/67/571138767.db2.gz IVBDSIQXABUBRT-KRWDZBQOSA-N 1 2 401.532 3.939 50 0 HHAALO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000040023401 571139458 /nfs/dbraw/zinc/13/94/58/571139458.db2.gz BJTQSTIXJZEGTP-LJQANCHMSA-N 1 2 400.544 3.717 50 0 HHAALO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000040023401 571139459 /nfs/dbraw/zinc/13/94/59/571139459.db2.gz BJTQSTIXJZEGTP-LJQANCHMSA-N 1 2 400.544 3.717 50 0 HHAALO CCN(Cc1ccc2c(c1)OCCO2)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040068783 571148923 /nfs/dbraw/zinc/14/89/23/571148923.db2.gz LRTCCKPYJWKFJS-KRWDZBQOSA-N 1 2 406.486 3.936 50 0 HHAALO CCC(=O)N1CCc2cc(C(=O)N3CC[NH+](Cc4cccc(Cl)c4)CC3)ccc21 ZINC000040143579 571194085 /nfs/dbraw/zinc/19/40/85/571194085.db2.gz KZBKTSAIIAIGGI-UHFFFAOYSA-N 1 2 411.933 3.597 50 0 HHAALO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000040154192 571201615 /nfs/dbraw/zinc/20/16/15/571201615.db2.gz ZENFXRUJCLHMFQ-UHFFFAOYSA-N 1 2 409.465 3.586 50 0 HHAALO CCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)s1 ZINC000069380833 571224933 /nfs/dbraw/zinc/22/49/33/571224933.db2.gz YOKASVATIGJMRY-UHFFFAOYSA-N 1 2 421.588 3.926 50 0 HHAALO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)[NH+]2CCCCC2)cc1 ZINC000009314419 571247321 /nfs/dbraw/zinc/24/73/21/571247321.db2.gz RADJJKXNUWCXHH-MRXNPFEDSA-N 1 2 414.980 3.916 50 0 HHAALO C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378140 571253350 /nfs/dbraw/zinc/25/33/50/571253350.db2.gz CPZPZJCZKIVFBH-QUCCMNQESA-N 1 2 417.513 3.994 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)NCCc1ccccc1 ZINC000009517722 571265406 /nfs/dbraw/zinc/26/54/06/571265406.db2.gz FZWFKDMAURZOPG-UHFFFAOYSA-N 1 2 423.929 3.920 50 0 HHAALO Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(C)n2n1 ZINC000009646045 571276455 /nfs/dbraw/zinc/27/64/55/571276455.db2.gz WBOVXBFPMPTUMM-INIZCTEOSA-N 1 2 402.502 3.650 50 0 HHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)nn2-c2ccccc2)c(OC)c1 ZINC000009744821 571283791 /nfs/dbraw/zinc/28/37/91/571283791.db2.gz LCNLTPMAVBNGDS-OAQYLSRUSA-N 1 2 420.513 3.974 50 0 HHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)nn2-c2ccccc2)c(OC)c1 ZINC000009744821 571283793 /nfs/dbraw/zinc/28/37/93/571283793.db2.gz LCNLTPMAVBNGDS-OAQYLSRUSA-N 1 2 420.513 3.974 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc(C2CC2)on1 ZINC000077200634 571313052 /nfs/dbraw/zinc/31/30/52/571313052.db2.gz UUCLZMUSOUUDMH-HXUWFJFHSA-N 1 2 424.476 3.577 50 0 HHAALO CC[C@H]1Cn2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc3c2c(ccc3Cl)O1 ZINC000035477481 571316779 /nfs/dbraw/zinc/31/67/79/571316779.db2.gz NLAWYLDJKBNFGM-HNNXBMFYSA-N 1 2 410.905 3.823 50 0 HHAALO O=C(CSc1ccc(-c2ccccc2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035730013 571317094 /nfs/dbraw/zinc/31/70/94/571317094.db2.gz UVVFCOACYXCULL-UHFFFAOYSA-N 1 2 404.539 3.580 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc2c(c(Br)c1)OCO2 ZINC000195618707 571317703 /nfs/dbraw/zinc/31/77/03/571317703.db2.gz XYMSARLKQLKGRK-UHFFFAOYSA-N 1 2 424.320 3.873 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000007677229 961279887 /nfs/dbraw/zinc/27/98/87/961279887.db2.gz GKCGPIMUJSQLQX-KRWDZBQOSA-N 1 2 408.542 3.818 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000007677229 961279900 /nfs/dbraw/zinc/27/99/00/961279900.db2.gz GKCGPIMUJSQLQX-KRWDZBQOSA-N 1 2 408.542 3.818 50 0 HHAALO C[C@H](CNC(=O)/C=C/c1ccccc1Cl)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000019742213 963373978 /nfs/dbraw/zinc/37/39/78/963373978.db2.gz QGYUCNIYTRHFIT-QZEKMECESA-N 1 2 414.933 3.769 50 0 HHAALO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3csc(C(C)=O)c3)C1)CC2 ZINC000020272253 963386254 /nfs/dbraw/zinc/38/62/54/963386254.db2.gz OGQWMKCNUZXABU-FQEVSTJZSA-N 1 2 414.571 3.991 50 0 HHAALO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3csc(C(C)=O)c3)C1)CC2 ZINC000020272253 963386259 /nfs/dbraw/zinc/38/62/59/963386259.db2.gz OGQWMKCNUZXABU-FQEVSTJZSA-N 1 2 414.571 3.991 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000022772668 963712960 /nfs/dbraw/zinc/71/29/60/963712960.db2.gz BFLLWPHEMIXHOU-JTPHSUOKSA-N 1 2 423.557 3.710 50 0 HHAALO COc1cc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000023732426 963881031 /nfs/dbraw/zinc/88/10/31/963881031.db2.gz MBPZPVMWDKWRLX-JXMROGBWSA-N 1 2 424.541 3.503 50 0 HHAALO CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000039364272 966492252 /nfs/dbraw/zinc/49/22/52/966492252.db2.gz SYQRIQYJBZINKB-FQEVSTJZSA-N 1 2 408.567 3.888 50 0 HHAALO CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000039364272 966492254 /nfs/dbraw/zinc/49/22/54/966492254.db2.gz SYQRIQYJBZINKB-FQEVSTJZSA-N 1 2 408.567 3.888 50 0 HHAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000096630306 969049119 /nfs/dbraw/zinc/04/91/19/969049119.db2.gz KSNNHQISDXBXPB-YVMONPNESA-N 1 2 403.448 3.975 50 0 HHAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000096873356 969053683 /nfs/dbraw/zinc/05/36/83/969053683.db2.gz YKNSGSHSEHZAPZ-TWGQIWQCSA-N 1 2 404.558 3.556 50 0 HHAALO CN(CCc1ccccc1)C(=O)CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000169792981 970483247 /nfs/dbraw/zinc/48/32/47/970483247.db2.gz OQAFNHVNYPQIOB-UHFFFAOYSA-N 1 2 407.562 3.749 50 0 HHAALO CN(CCc1ccccc1)C(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000169792981 970483258 /nfs/dbraw/zinc/48/32/58/970483258.db2.gz OQAFNHVNYPQIOB-UHFFFAOYSA-N 1 2 407.562 3.749 50 0 HHAALO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CC(=O)N1CCC[C@H]1c1ccccc1OC)C2 ZINC000299793876 970723682 /nfs/dbraw/zinc/72/36/82/970723682.db2.gz KLAUQPQMTSBYEQ-UTKZUKDTSA-N 1 2 410.514 3.650 50 0 HHAALO COc1ccc2c(c1)O[C@H](C)C[N@H+](CC(=O)N1CCC[C@H]1c1ccccc1OC)C2 ZINC000299793876 970723692 /nfs/dbraw/zinc/72/36/92/970723692.db2.gz KLAUQPQMTSBYEQ-UTKZUKDTSA-N 1 2 410.514 3.650 50 0 HHAALO Cc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011077352 132347452 /nfs/dbraw/zinc/34/74/52/132347452.db2.gz WINOZIAEZFONRB-MRXNPFEDSA-N 1 2 402.926 3.678 50 0 HHAALO Cc1cc(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012770878 132366898 /nfs/dbraw/zinc/36/68/98/132366898.db2.gz QIMKSEKKBGZDJE-UHFFFAOYSA-N 1 2 422.360 3.976 50 0 HHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032970861 519374509 /nfs/dbraw/zinc/37/45/09/519374509.db2.gz LZLSKKMODGTZAY-FQEVSTJZSA-N 1 2 402.922 3.515 50 0 HHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032970861 519374518 /nfs/dbraw/zinc/37/45/18/519374518.db2.gz LZLSKKMODGTZAY-FQEVSTJZSA-N 1 2 402.922 3.515 50 0 HHAALO CCCCNC(=O)C[NH+]1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC000032735913 520617912 /nfs/dbraw/zinc/61/79/12/520617912.db2.gz NCIFKOPYNHSDLS-UHFFFAOYSA-N 1 2 402.542 3.940 50 0 HHAALO COc1ccc(-c2coc3cc(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 ZINC000020591510 523158018 /nfs/dbraw/zinc/15/80/18/523158018.db2.gz QWKILACOWHAAGS-IRXDYDNUSA-N 1 2 409.482 3.957 50 0 biogenic HHAALO COc1ccc(C[NH+]2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)cc1F ZINC000032900415 524030771 /nfs/dbraw/zinc/03/07/71/524030771.db2.gz NZSFLPYIYSYIJW-UHFFFAOYSA-N 1 2 423.488 3.685 50 0 HHAALO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000027435747 524893288 /nfs/dbraw/zinc/89/32/88/524893288.db2.gz MLEHYUNPVWPIED-UHFFFAOYSA-N 1 2 403.885 3.620 50 0 HHAALO Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000032930760 524903895 /nfs/dbraw/zinc/90/38/95/524903895.db2.gz BDRLCEFLVGLNMY-QGZVFWFLSA-N 1 2 417.937 3.744 50 0 HHAALO COc1ccc([C@@H](NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c2[nH+]ccn2C)cc1 ZINC000032613766 525199049 /nfs/dbraw/zinc/19/90/49/525199049.db2.gz SKUYEYIPFASPNV-OAQYLSRUSA-N 1 2 419.460 3.581 50 0 HHAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)ccc1Cl ZINC000032247913 526551598 /nfs/dbraw/zinc/55/15/98/526551598.db2.gz NLZJLQDJIFEPJI-MRXNPFEDSA-N 1 2 423.738 3.733 50 0 HHAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)ccc1Cl ZINC000032247913 526551606 /nfs/dbraw/zinc/55/16/06/526551606.db2.gz NLZJLQDJIFEPJI-MRXNPFEDSA-N 1 2 423.738 3.733 50 0 HHAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Br)ccc1Cl ZINC000032247915 526621975 /nfs/dbraw/zinc/62/19/75/526621975.db2.gz NLZJLQDJIFEPJI-INIZCTEOSA-N 1 2 423.738 3.733 50 0 HHAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Br)ccc1Cl ZINC000032247915 526621977 /nfs/dbraw/zinc/62/19/77/526621977.db2.gz NLZJLQDJIFEPJI-INIZCTEOSA-N 1 2 423.738 3.733 50 0 HHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000032860029 526750130 /nfs/dbraw/zinc/75/01/30/526750130.db2.gz VFHIWSCOCRWUSR-QFIPXVFZSA-N 1 2 424.504 3.754 50 0 HHAALO Cc1sc2nc(C)nc(N3CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)c2c1C ZINC000032717256 526888742 /nfs/dbraw/zinc/88/87/42/526888742.db2.gz IQXMUHVSBNVTRM-UHFFFAOYSA-N 1 2 423.586 3.994 50 0 HHAALO O=C(c1cnn2cccnc12)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809442 526892978 /nfs/dbraw/zinc/89/29/78/526892978.db2.gz UNZKDYCMELFRNL-UHFFFAOYSA-N 1 2 421.501 3.555 50 0 HHAALO COc1ccc2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)c(C)nc2c1 ZINC000011077740 537031614 /nfs/dbraw/zinc/03/16/14/537031614.db2.gz URCFOGFROCLDNS-UHFFFAOYSA-N 1 2 419.529 3.736 50 0 HHAALO COc1ccc2cc(/C=C3/SC(=N)N(C(C)=O)C3=O)c(N3CCCCC3)[nH+]c2c1 ZINC000004739703 537031670 /nfs/dbraw/zinc/03/16/70/537031670.db2.gz HEYFUWTZQNZNTL-QDZAYQOHSA-N 1 2 410.499 3.631 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000002194712 537071969 /nfs/dbraw/zinc/07/19/69/537071969.db2.gz FBPGDCNUASPRIY-UHFFFAOYSA-N 1 2 420.904 3.804 50 0 HHAALO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)Cn3c(C)[nH+]c4ccccc43)cc21 ZINC000000644357 557034390 /nfs/dbraw/zinc/03/43/90/557034390.db2.gz GGUNLVLBVWXPDD-QGZVFWFLSA-N 1 2 421.497 3.761 50 0 HHAALO COc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000001459759 557268083 /nfs/dbraw/zinc/26/80/83/557268083.db2.gz RNQJSCFOYDZTNE-UHFFFAOYSA-N 1 2 404.518 3.661 50 0 HHAALO CCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855794 557477336 /nfs/dbraw/zinc/47/73/36/557477336.db2.gz WXJXQBWMNRPMMM-WNSKOXEYSA-N 1 2 400.494 3.857 50 0 HHAALO CCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855794 557477338 /nfs/dbraw/zinc/47/73/38/557477338.db2.gz WXJXQBWMNRPMMM-WNSKOXEYSA-N 1 2 400.494 3.857 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022767500 557815309 /nfs/dbraw/zinc/81/53/09/557815309.db2.gz NMRJZPXASTUBAR-NRFANRHFSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022767500 557815312 /nfs/dbraw/zinc/81/53/12/557815312.db2.gz NMRJZPXASTUBAR-NRFANRHFSA-N 1 2 416.543 3.965 50 0 HHAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(Cl)cc3s2)no1 ZINC000022768258 557818590 /nfs/dbraw/zinc/81/85/90/557818590.db2.gz CXZNQLQZRMSYNA-UHFFFAOYSA-N 1 2 420.922 3.615 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[NH+]1CCCCC1)S2 ZINC000022853146 557840055 /nfs/dbraw/zinc/84/00/55/557840055.db2.gz IUQKGIDKOBVNIN-KRWDZBQOSA-N 1 2 402.520 3.651 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000011664767 558268341 /nfs/dbraw/zinc/26/83/41/558268341.db2.gz NLDSWOKXSZEOLV-GOSISDBHSA-N 1 2 404.417 3.573 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794688 558284035 /nfs/dbraw/zinc/28/40/35/558284035.db2.gz FXCBDRDNWHMBSG-QHCPKHFHSA-N 1 2 407.558 3.684 50 0 HHAALO COc1ccc2cc(C[NH2+]Cc3nonc3C)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000011910468 558296566 /nfs/dbraw/zinc/29/65/66/558296566.db2.gz YEEKQPSWQPFRCR-UHFFFAOYSA-N 1 2 424.888 3.693 50 0 HHAALO Cc1ncc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000011937009 558300916 /nfs/dbraw/zinc/30/09/16/558300916.db2.gz BVOPYJYZRJIJFT-QFIPXVFZSA-N 1 2 403.486 3.966 50 0 HHAALO Cc1ncc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000011937009 558300918 /nfs/dbraw/zinc/30/09/18/558300918.db2.gz BVOPYJYZRJIJFT-QFIPXVFZSA-N 1 2 403.486 3.966 50 0 HHAALO Cc1sc2nc(SCC[NH+]3CCOCC3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000019904319 558305595 /nfs/dbraw/zinc/30/55/95/558305595.db2.gz NVOBQULGOODQFQ-UHFFFAOYSA-N 1 2 415.584 3.797 50 0 HHAALO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019957608 558315268 /nfs/dbraw/zinc/31/52/68/558315268.db2.gz YDOZFNCUGAPIEB-UHFFFAOYSA-N 1 2 423.536 3.668 50 0 HHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(COc4cc(C)ccc4C)n3)CC2)cc1 ZINC000020028700 558323096 /nfs/dbraw/zinc/32/30/96/558323096.db2.gz RVNDZHIGDOPNDE-UHFFFAOYSA-N 1 2 418.541 3.803 50 0 HHAALO CCOC(=O)Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020149829 558340347 /nfs/dbraw/zinc/34/03/47/558340347.db2.gz GLLNONXMZWTJRK-UHFFFAOYSA-N 1 2 408.285 3.871 50 0 HHAALO CCS(=O)(=O)c1ncc(C[N@H+](C)CCc2ccccc2)n1CCc1ccccc1 ZINC000020451394 558365707 /nfs/dbraw/zinc/36/57/07/558365707.db2.gz BIONSTGLLSIXRC-UHFFFAOYSA-N 1 2 411.571 3.594 50 0 HHAALO CCS(=O)(=O)c1ncc(C[N@@H+](C)CCc2ccccc2)n1CCc1ccccc1 ZINC000020451394 558365708 /nfs/dbraw/zinc/36/57/08/558365708.db2.gz BIONSTGLLSIXRC-UHFFFAOYSA-N 1 2 411.571 3.594 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Cc4ccccc4)C3)n2)cc1 ZINC000012314402 558377873 /nfs/dbraw/zinc/37/78/73/558377873.db2.gz NUTPFWFBSJRZBF-HXUWFJFHSA-N 1 2 419.481 3.547 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Cc4ccccc4)C3)n2)cc1 ZINC000012314402 558377876 /nfs/dbraw/zinc/37/78/76/558377876.db2.gz NUTPFWFBSJRZBF-HXUWFJFHSA-N 1 2 419.481 3.547 50 0 HHAALO O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317241 558380402 /nfs/dbraw/zinc/38/04/02/558380402.db2.gz GCLQEYLVXUWEGL-GOSISDBHSA-N 1 2 400.954 3.655 50 0 HHAALO O=C(CCc1n[nH]c2c1CCCC2)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317241 558380405 /nfs/dbraw/zinc/38/04/05/558380405.db2.gz GCLQEYLVXUWEGL-GOSISDBHSA-N 1 2 400.954 3.655 50 0 HHAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012317825 558381197 /nfs/dbraw/zinc/38/11/97/558381197.db2.gz SPPQKWPMXVNGEA-UHFFFAOYSA-N 1 2 420.561 3.898 50 0 HHAALO C[C@@H]1CCCCN1c1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020518523 558383418 /nfs/dbraw/zinc/38/34/18/558383418.db2.gz MYYRJHSLLXIERB-OAHLLOKOSA-N 1 2 419.558 3.671 50 0 HHAALO C[C@@H]1CCCCN1c1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020518523 558383419 /nfs/dbraw/zinc/38/34/19/558383419.db2.gz MYYRJHSLLXIERB-OAHLLOKOSA-N 1 2 419.558 3.671 50 0 HHAALO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000012433485 558407279 /nfs/dbraw/zinc/40/72/79/558407279.db2.gz QOCPBTGGMCEXLH-NRFANRHFSA-N 1 2 400.486 3.567 50 0 HHAALO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000012433485 558407280 /nfs/dbraw/zinc/40/72/80/558407280.db2.gz QOCPBTGGMCEXLH-NRFANRHFSA-N 1 2 400.486 3.567 50 0 HHAALO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021324135 558435711 /nfs/dbraw/zinc/43/57/11/558435711.db2.gz MIZOPVDHBJRNHM-HNNXBMFYSA-N 1 2 409.456 3.632 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)CCCOc1ccc(C(C)=O)cc1)c1[nH+]ccn1C ZINC000012627349 558440252 /nfs/dbraw/zinc/44/02/52/558440252.db2.gz MBHWIVWPLYVDRH-HSZRJFAPSA-N 1 2 421.497 3.696 50 0 HHAALO O=C(c1ccc(OC(F)F)cc1OC(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021539986 558441167 /nfs/dbraw/zinc/44/11/67/558441167.db2.gz WEOSTYULMHJRCT-UHFFFAOYSA-N 1 2 412.383 3.847 50 0 HHAALO Cc1cc(C(=O)Cn2c(NCCO)[nH+]c3ccccc32)c(C)n1Cc1cccs1 ZINC000012630153 558441587 /nfs/dbraw/zinc/44/15/87/558441587.db2.gz JHBCQIHNOFJYTB-UHFFFAOYSA-N 1 2 408.527 3.852 50 0 HHAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)[nH+]c(C)n2)cc1 ZINC000021793940 558449231 /nfs/dbraw/zinc/44/92/31/558449231.db2.gz ZQCDKBAGNXYSPP-UHFFFAOYSA-N 1 2 405.477 3.939 50 0 HHAALO O=C(c1csc(-c2ccsc2)n1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012784099 558462908 /nfs/dbraw/zinc/46/29/08/558462908.db2.gz HAKXVORGZZTONK-UHFFFAOYSA-N 1 2 413.524 3.558 50 0 HHAALO O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022147211 558464740 /nfs/dbraw/zinc/46/47/40/558464740.db2.gz AJNYJOBUYVNTRQ-UHFFFAOYSA-N 1 2 413.521 3.826 50 0 HHAALO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000022242936 558471901 /nfs/dbraw/zinc/47/19/01/558471901.db2.gz BETXVIUZLZMLOJ-AREMUKBSSA-N 1 2 416.565 3.954 50 0 HHAALO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c2c1c(C)n[nH]c2=O ZINC000012945404 558487900 /nfs/dbraw/zinc/48/79/00/558487900.db2.gz QSBCFVOAVMVEAB-UHFFFAOYSA-N 1 2 409.273 3.510 50 0 HHAALO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c2c1c(C)n[nH]c2=O ZINC000012945404 558487902 /nfs/dbraw/zinc/48/79/02/558487902.db2.gz QSBCFVOAVMVEAB-UHFFFAOYSA-N 1 2 409.273 3.510 50 0 HHAALO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000013060496 558509661 /nfs/dbraw/zinc/50/96/61/558509661.db2.gz QCBFWICKYGSBSV-HXUWFJFHSA-N 1 2 410.905 3.604 50 0 HHAALO CCc1ccc(-c2noc(CN3CC[NH+](CCOc4ccc(OC)cc4)CC3)n2)cc1 ZINC000022779612 558509812 /nfs/dbraw/zinc/50/98/12/558509812.db2.gz FHKBXVMQDJMMJB-UHFFFAOYSA-N 1 2 422.529 3.504 50 0 HHAALO O=C(C[NH+]1CCN(Cc2nc3ccccc3s2)CC1)N(C1=CCCCC1)C1CC1 ZINC000022782417 558510377 /nfs/dbraw/zinc/51/03/77/558510377.db2.gz QQJUOMMPBONCNJ-UHFFFAOYSA-N 1 2 410.587 3.863 50 0 HHAALO OCC[C@H]1C[N@H+](Cc2nc3ccccc3s2)CCN1Cc1ccc(F)c(F)c1 ZINC000022919069 558522200 /nfs/dbraw/zinc/52/22/00/558522200.db2.gz ASAYGHNWFSTXTA-INIZCTEOSA-N 1 2 403.498 3.643 50 0 HHAALO OCC[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CCN1Cc1ccc(F)c(F)c1 ZINC000022919069 558522203 /nfs/dbraw/zinc/52/22/03/558522203.db2.gz ASAYGHNWFSTXTA-INIZCTEOSA-N 1 2 403.498 3.643 50 0 HHAALO O=c1[nH]c(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2ccc(Cl)cc21 ZINC000022933650 558525549 /nfs/dbraw/zinc/52/55/49/558525549.db2.gz UBTVJQUFDJQTJQ-UHFFFAOYSA-N 1 2 403.313 3.548 50 0 HHAALO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccc(F)c1 ZINC000023055294 558532366 /nfs/dbraw/zinc/53/23/66/558532366.db2.gz XXFVXXWQPMFPHA-QGZVFWFLSA-N 1 2 409.383 3.564 50 0 HHAALO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1cccc(F)c1 ZINC000023055294 558532370 /nfs/dbraw/zinc/53/23/70/558532370.db2.gz XXFVXXWQPMFPHA-QGZVFWFLSA-N 1 2 409.383 3.564 50 0 HHAALO O=C1c2ccccc2[C@@H](NCCC[NH+]2CCOCC2)N1[C@H]1CCCc2ccccc21 ZINC000023504887 558560276 /nfs/dbraw/zinc/56/02/76/558560276.db2.gz ZCEQVZRJMTYIAP-ZEQRLZLVSA-N 1 2 405.542 3.531 50 0 HHAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023804874 558576417 /nfs/dbraw/zinc/57/64/17/558576417.db2.gz QJQJYLDSXGQRIR-RUZDIDTESA-N 1 2 401.510 3.689 50 0 HHAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023804874 558576419 /nfs/dbraw/zinc/57/64/19/558576419.db2.gz QJQJYLDSXGQRIR-RUZDIDTESA-N 1 2 401.510 3.689 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(COc2ccccc2)o1 ZINC000023864920 558578398 /nfs/dbraw/zinc/57/83/98/558578398.db2.gz VCQSOGSGXSMTSS-UHFFFAOYSA-N 1 2 406.482 3.621 50 0 HHAALO O=C(CSc1nc2ccccc2s1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023873359 558579333 /nfs/dbraw/zinc/57/93/33/558579333.db2.gz NWJPDSABFHCSQK-UHFFFAOYSA-N 1 2 413.568 3.537 50 0 HHAALO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000023908556 558581076 /nfs/dbraw/zinc/58/10/76/558581076.db2.gz VMCGRFJVURCEMM-MRXNPFEDSA-N 1 2 419.506 3.923 50 0 HHAALO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000023908556 558581077 /nfs/dbraw/zinc/58/10/77/558581077.db2.gz VMCGRFJVURCEMM-MRXNPFEDSA-N 1 2 419.506 3.923 50 0 HHAALO O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1-c1ccc(F)c(Cl)c1 ZINC000024082856 558588062 /nfs/dbraw/zinc/58/80/62/558588062.db2.gz XYMVINPCZMNLCX-UHFFFAOYSA-N 1 2 419.909 3.603 50 0 HHAALO Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000024496628 558599263 /nfs/dbraw/zinc/59/92/63/558599263.db2.gz OKICSCACRNOFEJ-UHFFFAOYSA-N 1 2 409.555 3.720 50 0 HHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000014181824 558628500 /nfs/dbraw/zinc/62/85/00/558628500.db2.gz IPFJCHKCLLUARO-QGZVFWFLSA-N 1 2 401.557 3.969 50 0 HHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000014181824 558628504 /nfs/dbraw/zinc/62/85/04/558628504.db2.gz IPFJCHKCLLUARO-QGZVFWFLSA-N 1 2 401.557 3.969 50 0 HHAALO COc1ccc([C@H]([NH2+][C@@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 ZINC000014196741 558633584 /nfs/dbraw/zinc/63/35/84/558633584.db2.gz GQJVAJLZGKXFDK-JWQCQUIFSA-N 1 2 416.521 3.974 50 0 HHAALO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231833 558640108 /nfs/dbraw/zinc/64/01/08/558640108.db2.gz WKTZBOCWWWNZGW-XOBRGWDASA-N 1 2 422.367 3.975 50 0 HHAALO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231833 558640109 /nfs/dbraw/zinc/64/01/09/558640109.db2.gz WKTZBOCWWWNZGW-XOBRGWDASA-N 1 2 422.367 3.975 50 0 HHAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1Br ZINC000014238177 558642375 /nfs/dbraw/zinc/64/23/75/558642375.db2.gz VPWGDFSLSKGRSO-KRWDZBQOSA-N 1 2 422.319 3.532 50 0 HHAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1Br ZINC000014238177 558642378 /nfs/dbraw/zinc/64/23/78/558642378.db2.gz VPWGDFSLSKGRSO-KRWDZBQOSA-N 1 2 422.319 3.532 50 0 HHAALO CC[C@@H]1C[N@H+](CCNC(=O)c2c(F)cccc2Cl)Cc2cc(OC)ccc2O1 ZINC000014994445 558695721 /nfs/dbraw/zinc/69/57/21/558695721.db2.gz ZJLWOFPOEWNDFG-OAHLLOKOSA-N 1 2 406.885 3.891 50 0 HHAALO CC[C@@H]1C[N@@H+](CCNC(=O)c2c(F)cccc2Cl)Cc2cc(OC)ccc2O1 ZINC000014994445 558695723 /nfs/dbraw/zinc/69/57/23/558695723.db2.gz ZJLWOFPOEWNDFG-OAHLLOKOSA-N 1 2 406.885 3.891 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](CCC(=O)NCc3ccccc3Cl)CC2)c(F)c1 ZINC000028890959 558706635 /nfs/dbraw/zinc/70/66/35/558706635.db2.gz KPLNWUIRNFDRGN-UHFFFAOYSA-N 1 2 417.912 3.510 50 0 HHAALO COC(=O)c1c(C[N@@H+]2CCCC[C@H]2C(N)=O)nc2ccccc2c1-c1ccccc1 ZINC000015479540 558741024 /nfs/dbraw/zinc/74/10/24/558741024.db2.gz YNZIZAOKGBRPGI-FQEVSTJZSA-N 1 2 403.482 3.528 50 0 HHAALO COC(=O)c1c(C[N@H+]2CCCC[C@H]2C(N)=O)nc2ccccc2c1-c1ccccc1 ZINC000015479540 558741026 /nfs/dbraw/zinc/74/10/26/558741026.db2.gz YNZIZAOKGBRPGI-FQEVSTJZSA-N 1 2 403.482 3.528 50 0 HHAALO Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)cc2)n1 ZINC000016103222 558772007 /nfs/dbraw/zinc/77/20/07/558772007.db2.gz ACOOLPOJCIIEFL-UHFFFAOYSA-N 1 2 418.545 3.673 50 0 HHAALO OCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000019222362 558852182 /nfs/dbraw/zinc/85/21/82/558852182.db2.gz MYTKPIAPOTZWIR-QFIPXVFZSA-N 1 2 410.949 3.799 50 0 HHAALO OCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000019222362 558852184 /nfs/dbraw/zinc/85/21/84/558852184.db2.gz MYTKPIAPOTZWIR-QFIPXVFZSA-N 1 2 410.949 3.799 50 0 HHAALO CCOC(=O)c1cccc(NC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)c1 ZINC000033106179 558873892 /nfs/dbraw/zinc/87/38/92/558873892.db2.gz MWINUNXMADUKFN-UHFFFAOYSA-N 1 2 418.497 3.904 50 0 HHAALO CC[N@H+](CCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O)c1cccc(C)c1 ZINC000004669423 558877209 /nfs/dbraw/zinc/87/72/09/558877209.db2.gz LEQBJTCRAXITRL-UHFFFAOYSA-N 1 2 420.557 3.663 50 0 HHAALO CC[N@@H+](CCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O)c1cccc(C)c1 ZINC000004669423 558877210 /nfs/dbraw/zinc/87/72/10/558877210.db2.gz LEQBJTCRAXITRL-UHFFFAOYSA-N 1 2 420.557 3.663 50 0 HHAALO Cn1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000071422162 558897920 /nfs/dbraw/zinc/89/79/20/558897920.db2.gz XRTQTIUFCDBMOB-OAQYLSRUSA-N 1 2 402.498 3.621 50 0 HHAALO Cn1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000071422162 558897922 /nfs/dbraw/zinc/89/79/22/558897922.db2.gz XRTQTIUFCDBMOB-OAQYLSRUSA-N 1 2 402.498 3.621 50 0 HHAALO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@@H](CO)c1cccc(F)c1 ZINC000058297172 558917372 /nfs/dbraw/zinc/91/73/72/558917372.db2.gz BZZAOVYCCRKIDM-SIKLNZKXSA-N 1 2 416.493 3.897 50 0 HHAALO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@@H](CO)c1cccc(F)c1 ZINC000058297172 558917375 /nfs/dbraw/zinc/91/73/75/558917375.db2.gz BZZAOVYCCRKIDM-SIKLNZKXSA-N 1 2 416.493 3.897 50 0 HHAALO CCc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)[nH+]2)CC1 ZINC000065363994 558975175 /nfs/dbraw/zinc/97/51/75/558975175.db2.gz ZUTCNKLDGRULEA-UHFFFAOYSA-N 1 2 419.533 3.504 50 0 HHAALO CCOc1ccccc1N1CC[NH+](Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000067519072 558987165 /nfs/dbraw/zinc/98/71/65/558987165.db2.gz VQVRHWNHAUFSEP-UHFFFAOYSA-N 1 2 421.335 3.884 50 0 HHAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNc2ncnc3c2CCC3)CC1 ZINC000067833484 558993541 /nfs/dbraw/zinc/99/35/41/558993541.db2.gz KERVMCGRHALJKK-UHFFFAOYSA-N 1 2 400.530 3.607 50 0 HHAALO CCc1nc(C[NH+]2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)cs1 ZINC000077344119 559002023 /nfs/dbraw/zinc/00/20/23/559002023.db2.gz DRCNLKRQOPDUEB-UHFFFAOYSA-N 1 2 401.532 3.571 50 0 HHAALO CC[N@H+](CCCNS(=O)(=O)c1cc(-c2cc(C)no2)cs1)c1ccccc1 ZINC000033290260 559047185 /nfs/dbraw/zinc/04/71/85/559047185.db2.gz XXDQDEONWITIMF-UHFFFAOYSA-N 1 2 405.545 3.906 50 0 HHAALO CC[N@@H+](CCCNS(=O)(=O)c1cc(-c2cc(C)no2)cs1)c1ccccc1 ZINC000033290260 559047187 /nfs/dbraw/zinc/04/71/87/559047187.db2.gz XXDQDEONWITIMF-UHFFFAOYSA-N 1 2 405.545 3.906 50 0 HHAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2[nH]c3ccc(Cl)cc3c2C)C1 ZINC000095518642 559084823 /nfs/dbraw/zinc/08/48/23/559084823.db2.gz AKRVFIWXLHMBBF-HNNXBMFYSA-N 1 2 400.910 3.992 50 0 HHAALO CC[C@@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317103 559109812 /nfs/dbraw/zinc/10/98/12/559109812.db2.gz TZAZHWXVCGEGBM-MRXNPFEDSA-N 1 2 413.541 3.832 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000023820144 559181092 /nfs/dbraw/zinc/18/10/92/559181092.db2.gz YWRHFCJIUKKQAJ-CYBMUJFWSA-N 1 2 409.328 3.694 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000023820144 559181093 /nfs/dbraw/zinc/18/10/93/559181093.db2.gz YWRHFCJIUKKQAJ-CYBMUJFWSA-N 1 2 409.328 3.694 50 0 HHAALO C[C@H](Oc1ccccc1)C(=O)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695717 559188952 /nfs/dbraw/zinc/18/89/52/559188952.db2.gz XRTXSUZYWLZSLT-KRWDZBQOSA-N 1 2 410.905 3.642 50 0 HHAALO CSc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000024300211 559286406 /nfs/dbraw/zinc/28/64/06/559286406.db2.gz IRUPTSVLGVNWCN-UHFFFAOYSA-N 1 2 402.947 3.955 50 0 HHAALO O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000002655661 560587327 /nfs/dbraw/zinc/58/73/27/560587327.db2.gz YNOUQZZWJSYAOA-UHFFFAOYSA-N 1 2 415.522 3.958 50 0 HHAALO Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)[nH+]c3)cc2c1 ZINC000046651811 560735740 /nfs/dbraw/zinc/73/57/40/560735740.db2.gz CRWFVNVLEWPVIU-CALCHBBNSA-N 1 2 404.514 3.790 50 0 HHAALO COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000013095755 560793761 /nfs/dbraw/zinc/79/37/61/560793761.db2.gz BMRWZSSLYUPMON-ZWIJEDICSA-N 1 2 407.470 3.789 50 0 HHAALO C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3[nH+]cnc4c3cnn4-c3ccccc3)cc21 ZINC000103320605 560840800 /nfs/dbraw/zinc/84/08/00/560840800.db2.gz RCYRDFHCKHLBFO-ZDUSSCGKSA-N 1 2 415.478 3.846 50 0 HHAALO CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)c1ccc(Cl)cc1 ZINC000104066103 560847865 /nfs/dbraw/zinc/84/78/65/560847865.db2.gz QXSPVKVDGTZAMA-WOZUAGRISA-N 1 2 420.896 3.944 50 0 HHAALO CCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)c1ccc(Cl)cc1 ZINC000104066103 560847867 /nfs/dbraw/zinc/84/78/67/560847867.db2.gz QXSPVKVDGTZAMA-WOZUAGRISA-N 1 2 420.896 3.944 50 0 HHAALO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(c3cccc[nH+]3)C[C@@H]12 ZINC000025184356 560891309 /nfs/dbraw/zinc/89/13/09/560891309.db2.gz QPWJIZCPRNXAPB-ZEQKJWHPSA-N 1 2 423.520 3.742 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000048249352 568433292 /nfs/dbraw/zinc/43/32/92/568433292.db2.gz ZFRBADOOUXQWJQ-OAQYLSRUSA-N 1 2 422.529 3.510 50 0 HHAALO CCOC(=O)c1oc2ccccc2c1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000049581066 568452836 /nfs/dbraw/zinc/45/28/36/568452836.db2.gz SZRIMYMXAQJGKV-UHFFFAOYSA-N 1 2 414.433 3.698 50 0 HHAALO CCOC(=O)c1oc2ccccc2c1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000049581066 568452838 /nfs/dbraw/zinc/45/28/38/568452838.db2.gz SZRIMYMXAQJGKV-UHFFFAOYSA-N 1 2 414.433 3.698 50 0 HHAALO CC(C)n1nccc1NC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000007777324 568484485 /nfs/dbraw/zinc/48/44/85/568484485.db2.gz TYMBJPYWQIZGGL-AWEZNQCLSA-N 1 2 407.503 3.712 50 0 HHAALO O=c1c2ccccc2nc(SC/C=C/c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000022358384 568484875 /nfs/dbraw/zinc/48/48/75/568484875.db2.gz LDLNHOWLMHDSJI-UXBLZVDNSA-N 1 2 421.566 3.924 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C3CCN(c4[nH]c5ccccc5[nH+]4)CC3)C[C@H]2C)c1 ZINC000021158644 568674097 /nfs/dbraw/zinc/67/40/97/568674097.db2.gz WRPNXVBYTQAXEW-LJQANCHMSA-N 1 2 417.557 3.825 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000229356086 568714013 /nfs/dbraw/zinc/71/40/13/568714013.db2.gz LHUXTFSETGOBKJ-GDBMZVCRSA-N 1 2 420.859 3.677 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000229356086 568714015 /nfs/dbraw/zinc/71/40/15/568714015.db2.gz LHUXTFSETGOBKJ-GDBMZVCRSA-N 1 2 420.859 3.677 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000096281105 568718550 /nfs/dbraw/zinc/71/85/50/568718550.db2.gz QCGBJVUSGHBKEW-UHFFFAOYSA-N 1 2 411.855 3.797 50 0 HHAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)N(C)C)CC2)c1 ZINC000096317501 568726833 /nfs/dbraw/zinc/72/68/33/568726833.db2.gz WNPPJLXQQYEWCH-UHFFFAOYSA-N 1 2 409.578 3.686 50 0 HHAALO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3F)[NH+](C)C)no2)cc1 ZINC000238900238 568727175 /nfs/dbraw/zinc/72/71/75/568727175.db2.gz IDLFYXFOVJRYEZ-IBGZPJMESA-N 1 2 401.413 3.661 50 0 HHAALO COc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3cccs3)CC2)c1 ZINC000096318396 568727264 /nfs/dbraw/zinc/72/72/64/568727264.db2.gz QJKYWOYCFFPVOO-UHFFFAOYSA-N 1 2 422.554 3.717 50 0 HHAALO O=C(/C=C\c1ccc(Br)cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000096401858 568750370 /nfs/dbraw/zinc/75/03/70/568750370.db2.gz HFZFGSALWUACOC-TWGQIWQCSA-N 1 2 401.304 3.933 50 0 HHAALO Cc1cc(C)cc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)c1 ZINC000000929949 568750950 /nfs/dbraw/zinc/75/09/50/568750950.db2.gz KRCJHXONLBSVJW-UHFFFAOYSA-N 1 2 420.542 3.824 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)no2)cc1 ZINC000021724552 568751196 /nfs/dbraw/zinc/75/11/96/568751196.db2.gz AGLPZYVTUYLPQA-NRFANRHFSA-N 1 2 404.514 3.616 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)no2)cc1 ZINC000021724552 568751197 /nfs/dbraw/zinc/75/11/97/568751197.db2.gz AGLPZYVTUYLPQA-NRFANRHFSA-N 1 2 404.514 3.616 50 0 HHAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)cc(N(C)C)[nH+]1 ZINC000021794796 568753348 /nfs/dbraw/zinc/75/33/48/568753348.db2.gz AYCWXCUYSHMUKZ-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO COc1ccc([C@@H](O)C[N@@H+]2CCc3c(nc(SCc4ccccc4)n3C)C2)cc1 ZINC000000994922 568760884 /nfs/dbraw/zinc/76/08/84/568760884.db2.gz NBKBDSHEYDMPBO-QFIPXVFZSA-N 1 2 409.555 3.813 50 0 HHAALO COc1ccc([C@@H](O)C[N@H+]2CCc3c(nc(SCc4ccccc4)n3C)C2)cc1 ZINC000000994922 568760885 /nfs/dbraw/zinc/76/08/85/568760885.db2.gz NBKBDSHEYDMPBO-QFIPXVFZSA-N 1 2 409.555 3.813 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000028875572 568812173 /nfs/dbraw/zinc/81/21/73/568812173.db2.gz YBMXFEOBCNATAO-KRWDZBQOSA-N 1 2 417.296 3.562 50 0 HHAALO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)c1 ZINC000029017409 568814991 /nfs/dbraw/zinc/81/49/91/568814991.db2.gz YVFRMYMVSYCVNB-KRWDZBQOSA-N 1 2 409.511 3.990 50 0 HHAALO Cc1cc(OCC[NH+]2CCN(S(=O)(=O)c3ccccc3F)CC2)ccc1C(C)C ZINC000082066220 568819295 /nfs/dbraw/zinc/81/92/95/568819295.db2.gz NCUKTMRVMRCMLI-UHFFFAOYSA-N 1 2 420.550 3.643 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000057315227 568826530 /nfs/dbraw/zinc/82/65/30/568826530.db2.gz JPUQGFIUYDJKIC-INIZCTEOSA-N 1 2 415.921 3.569 50 0 HHAALO COc1ccc2cc([C@]3(C)NC(=O)N(Cc4cn5cc(C)ccc5[nH+]4)C3=O)ccc2c1 ZINC000012532460 568844308 /nfs/dbraw/zinc/84/43/08/568844308.db2.gz ZSHOOIDUZJNQIT-DEOSSOPVSA-N 1 2 414.465 3.772 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1[nH+]ccn1C ZINC000012535839 568845709 /nfs/dbraw/zinc/84/57/09/568845709.db2.gz POSJLMPBDCEERV-LJQANCHMSA-N 1 2 407.499 3.708 50 0 HHAALO COC(=O)c1sc2[nH]c(C[NH+]3CCC(Cc4ccccc4)CC3)nc(=O)c2c1C ZINC000003284059 568851897 /nfs/dbraw/zinc/85/18/97/568851897.db2.gz XYUWOKMNJYEHJE-UHFFFAOYSA-N 1 2 411.527 3.534 50 0 HHAALO Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000012551122 568853060 /nfs/dbraw/zinc/85/30/60/568853060.db2.gz CQZGJCLYTVWPLQ-CQSZACIVSA-N 1 2 420.332 3.983 50 0 HHAALO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000003671961 568867492 /nfs/dbraw/zinc/86/74/92/568867492.db2.gz JELSZXWKDZATSF-KRWDZBQOSA-N 1 2 421.280 3.592 50 0 HHAALO Cc1c(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)sc2nc(C)nc(C)c12 ZINC000030517721 568868670 /nfs/dbraw/zinc/86/86/70/568868670.db2.gz CCWHARALRGLFRI-UHFFFAOYSA-N 1 2 424.574 3.801 50 0 HHAALO O=C1c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1CCC[NH+]1CCOCC1 ZINC000012608927 568871543 /nfs/dbraw/zinc/87/15/43/568871543.db2.gz DMIXBUNVFUBOBE-FQEVSTJZSA-N 1 2 419.447 3.994 50 0 HHAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Br)c2)cc1OC ZINC000003420538 568899796 /nfs/dbraw/zinc/89/97/96/568899796.db2.gz OAMYNGQKFHNPMF-UHFFFAOYSA-N 1 2 407.308 3.927 50 0 HHAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Br)c2)cc1OC ZINC000003420538 568899795 /nfs/dbraw/zinc/89/97/95/568899795.db2.gz OAMYNGQKFHNPMF-UHFFFAOYSA-N 1 2 407.308 3.927 50 0 HHAALO CC1CCN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000001346677 568915170 /nfs/dbraw/zinc/91/51/70/568915170.db2.gz WNBCCPRWNTWWJE-UHFFFAOYSA-N 1 2 401.923 3.820 50 0 HHAALO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCC1)CCC2 ZINC000004155139 568947104 /nfs/dbraw/zinc/94/71/04/568947104.db2.gz HBKYGWMJYUXSMJ-UHFFFAOYSA-N 1 2 413.543 3.922 50 0 HHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCO2 ZINC000008092412 568973431 /nfs/dbraw/zinc/97/34/31/568973431.db2.gz CVVYVMISSDNFSL-UHFFFAOYSA-N 1 2 408.376 3.707 50 0 HHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)OCO2 ZINC000008092412 568973432 /nfs/dbraw/zinc/97/34/32/568973432.db2.gz CVVYVMISSDNFSL-UHFFFAOYSA-N 1 2 408.376 3.707 50 0 HHAALO COc1cc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)c(OC)cc1Br ZINC000008119551 568974589 /nfs/dbraw/zinc/97/45/89/568974589.db2.gz CWDFYKQORQNKML-UHFFFAOYSA-N 1 2 411.271 3.676 50 0 HHAALO COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)c(OC)cc1Br ZINC000008119551 568974591 /nfs/dbraw/zinc/97/45/91/568974591.db2.gz CWDFYKQORQNKML-UHFFFAOYSA-N 1 2 411.271 3.676 50 0 HHAALO C[C@@H]1CCCCN1C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000008345927 568994715 /nfs/dbraw/zinc/99/47/15/568994715.db2.gz FKHWMBUWEBKXDV-GOSISDBHSA-N 1 2 413.591 3.746 50 0 HHAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000015779182 569001677 /nfs/dbraw/zinc/00/16/77/569001677.db2.gz WNPDAVFGCABYEG-UHFFFAOYSA-N 1 2 404.470 3.906 50 0 HHAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1 ZINC000015779182 569001678 /nfs/dbraw/zinc/00/16/78/569001678.db2.gz WNPDAVFGCABYEG-UHFFFAOYSA-N 1 2 404.470 3.906 50 0 HHAALO COc1ccc(CCC2CC[NH+](Cn3cc(Br)ccc3=O)CC2)cc1 ZINC000012924559 569023585 /nfs/dbraw/zinc/02/35/85/569023585.db2.gz JAYJWSOUSGQWTL-UHFFFAOYSA-N 1 2 405.336 3.922 50 0 HHAALO CN1c2ccccc2N(C2CC[NH+](Cc3c(F)cccc3Cl)CC2)S1(=O)=O ZINC000575414203 569025138 /nfs/dbraw/zinc/02/51/38/569025138.db2.gz PGOFYUMLPZGRJV-UHFFFAOYSA-N 1 2 409.914 3.645 50 0 HHAALO Cn1c2ccccc2c(C(=O)C[NH+]2CCN(c3ncccn3)CC2)c1-c1ccccc1 ZINC000035388464 569034576 /nfs/dbraw/zinc/03/45/76/569034576.db2.gz QJIHVSKHCPBJAR-UHFFFAOYSA-N 1 2 411.509 3.640 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1ccc(Cl)cc1 ZINC000035404254 569035715 /nfs/dbraw/zinc/03/57/15/569035715.db2.gz CZXNKPSCTBBAHA-UHFFFAOYSA-N 1 2 406.917 3.931 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1ccc(Cl)cc1 ZINC000035404254 569035716 /nfs/dbraw/zinc/03/57/16/569035716.db2.gz CZXNKPSCTBBAHA-UHFFFAOYSA-N 1 2 406.917 3.931 50 0 HHAALO COc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000000869994 569060259 /nfs/dbraw/zinc/06/02/59/569060259.db2.gz IJPQGRUSJZIPCB-GOSISDBHSA-N 1 2 414.502 3.714 50 0 biogenic HHAALO COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000000869994 569060260 /nfs/dbraw/zinc/06/02/60/569060260.db2.gz IJPQGRUSJZIPCB-GOSISDBHSA-N 1 2 414.502 3.714 50 0 biogenic HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000006590411 569068452 /nfs/dbraw/zinc/06/84/52/569068452.db2.gz NEOVJNWGMARCRR-SFHVURJKSA-N 1 2 406.490 3.552 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000006590411 569068453 /nfs/dbraw/zinc/06/84/53/569068453.db2.gz NEOVJNWGMARCRR-SFHVURJKSA-N 1 2 406.490 3.552 50 0 HHAALO CC[C@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026478 569079549 /nfs/dbraw/zinc/07/95/49/569079549.db2.gz UHDUSOSFVJSKTI-PGRDOPGGSA-N 1 2 423.532 3.600 50 0 HHAALO CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648898 569081307 /nfs/dbraw/zinc/08/13/07/569081307.db2.gz XOADVLRRJDOXHV-QGZVFWFLSA-N 1 2 422.554 3.980 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000006652548 569081825 /nfs/dbraw/zinc/08/18/25/569081825.db2.gz SHQHGIHWRPTCQM-INIZCTEOSA-N 1 2 402.438 3.804 50 0 HHAALO Cc1ccc(C[N@H+](Cc2nc(C(=O)N3CCOCC3)co2)Cc2ccccc2)cc1 ZINC000036072222 569086423 /nfs/dbraw/zinc/08/64/23/569086423.db2.gz SZSGCHLHLWSSNH-UHFFFAOYSA-N 1 2 405.498 3.658 50 0 HHAALO Cc1ccc(C[N@@H+](Cc2nc(C(=O)N3CCOCC3)co2)Cc2ccccc2)cc1 ZINC000036072222 569086424 /nfs/dbraw/zinc/08/64/24/569086424.db2.gz SZSGCHLHLWSSNH-UHFFFAOYSA-N 1 2 405.498 3.658 50 0 HHAALO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1 ZINC000036310394 569131597 /nfs/dbraw/zinc/13/15/97/569131597.db2.gz MIXHDENQEJRRDV-JOCHJYFZSA-N 1 2 424.545 3.613 50 0 HHAALO COc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036311528 569132426 /nfs/dbraw/zinc/13/24/26/569132426.db2.gz HHJPSYHMWZVKOW-QFIPXVFZSA-N 1 2 413.562 3.527 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccc(OC)cc3)C2)nc[nH+]1 ZINC000065245115 569204821 /nfs/dbraw/zinc/20/48/21/569204821.db2.gz WKJBLBBUVNVZGU-ROUUACIJSA-N 1 2 411.550 3.791 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccc(OC)cc3)C2)[nH+]cn1 ZINC000065245115 569204823 /nfs/dbraw/zinc/20/48/23/569204823.db2.gz WKJBLBBUVNVZGU-ROUUACIJSA-N 1 2 411.550 3.791 50 0 HHAALO Cc1noc(C)c1CC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065260005 569210838 /nfs/dbraw/zinc/21/08/38/569210838.db2.gz UHOGMYHMKOHCTD-DEOSSOPVSA-N 1 2 421.545 3.883 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700429 569222805 /nfs/dbraw/zinc/22/28/05/569222805.db2.gz TXRCUMLICKJTJI-HSZRJFAPSA-N 1 2 416.587 3.942 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700429 569222806 /nfs/dbraw/zinc/22/28/06/569222806.db2.gz TXRCUMLICKJTJI-HSZRJFAPSA-N 1 2 416.587 3.942 50 0 HHAALO Cc1csc(Sc2ccc(NC(=O)NCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000065610470 569237608 /nfs/dbraw/zinc/23/76/08/569237608.db2.gz CQPPDXVHKSJUOX-GASCZTMLSA-N 1 2 406.577 3.833 50 0 HHAALO Cc1csc(Sc2ccc(NC(=O)NCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000065610470 569237609 /nfs/dbraw/zinc/23/76/09/569237609.db2.gz CQPPDXVHKSJUOX-GASCZTMLSA-N 1 2 406.577 3.833 50 0 HHAALO Cc1ccsc1-c1nnc(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000170605608 569244275 /nfs/dbraw/zinc/24/42/75/569244275.db2.gz RLAGRXPJJYNXPY-UHFFFAOYSA-N 1 2 410.565 3.751 50 0 HHAALO Cc1ccc(-c2noc(CCC(=O)N[C@@H](Cc3[nH]cc[nH+]3)c3ccccc3)n2)cc1F ZINC000089644087 569261572 /nfs/dbraw/zinc/26/15/72/569261572.db2.gz GHBIGFLRXUECCN-IBGZPJMESA-N 1 2 419.460 3.940 50 0 HHAALO CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCC[NH+]3CCOCC3)cc21 ZINC000016846301 569265152 /nfs/dbraw/zinc/26/51/52/569265152.db2.gz GENYXHADOVESHH-UHFFFAOYSA-N 1 2 419.525 3.671 50 0 HHAALO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000027113077 569279937 /nfs/dbraw/zinc/27/99/37/569279937.db2.gz IXHRSUYQYJOAHO-VQIMIIECSA-N 1 2 418.632 3.684 50 0 HHAALO CC(C)CNC(=O)c1c(N)n(-c2ccc([NH+](C)C)cc2)c2nc3ccccc3nc12 ZINC000002231865 569319955 /nfs/dbraw/zinc/31/99/55/569319955.db2.gz JWNHPFDQIOCJON-UHFFFAOYSA-N 1 2 402.502 3.608 50 0 HHAALO COc1cc(OC)cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000003551010 569323070 /nfs/dbraw/zinc/32/30/70/569323070.db2.gz MKTYGZFIGCQMQY-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1cc(OC)cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000003551010 569323072 /nfs/dbraw/zinc/32/30/72/569323072.db2.gz MKTYGZFIGCQMQY-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1ccc2c(c1)c(C(=O)C[N@@H+]1CCN(c3cccc(OC)c3)[C@@H](C)C1)c(C)n2C ZINC000002272298 569327407 /nfs/dbraw/zinc/32/74/07/569327407.db2.gz OXTIBBULRJZCMA-KRWDZBQOSA-N 1 2 421.541 3.897 50 0 HHAALO COc1ccc2c(c1)c(C(=O)C[N@H+]1CCN(c3cccc(OC)c3)[C@@H](C)C1)c(C)n2C ZINC000002272298 569327408 /nfs/dbraw/zinc/32/74/08/569327408.db2.gz OXTIBBULRJZCMA-KRWDZBQOSA-N 1 2 421.541 3.897 50 0 HHAALO Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CC[NH+](C)CC2)CC[C@H](C)C3)c1 ZINC000055196063 569393282 /nfs/dbraw/zinc/39/32/82/569393282.db2.gz UIVUNPCCCJCGRQ-INIZCTEOSA-N 1 2 411.571 3.821 50 0 HHAALO CCO[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C12CCCCC2 ZINC000078879029 569421351 /nfs/dbraw/zinc/42/13/51/569421351.db2.gz VVJBKKMNLJUZHK-NHCUHLMSSA-N 1 2 424.545 3.770 50 0 HHAALO Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c[nH]1 ZINC000078965324 569422211 /nfs/dbraw/zinc/42/22/11/569422211.db2.gz BDDMTCBWIJAXKU-UHFFFAOYSA-N 1 2 411.502 3.509 50 0 HHAALO CCC(=O)N1CCC[C@@H](C(=O)OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000079024091 569424584 /nfs/dbraw/zinc/42/45/84/569424584.db2.gz PIMXTVOGZUUCPU-OAQYLSRUSA-N 1 2 406.526 3.652 50 0 HHAALO COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](Cn2c[nH+]c3cc(C)c(C)cc32)C2CC2)c1C ZINC000079045759 569425120 /nfs/dbraw/zinc/42/51/20/569425120.db2.gz XSSUUNLQVOFEOV-SFHVURJKSA-N 1 2 408.502 3.593 50 0 HHAALO Cc1cc(C)nc(SCc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)n1 ZINC000079482511 569431862 /nfs/dbraw/zinc/43/18/62/569431862.db2.gz RPLFWJANSGKIAX-UHFFFAOYSA-N 1 2 422.554 3.937 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1cc(C)ccc1OC)c1[nH+]ccn1C ZINC000040071244 571151967 /nfs/dbraw/zinc/15/19/67/571151967.db2.gz OQLYEOPXHKVSQJ-IIBYNOLFSA-N 1 2 408.502 3.896 50 0 HHAALO O=C(COc1ccc2cc(Br)ccc2c1)NCCc1cn2ccccc2[nH+]1 ZINC000040116334 571173938 /nfs/dbraw/zinc/17/39/38/571173938.db2.gz BKWJRWXEFYYMJL-UHFFFAOYSA-N 1 2 424.298 3.988 50 0 HHAALO CN(C(=O)C1CC1)c1ccccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000040144986 571195023 /nfs/dbraw/zinc/19/50/23/571195023.db2.gz AYMAYLBXWIESQL-UHFFFAOYSA-N 1 2 411.933 3.671 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009318106 571247677 /nfs/dbraw/zinc/24/76/77/571247677.db2.gz ZWENXHJKUWVJNI-ODAXIHTASA-N 1 2 424.456 3.674 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009318106 571247678 /nfs/dbraw/zinc/24/76/78/571247678.db2.gz ZWENXHJKUWVJNI-ODAXIHTASA-N 1 2 424.456 3.674 50 0 HHAALO O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000070637983 571270659 /nfs/dbraw/zinc/27/06/59/571270659.db2.gz NKCULXCVRHQCBP-UHFFFAOYSA-N 1 2 416.407 3.536 50 0 HHAALO COCCC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC2 ZINC000019837469 963375356 /nfs/dbraw/zinc/37/53/56/963375356.db2.gz DDWDQVSTPFFROS-UHFFFAOYSA-N 1 2 418.921 3.891 50 0 HHAALO COCCC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC2 ZINC000019837469 963375364 /nfs/dbraw/zinc/37/53/64/963375364.db2.gz DDWDQVSTPFFROS-UHFFFAOYSA-N 1 2 418.921 3.891 50 0 HHAALO Cc1nc(/C=C\C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC000098006520 969185278 /nfs/dbraw/zinc/18/52/78/969185278.db2.gz DLIBSOSLUWOQPX-DAXSKMNVSA-N 1 2 411.449 3.708 50 0 HHAALO COc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)CC2)c1 ZINC000002373839 132253650 /nfs/dbraw/zinc/25/36/50/132253650.db2.gz LHSSZOZRLSTUNF-UHFFFAOYSA-N 1 2 420.904 3.804 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000002374324 132253696 /nfs/dbraw/zinc/25/36/96/132253696.db2.gz KTQXDILIKJHZDS-UHFFFAOYSA-N 1 2 414.513 3.768 50 0 HHAALO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)C1 ZINC000004659355 132280983 /nfs/dbraw/zinc/28/09/83/132280983.db2.gz JCKUTDZMKPYQEC-GOSISDBHSA-N 1 2 406.534 3.517 50 0 HHAALO Clc1ccccc1Cn1ncc2c1nc[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000006673260 132313008 /nfs/dbraw/zinc/31/30/08/132313008.db2.gz BNOATZKJNDWSSW-UHFFFAOYSA-N 1 2 404.905 3.855 50 0 HHAALO CC[N@H+](CCCNC(=O)CCC(=O)N1CCOc2ccc(C)cc21)c1cccc(C)c1 ZINC000006780597 132315786 /nfs/dbraw/zinc/31/57/86/132315786.db2.gz YTTNVFYLPFUYQU-UHFFFAOYSA-N 1 2 423.557 3.842 50 0 HHAALO CC[N@@H+](CCCNC(=O)CCC(=O)N1CCOc2ccc(C)cc21)c1cccc(C)c1 ZINC000006780597 132315788 /nfs/dbraw/zinc/31/57/88/132315788.db2.gz YTTNVFYLPFUYQU-UHFFFAOYSA-N 1 2 423.557 3.842 50 0 HHAALO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000012608935 132365223 /nfs/dbraw/zinc/36/52/23/132365223.db2.gz JYIKGULTXTZPHW-CQSZACIVSA-N 1 2 411.399 3.874 50 0 HHAALO CCCc1cnc(N2CC[NH+](CC(=O)N(c3ccccc3)C3CCCCC3)CC2)nc1 ZINC000035600995 132802770 /nfs/dbraw/zinc/80/27/70/132802770.db2.gz HDIHDJWQPJBYEK-UHFFFAOYSA-N 1 2 421.589 3.917 50 0 HHAALO CCC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000032775305 521251306 /nfs/dbraw/zinc/25/13/06/521251306.db2.gz KVVWFZYDVJLOMN-QGZVFWFLSA-N 1 2 422.978 3.552 50 0 HHAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000032775305 521251310 /nfs/dbraw/zinc/25/13/10/521251310.db2.gz KVVWFZYDVJLOMN-QGZVFWFLSA-N 1 2 422.978 3.552 50 0 HHAALO CC[N@@H+]1CCc2c(sc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2C(N)=O)C1 ZINC000032579207 521724830 /nfs/dbraw/zinc/72/48/30/521724830.db2.gz PRLCYJPMXOGPOI-UHFFFAOYSA-N 1 2 412.437 3.888 50 0 HHAALO CC[N@H+]1CCc2c(sc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2C(N)=O)C1 ZINC000032579207 521724831 /nfs/dbraw/zinc/72/48/31/521724831.db2.gz PRLCYJPMXOGPOI-UHFFFAOYSA-N 1 2 412.437 3.888 50 0 HHAALO COc1cc(C[N@@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020535718 522383911 /nfs/dbraw/zinc/38/39/11/522383911.db2.gz IRKBAFQWNKVDAQ-FQEVSTJZSA-N 1 2 423.557 3.562 50 0 HHAALO COc1cc(C[N@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@@H]2CCO)cc(OC)c1 ZINC000020535718 522383915 /nfs/dbraw/zinc/38/39/15/522383915.db2.gz IRKBAFQWNKVDAQ-FQEVSTJZSA-N 1 2 423.557 3.562 50 0 HHAALO COc1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000032720260 524063923 /nfs/dbraw/zinc/06/39/23/524063923.db2.gz FSTTYKFEDJLQIC-IBGZPJMESA-N 1 2 406.530 3.634 50 0 HHAALO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000032720260 524063924 /nfs/dbraw/zinc/06/39/24/524063924.db2.gz FSTTYKFEDJLQIC-IBGZPJMESA-N 1 2 406.530 3.634 50 0 HHAALO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c(C)c1 ZINC000024097004 524317329 /nfs/dbraw/zinc/31/73/29/524317329.db2.gz TUMFLRHXPYQQTI-UHFFFAOYSA-N 1 2 409.555 3.667 50 0 HHAALO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)c(C)c1 ZINC000033312763 525696896 /nfs/dbraw/zinc/69/68/96/525696896.db2.gz GLRVVZPGYJKNEX-CJFMBICVSA-N 1 2 419.569 3.702 50 0 HHAALO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)c(C)c1 ZINC000033312763 525696904 /nfs/dbraw/zinc/69/69/04/525696904.db2.gz GLRVVZPGYJKNEX-CJFMBICVSA-N 1 2 419.569 3.702 50 0 HHAALO O=C(CCOc1cccc(Br)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220196 526531026 /nfs/dbraw/zinc/53/10/26/526531026.db2.gz GKOOZIGDJKHUKM-UHFFFAOYSA-N 1 2 414.303 3.779 50 0 HHAALO O=C(NCc1cccc(C(F)(F)F)c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802230 526710309 /nfs/dbraw/zinc/71/03/09/526710309.db2.gz YFEGQUFSMVZMHV-IBGZPJMESA-N 1 2 407.436 3.578 50 0 HHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000032860028 526750195 /nfs/dbraw/zinc/75/01/95/526750195.db2.gz VFHIWSCOCRWUSR-JOCHJYFZSA-N 1 2 424.504 3.754 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000042253026 526782337 /nfs/dbraw/zinc/78/23/37/526782337.db2.gz ASWWBZCBHCNKSG-UHFFFAOYSA-N 1 2 403.876 3.699 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042080740 526782354 /nfs/dbraw/zinc/78/23/54/526782354.db2.gz OYIWMOZIWWEVAI-GOEBONIOSA-N 1 2 403.876 3.699 50 0 HHAALO Cc1sc2ncnc(SCCC(=O)N3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000040288236 526901567 /nfs/dbraw/zinc/90/15/67/526901567.db2.gz CQNHGUGJOSGVJE-UHFFFAOYSA-N 1 2 413.572 3.534 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000032809222 527453632 /nfs/dbraw/zinc/45/36/32/527453632.db2.gz FDCDSQJQOIMIAF-FQEVSTJZSA-N 1 2 420.904 3.848 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2cc(C)ccc2C)CC1 ZINC000015880897 537072077 /nfs/dbraw/zinc/07/20/77/537072077.db2.gz SRSCCZFRGPLXIX-UHFFFAOYSA-N 1 2 414.513 3.768 50 0 HHAALO Cc1ccccc1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N3CCC(C)CC3)c2C1 ZINC000034679184 557367792 /nfs/dbraw/zinc/36/77/92/557367792.db2.gz RWDZBOKBNPEELN-UHFFFAOYSA-N 1 2 419.573 3.820 50 0 HHAALO COc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCc4ccccc4)o3)CC2)c1 ZINC000034684832 557387983 /nfs/dbraw/zinc/38/79/83/557387983.db2.gz ZOFIIICBGASATB-UHFFFAOYSA-N 1 2 405.498 3.540 50 0 HHAALO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000022925450 558271487 /nfs/dbraw/zinc/27/14/87/558271487.db2.gz XLXJSIMWPUVNJS-NRFANRHFSA-N 1 2 401.913 3.617 50 0 HHAALO CCOC(=O)c1c[nH+]c2cc(C(F)(F)F)ccc2c1N1CCC(C(=O)OC)CC1 ZINC000019891675 558303169 /nfs/dbraw/zinc/30/31/69/558303169.db2.gz GSZPZSNRTDDCFC-UHFFFAOYSA-N 1 2 410.392 3.820 50 0 HHAALO CCCOc1cccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)c1 ZINC000020068815 558330317 /nfs/dbraw/zinc/33/03/17/558330317.db2.gz IZDLCKKATDSACO-UHFFFAOYSA-N 1 2 419.525 3.753 50 0 HHAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000020176944 558343999 /nfs/dbraw/zinc/34/39/99/558343999.db2.gz LRILEDKFEBYCQL-UHFFFAOYSA-N 1 2 410.539 3.745 50 0 HHAALO O=c1[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c(O)c1[C@H]1[NH2+]CCc2ccccc21 ZINC000020188818 558344386 /nfs/dbraw/zinc/34/43/86/558344386.db2.gz VOQVGWHSWHYXFG-INIZCTEOSA-N 1 2 419.428 3.855 50 0 HHAALO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000012297311 558367353 /nfs/dbraw/zinc/36/73/53/558367353.db2.gz HSPHTQBRPFYQSK-VWLOTQADSA-N 1 2 417.509 3.901 50 0 HHAALO CCCCn1c(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)cnc1S(=O)(=O)CC ZINC000012307354 558375752 /nfs/dbraw/zinc/37/57/52/558375752.db2.gz HWAISZMQBGHFKU-HXUWFJFHSA-N 1 2 418.607 3.859 50 0 HHAALO CCCCn1c(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)cnc1S(=O)(=O)CC ZINC000012307354 558375756 /nfs/dbraw/zinc/37/57/56/558375756.db2.gz HWAISZMQBGHFKU-HXUWFJFHSA-N 1 2 418.607 3.859 50 0 HHAALO Cc1noc(C)c1COc1cccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020617587 558393835 /nfs/dbraw/zinc/39/38/35/558393835.db2.gz XXGCSYXCJXWZAY-UHFFFAOYSA-N 1 2 421.497 3.955 50 0 HHAALO CC[C@@H](C)n1c(=O)c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)[nH]c1=S ZINC000020622439 558394107 /nfs/dbraw/zinc/39/41/07/558394107.db2.gz DSEVQDYZZJLHMH-JDNHERCYSA-N 1 2 404.923 3.952 50 0 HHAALO CC[C@@H](C)n1c(O)c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020622439 558394108 /nfs/dbraw/zinc/39/41/08/558394108.db2.gz DSEVQDYZZJLHMH-JDNHERCYSA-N 1 2 404.923 3.952 50 0 HHAALO Cc1nonc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012439266 558410920 /nfs/dbraw/zinc/41/09/20/558410920.db2.gz JKCNNQUYFHMSBN-UHFFFAOYSA-N 1 2 417.469 3.651 50 0 HHAALO Cc1nonc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012439266 558410921 /nfs/dbraw/zinc/41/09/21/558410921.db2.gz JKCNNQUYFHMSBN-UHFFFAOYSA-N 1 2 417.469 3.651 50 0 HHAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2)Nc1ccccc1 ZINC000020901845 558420499 /nfs/dbraw/zinc/42/04/99/558420499.db2.gz JZPLKFNSKUHOBZ-UHFFFAOYSA-N 1 2 424.501 3.610 50 0 HHAALO O=C(CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2)Nc1ccccc1 ZINC000020901845 558420501 /nfs/dbraw/zinc/42/05/01/558420501.db2.gz JZPLKFNSKUHOBZ-UHFFFAOYSA-N 1 2 424.501 3.610 50 0 HHAALO Cn1cc[nH+]c1[C@H](Nc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000012627448 558440246 /nfs/dbraw/zinc/44/02/46/558440246.db2.gz HQGYQNOAICBMBV-HXUWFJFHSA-N 1 2 405.889 3.880 50 0 HHAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3c(C)cc(C)cc3C)CC2)cc1 ZINC000022608873 558501014 /nfs/dbraw/zinc/50/10/14/558501014.db2.gz GTRBBWJTARVKOX-JOCHJYFZSA-N 1 2 410.558 3.766 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000013114646 558515796 /nfs/dbraw/zinc/51/57/96/558515796.db2.gz RATSCABRNDYFEH-HNNXBMFYSA-N 1 2 424.482 3.510 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000013114646 558515799 /nfs/dbraw/zinc/51/57/99/558515799.db2.gz RATSCABRNDYFEH-HNNXBMFYSA-N 1 2 424.482 3.510 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912816 558519964 /nfs/dbraw/zinc/51/99/64/558519964.db2.gz DHWZRKJLFMEDQQ-AWEZNQCLSA-N 1 2 408.365 3.655 50 0 HHAALO O=C(C1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1)N1CCCCCC1 ZINC000023653241 558565231 /nfs/dbraw/zinc/56/52/31/558565231.db2.gz ACERBWSJJDHJRS-UHFFFAOYSA-N 1 2 402.926 3.603 50 0 HHAALO O=C(c1cc(Cl)nc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023881304 558579563 /nfs/dbraw/zinc/57/95/63/558579563.db2.gz DABCQOBOOUSBIX-UHFFFAOYSA-N 1 2 409.873 3.575 50 0 HHAALO CC(C)(CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)[NH+]1CCOCC1 ZINC000023881164 558579636 /nfs/dbraw/zinc/57/96/36/558579636.db2.gz YPYILYTZDDSACW-UHFFFAOYSA-N 1 2 405.498 3.849 50 0 HHAALO O=C(c1nccnc1-c1nc2ccccc2s1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023982785 558583341 /nfs/dbraw/zinc/58/33/41/558583341.db2.gz AQIPYSUPZGJDHV-UHFFFAOYSA-N 1 2 421.551 3.773 50 0 HHAALO CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000013765996 558591230 /nfs/dbraw/zinc/59/12/30/558591230.db2.gz NKPDADVFODUXTE-QJOMJCCJSA-N 1 2 416.525 3.984 50 0 HHAALO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000025390294 558639776 /nfs/dbraw/zinc/63/97/76/558639776.db2.gz FSCVFQCSFJLGTL-HUUCEWRRSA-N 1 2 424.442 3.627 50 0 HHAALO CCOC(=O)Cc1nn(C[N@H+](C)C(c2ccccc2)c2ccccc2)c(=S)n1C ZINC000014238595 558642642 /nfs/dbraw/zinc/64/26/42/558642642.db2.gz HRXHHCXAGQDWJW-UHFFFAOYSA-N 1 2 410.543 3.736 50 0 HHAALO CCOC(=O)Cc1nn(C[N@@H+](C)C(c2ccccc2)c2ccccc2)c(=S)n1C ZINC000014238595 558642645 /nfs/dbraw/zinc/64/26/45/558642645.db2.gz HRXHHCXAGQDWJW-UHFFFAOYSA-N 1 2 410.543 3.736 50 0 HHAALO C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025703321 558648360 /nfs/dbraw/zinc/64/83/60/558648360.db2.gz SFNVFLJKNTXTIW-OAHLLOKOSA-N 1 2 414.556 3.623 50 0 HHAALO COc1ccc(-c2nnc([C@H](C)[N@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000027511594 558673967 /nfs/dbraw/zinc/67/39/67/558673967.db2.gz OJIAJBYVIPWIGS-KRWDZBQOSA-N 1 2 408.502 3.775 50 0 HHAALO COc1ccc(-c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000027511594 558673969 /nfs/dbraw/zinc/67/39/69/558673969.db2.gz OJIAJBYVIPWIGS-KRWDZBQOSA-N 1 2 408.502 3.775 50 0 HHAALO C[N@H+](Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1)Cc1ccccc1 ZINC000014886626 558677633 /nfs/dbraw/zinc/67/76/33/558677633.db2.gz ZFKGSOIZHAGWDY-FQEVSTJZSA-N 1 2 409.559 3.776 50 0 HHAALO C[N@@H+](Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1)Cc1ccccc1 ZINC000014886626 558677635 /nfs/dbraw/zinc/67/76/35/558677635.db2.gz ZFKGSOIZHAGWDY-FQEVSTJZSA-N 1 2 409.559 3.776 50 0 HHAALO O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000028288858 558695784 /nfs/dbraw/zinc/69/57/84/558695784.db2.gz UXCSWEOCVJICKR-UHFFFAOYSA-N 1 2 416.525 3.616 50 0 HHAALO CC(C)c1csc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000015062249 558705079 /nfs/dbraw/zinc/70/50/79/558705079.db2.gz KCMQCZHPFPSHAB-GOSISDBHSA-N 1 2 407.605 3.598 50 0 HHAALO CC(C)c1csc(C[N@H+]2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000015062249 558705082 /nfs/dbraw/zinc/70/50/82/558705082.db2.gz KCMQCZHPFPSHAB-GOSISDBHSA-N 1 2 407.605 3.598 50 0 HHAALO CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000028867827 558706098 /nfs/dbraw/zinc/70/60/98/558706098.db2.gz UDBSMEMFVAKCCW-KRWDZBQOSA-N 1 2 409.511 3.806 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000028947538 558707985 /nfs/dbraw/zinc/70/79/85/558707985.db2.gz KCXZQPBYVIAHBK-FQEVSTJZSA-N 1 2 421.888 3.962 50 0 HHAALO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000015066453 558709436 /nfs/dbraw/zinc/70/94/36/558709436.db2.gz RHJPFAGOXIMVAX-UHFFFAOYSA-N 1 2 420.513 3.507 50 0 HHAALO COc1cccc([C@@H](NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c2[nH+]ccn2C)c1 ZINC000029096707 558709931 /nfs/dbraw/zinc/70/99/31/558709931.db2.gz ZXKCCYICCXNGRP-XMMPIXPASA-N 1 2 417.509 3.786 50 0 HHAALO COc1ccccc1[C@H](C)[N@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 ZINC000015071194 558713055 /nfs/dbraw/zinc/71/30/55/558713055.db2.gz RVAUWSVISNUKKO-AWEZNQCLSA-N 1 2 413.474 3.964 50 0 HHAALO COc1ccccc1[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 ZINC000015071194 558713057 /nfs/dbraw/zinc/71/30/57/558713057.db2.gz RVAUWSVISNUKKO-AWEZNQCLSA-N 1 2 413.474 3.964 50 0 HHAALO C[C@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000029594612 558717642 /nfs/dbraw/zinc/71/76/42/558717642.db2.gz NOGJHYPOQHCEKY-LBPRGKRZSA-N 1 2 400.363 3.904 50 0 HHAALO C[C@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000029594612 558717640 /nfs/dbraw/zinc/71/76/40/558717640.db2.gz NOGJHYPOQHCEKY-LBPRGKRZSA-N 1 2 400.363 3.904 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)[C@H](c2ccccc2)C1 ZINC000030030677 558726720 /nfs/dbraw/zinc/72/67/20/558726720.db2.gz PQZMVUJLTZLQDG-QHCPKHFHSA-N 1 2 411.509 3.609 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)[C@H](c2ccccc2)C1 ZINC000030030677 558726722 /nfs/dbraw/zinc/72/67/22/558726722.db2.gz PQZMVUJLTZLQDG-QHCPKHFHSA-N 1 2 411.509 3.609 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000030630754 558734615 /nfs/dbraw/zinc/73/46/15/558734615.db2.gz YOLLRTSCTWCALM-NRFANRHFSA-N 1 2 423.538 3.709 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000030630754 558734618 /nfs/dbraw/zinc/73/46/18/558734618.db2.gz YOLLRTSCTWCALM-NRFANRHFSA-N 1 2 423.538 3.709 50 0 HHAALO COC(=O)c1ccc(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000030914386 558744681 /nfs/dbraw/zinc/74/46/81/558744681.db2.gz UMMAIYINNILMMZ-UHFFFAOYSA-N 1 2 413.827 3.863 50 0 HHAALO Cc1cc(O[C@H](C)C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc(C)c1Cl ZINC000015669924 558747983 /nfs/dbraw/zinc/74/79/83/558747983.db2.gz KDHOIXFMNXZEHZ-GOSISDBHSA-N 1 2 401.938 3.506 50 0 HHAALO COc1cc2c(cc1C[NH+]1CCN(CCOCCO)CC1)oc(C)c2-c1ccccc1 ZINC000022077710 558779043 /nfs/dbraw/zinc/77/90/43/558779043.db2.gz YGXDPORWCUHKEQ-UHFFFAOYSA-N 1 2 424.541 3.543 50 0 HHAALO COc1ccc2[nH]c(CN3CC[N@H+](Cc4ccccc4F)[C@H](CCO)C3)c(C)c2c1 ZINC000039499945 558821745 /nfs/dbraw/zinc/82/17/45/558821745.db2.gz RESOFKXCJQGPBV-LJQANCHMSA-N 1 2 411.521 3.693 50 0 HHAALO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4ccccc4F)[C@H](CCO)C3)c(C)c2c1 ZINC000039499945 558821746 /nfs/dbraw/zinc/82/17/46/558821746.db2.gz RESOFKXCJQGPBV-LJQANCHMSA-N 1 2 411.521 3.693 50 0 HHAALO COc1cc(C[N@@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc(OC)c1 ZINC000039519111 558822298 /nfs/dbraw/zinc/82/22/98/558822298.db2.gz IRKBAFQWNKVDAQ-HXUWFJFHSA-N 1 2 423.557 3.562 50 0 HHAALO COc1cc(C[N@H+]2CCN(Cc3[nH]c4ccccc4c3C)C[C@H]2CCO)cc(OC)c1 ZINC000039519111 558822300 /nfs/dbraw/zinc/82/23/00/558822300.db2.gz IRKBAFQWNKVDAQ-HXUWFJFHSA-N 1 2 423.557 3.562 50 0 HHAALO CCc1cccc(C)c1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000013573405 558844824 /nfs/dbraw/zinc/84/48/24/558844824.db2.gz FYONLNKVFXHMLR-UHFFFAOYSA-N 1 2 412.603 3.874 50 0 HHAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000055211710 558876218 /nfs/dbraw/zinc/87/62/18/558876218.db2.gz IVCJIWRNWVMWRC-UHFFFAOYSA-N 1 2 403.408 3.781 50 0 HHAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000071966935 558881820 /nfs/dbraw/zinc/88/18/20/558881820.db2.gz CJJBTPOSZMAOPV-UHFFFAOYSA-N 1 2 411.824 3.953 50 0 HHAALO Clc1ccc(OCC[NH+]2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000058005384 558894404 /nfs/dbraw/zinc/89/44/04/558894404.db2.gz RCIFUTCJRBALPB-UHFFFAOYSA-N 1 2 412.921 3.510 50 0 HHAALO CCOc1ccccc1N1CC[NH+](CC(=O)N(Cc2ccccc2F)C2CC2)CC1 ZINC000058172479 558908293 /nfs/dbraw/zinc/90/82/93/558908293.db2.gz CGHYEVBVHBHDCA-UHFFFAOYSA-N 1 2 411.521 3.538 50 0 HHAALO Cc1ccc(C)c(C(=O)CCC(=O)N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000058177830 558909636 /nfs/dbraw/zinc/90/96/36/558909636.db2.gz BVYIJCKQMNKUCX-UHFFFAOYSA-N 1 2 404.514 3.882 50 0 HHAALO O=C1N(C[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2C12OCC=CCO2 ZINC000004721821 558925364 /nfs/dbraw/zinc/92/53/64/558925364.db2.gz FCHRSMCUGOOQFE-UHFFFAOYSA-N 1 2 404.510 3.701 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cnn(C)c2)nc2c(C)c(C)ccc12 ZINC000063871477 558960573 /nfs/dbraw/zinc/96/05/73/558960573.db2.gz MLBIIQQMJDBBRF-UHFFFAOYSA-N 1 2 402.502 3.648 50 0 HHAALO O=C1C([C@@H](c2cccc(F)c2)N2CC[NH+](Cc3ccccc3)CC2)Sc2ncnn21 ZINC000022031256 558985500 /nfs/dbraw/zinc/98/55/00/558985500.db2.gz IZYUABCODVDGLV-LJQANCHMSA-N 1 2 423.517 3.543 50 0 HHAALO CN(Cc1[nH]cc[nH+]1)c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cn1 ZINC000067740732 558992087 /nfs/dbraw/zinc/99/20/87/558992087.db2.gz IXBPBSDMAIGNQR-UHFFFAOYSA-N 1 2 403.530 3.926 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1C ZINC000023108184 559011003 /nfs/dbraw/zinc/01/10/03/559011003.db2.gz FFTNCSCVRORAHP-DEOSSOPVSA-N 1 2 424.566 3.808 50 0 HHAALO O=S(=O)(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000023127796 559016172 /nfs/dbraw/zinc/01/61/72/559016172.db2.gz XBAVBJSAOLWBKB-QHCPKHFHSA-N 1 2 410.539 3.582 50 0 HHAALO O=S(=O)(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000023127796 559016174 /nfs/dbraw/zinc/01/61/74/559016174.db2.gz XBAVBJSAOLWBKB-QHCPKHFHSA-N 1 2 410.539 3.582 50 0 HHAALO CC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCC[NH+]2CCOCC2)C1 ZINC000096247518 559105191 /nfs/dbraw/zinc/10/51/91/559105191.db2.gz NSSMCHDSEHPKLQ-UHFFFAOYSA-N 1 2 408.498 3.971 50 0 HHAALO Cc1cccc(Oc2cc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ncn2)c1 ZINC000096281929 559108716 /nfs/dbraw/zinc/10/87/16/559108716.db2.gz HUGBOYOAQYNKQJ-UHFFFAOYSA-N 1 2 404.470 3.628 50 0 HHAALO CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CC[NH+](C)CC3)c2c1 ZINC000023643438 559178516 /nfs/dbraw/zinc/17/85/16/559178516.db2.gz MGMLJCYQKYDLGV-UHFFFAOYSA-N 1 2 405.498 3.625 50 0 HHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024049742 559189169 /nfs/dbraw/zinc/18/91/69/559189169.db2.gz UKHSPMAUIRTLOH-UHFFFAOYSA-N 1 2 400.404 3.854 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000033597255 559217307 /nfs/dbraw/zinc/21/73/07/559217307.db2.gz FKIJMBKEJNQGDI-UHFFFAOYSA-N 1 2 408.546 3.532 50 0 HHAALO Cc1ccccc1C(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000033706773 559230816 /nfs/dbraw/zinc/23/08/16/559230816.db2.gz LFZXHTXWQRURGV-UHFFFAOYSA-N 1 2 400.526 3.955 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000005592733 560627568 /nfs/dbraw/zinc/62/75/68/560627568.db2.gz QEMIFWRQHREMLK-HNNXBMFYSA-N 1 2 410.470 3.808 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000005592733 560627569 /nfs/dbraw/zinc/62/75/69/560627569.db2.gz QEMIFWRQHREMLK-HNNXBMFYSA-N 1 2 410.470 3.808 50 0 HHAALO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC000048287421 568434661 /nfs/dbraw/zinc/43/46/61/568434661.db2.gz IWYRBWLYUXOJKQ-UGKGYDQZSA-N 1 2 420.557 3.688 50 0 HHAALO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048366577 568441890 /nfs/dbraw/zinc/44/18/90/568441890.db2.gz HYDCETHCGPDLQJ-OAQYLSRUSA-N 1 2 407.470 3.962 50 0 HHAALO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048366577 568441892 /nfs/dbraw/zinc/44/18/92/568441892.db2.gz HYDCETHCGPDLQJ-OAQYLSRUSA-N 1 2 407.470 3.962 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)CCC(=O)c3cc(C)sc3C)CC2)cc1 ZINC000024649468 568455680 /nfs/dbraw/zinc/45/56/80/568455680.db2.gz WYFMUNDXKKVSJO-UHFFFAOYSA-N 1 2 400.544 3.681 50 0 HHAALO Cc1ccc(CCC2CC[NH+](CC(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)cc1 ZINC000012332559 568473006 /nfs/dbraw/zinc/47/30/06/568473006.db2.gz ZNSMZZUXJIFCLD-UHFFFAOYSA-N 1 2 414.571 3.682 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1F ZINC000022925573 568500698 /nfs/dbraw/zinc/50/06/98/568500698.db2.gz ATSBYHYVIDRQQA-HNNXBMFYSA-N 1 2 414.456 3.902 50 0 HHAALO COc1ccc(CN2CC[NH+]([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1F ZINC000022925573 568500699 /nfs/dbraw/zinc/50/06/99/568500699.db2.gz ATSBYHYVIDRQQA-HNNXBMFYSA-N 1 2 414.456 3.902 50 0 HHAALO COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)[NH+]=C3N=CNN32)ccc1C ZINC000220976380 568509370 /nfs/dbraw/zinc/50/93/70/568509370.db2.gz WZDODIRBHORHOG-NRFANRHFSA-N 1 2 403.486 3.792 50 0 HHAALO COc1cccc(N2CC[NH+](CC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)c1 ZINC000039990546 568607645 /nfs/dbraw/zinc/60/76/45/568607645.db2.gz FXNWAKQYJBSFNW-DEOSSOPVSA-N 1 2 421.566 3.785 50 0 HHAALO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000095961698 568670213 /nfs/dbraw/zinc/67/02/13/568670213.db2.gz VVRFAVWSGLSDIK-MRXNPFEDSA-N 1 2 407.417 3.895 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(I)c1 ZINC000022558436 568769965 /nfs/dbraw/zinc/76/99/65/568769965.db2.gz LHEBZYBLQWDKCM-UHFFFAOYSA-N 1 2 405.239 3.842 50 0 HHAALO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724231 568750989 /nfs/dbraw/zinc/75/09/89/568750989.db2.gz MCQQIRZPFOHTEV-UHFFFAOYSA-N 1 2 412.440 3.543 50 0 HHAALO CCOc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(CC)CC2)cc1 ZINC000022460181 568768532 /nfs/dbraw/zinc/76/85/32/568768532.db2.gz YAMIJFKDDSLKMU-UWJYYQICSA-N 1 2 401.576 3.644 50 0 HHAALO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)c1 ZINC000052537650 568769716 /nfs/dbraw/zinc/76/97/16/568769716.db2.gz JZZQRRGOAAHRRE-UHFFFAOYSA-N 1 2 407.436 3.963 50 0 HHAALO COc1ccc(-c2nc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cs2)cc1 ZINC000029027643 568815263 /nfs/dbraw/zinc/81/52/63/568815263.db2.gz BKQFWLNPZSREDH-UHFFFAOYSA-N 1 2 404.495 3.994 50 0 HHAALO O=C(Cc1noc2ccccc12)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029285634 568823895 /nfs/dbraw/zinc/82/38/95/568823895.db2.gz WGLSAMFXXPGLFQ-UHFFFAOYSA-N 1 2 419.403 3.613 50 0 HHAALO COc1ccccc1N1CC[NH+](CC(=O)N(Cc2ccco2)C2=CCCCC2)CC1 ZINC000057293401 568826094 /nfs/dbraw/zinc/82/60/94/568826094.db2.gz LBZKMABJLMQLHT-UHFFFAOYSA-N 1 2 409.530 3.897 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057347856 568827357 /nfs/dbraw/zinc/82/73/57/568827357.db2.gz IIOSDSPVDBAUDE-XMMPIXPASA-N 1 2 418.541 3.521 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057347856 568827359 /nfs/dbraw/zinc/82/73/59/568827359.db2.gz IIOSDSPVDBAUDE-XMMPIXPASA-N 1 2 418.541 3.521 50 0 HHAALO COc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH+]c2c1 ZINC000003047788 568849405 /nfs/dbraw/zinc/84/94/05/568849405.db2.gz OSVMRGRWISRIJP-MRXNPFEDSA-N 1 2 412.921 3.800 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000012544388 568849654 /nfs/dbraw/zinc/84/96/54/568849654.db2.gz PLGLSYZVXLNPLG-MRXNPFEDSA-N 1 2 417.250 3.544 50 0 HHAALO COc1ccc(-c2nc(C)c(C(=O)NCCc3cn4ccccc4[nH+]3)s2)cc1OC ZINC000012577482 568862759 /nfs/dbraw/zinc/86/27/59/568862759.db2.gz ZMZSTEGDQCMCKT-UHFFFAOYSA-N 1 2 422.510 3.756 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccccc1 ZINC000012614772 568872073 /nfs/dbraw/zinc/87/20/73/568872073.db2.gz FVGKMWHZARIJKP-UHFFFAOYSA-N 1 2 406.313 3.826 50 0 HHAALO CC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000031174086 568917052 /nfs/dbraw/zinc/91/70/52/568917052.db2.gz AUZSPIXSQWDAME-CQSZACIVSA-N 1 2 423.494 3.907 50 0 HHAALO CC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000031174086 568917055 /nfs/dbraw/zinc/91/70/55/568917055.db2.gz AUZSPIXSQWDAME-CQSZACIVSA-N 1 2 423.494 3.907 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000031557797 568927997 /nfs/dbraw/zinc/92/79/97/568927997.db2.gz XDURGZZLWDJFDV-SCLBCKFNSA-N 1 2 424.328 3.544 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000031557797 568927998 /nfs/dbraw/zinc/92/79/98/568927998.db2.gz XDURGZZLWDJFDV-SCLBCKFNSA-N 1 2 424.328 3.544 50 0 HHAALO CC(=O)c1ccc(OCCCC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000012748427 568934538 /nfs/dbraw/zinc/93/45/38/568934538.db2.gz MXFLLPSKKLQQHJ-JOCHJYFZSA-N 1 2 409.461 3.827 50 0 HHAALO Cc1cc(Br)c(O)c(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000084074630 568935668 /nfs/dbraw/zinc/93/56/68/568935668.db2.gz RLTWVNHWOIEUDK-UHFFFAOYSA-N 1 2 404.308 3.778 50 0 HHAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004091096 568942453 /nfs/dbraw/zinc/94/24/53/568942453.db2.gz HFWMMDOYAKLLLP-HXUWFJFHSA-N 1 2 421.522 3.601 50 0 HHAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000015551235 568949121 /nfs/dbraw/zinc/94/91/21/568949121.db2.gz YGKOSMBHDHJODK-UHFFFAOYSA-N 1 2 420.300 3.653 50 0 HHAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000015551235 568949122 /nfs/dbraw/zinc/94/91/22/568949122.db2.gz YGKOSMBHDHJODK-UHFFFAOYSA-N 1 2 420.300 3.653 50 0 HHAALO COc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)ccc1OCc1ccccc1 ZINC000012769522 568950498 /nfs/dbraw/zinc/95/04/98/568950498.db2.gz MVSYXUSQCSLVPY-UHFFFAOYSA-N 1 2 414.465 3.785 50 0 HHAALO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccc2c(c1)OCO2 ZINC000008328820 568992915 /nfs/dbraw/zinc/99/29/15/568992915.db2.gz NCBMJCBVTBOMLC-UHFFFAOYSA-N 1 2 410.470 3.917 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1ccc2c(c1)OCO2 ZINC000008328820 568992916 /nfs/dbraw/zinc/99/29/16/568992916.db2.gz NCBMJCBVTBOMLC-UHFFFAOYSA-N 1 2 410.470 3.917 50 0 HHAALO COc1cccc(C[N@@H+]2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)c1 ZINC000015779091 569001780 /nfs/dbraw/zinc/00/17/80/569001780.db2.gz PYWIUUQSULLPBD-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1cccc(C[N@H+]2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)c1 ZINC000015779091 569001783 /nfs/dbraw/zinc/00/17/83/569001783.db2.gz PYWIUUQSULLPBD-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1cc(C[N@@H+]2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)cc(OC)c1 ZINC000104466547 569008735 /nfs/dbraw/zinc/00/87/35/569008735.db2.gz JRNXBEGUNPVNJR-QGZVFWFLSA-N 1 2 422.928 3.565 50 0 HHAALO COc1cc(C[N@H+]2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)cc(OC)c1 ZINC000104466547 569008736 /nfs/dbraw/zinc/00/87/36/569008736.db2.gz JRNXBEGUNPVNJR-QGZVFWFLSA-N 1 2 422.928 3.565 50 0 HHAALO CCOc1ccc(CN2CC[N@H+](C/C=C/c3ccccc3OC)C[C@H]2CCO)cc1 ZINC000105268638 569009146 /nfs/dbraw/zinc/00/91/46/569009146.db2.gz LNDUVYGXYZIAIR-AVAOGFIGSA-N 1 2 410.558 3.676 50 0 HHAALO CCOc1ccc(CN2CC[N@@H+](C/C=C/c3ccccc3OC)C[C@H]2CCO)cc1 ZINC000105268638 569009147 /nfs/dbraw/zinc/00/91/47/569009147.db2.gz LNDUVYGXYZIAIR-AVAOGFIGSA-N 1 2 410.558 3.676 50 0 HHAALO CC(C)(C)c1ccc(C[NH+]2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000012864027 569012020 /nfs/dbraw/zinc/01/20/20/569012020.db2.gz SHBMBUQGAVWUKW-UHFFFAOYSA-N 1 2 408.514 3.769 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1C ZINC000012950996 569029560 /nfs/dbraw/zinc/02/95/60/569029560.db2.gz ZWLJSLGTTUJVFB-SFHVURJKSA-N 1 2 401.532 3.694 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1C ZINC000012950996 569029561 /nfs/dbraw/zinc/02/95/61/569029561.db2.gz ZWLJSLGTTUJVFB-SFHVURJKSA-N 1 2 401.532 3.694 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccc(F)cc1 ZINC000035404494 569035708 /nfs/dbraw/zinc/03/57/08/569035708.db2.gz BIVWVHIWEGNTBL-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccc(F)cc1 ZINC000035404494 569035709 /nfs/dbraw/zinc/03/57/09/569035709.db2.gz BIVWVHIWEGNTBL-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000035489043 569039821 /nfs/dbraw/zinc/03/98/21/569039821.db2.gz FEQCHFKXRWOKSM-DEOSSOPVSA-N 1 2 408.505 3.952 50 0 HHAALO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000035489043 569039822 /nfs/dbraw/zinc/03/98/22/569039822.db2.gz FEQCHFKXRWOKSM-DEOSSOPVSA-N 1 2 408.505 3.952 50 0 HHAALO O=C(N1CCCSC[C@@H]1C[NH+]1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000090609106 569042372 /nfs/dbraw/zinc/04/23/72/569042372.db2.gz NAQQCMYNXZANSR-FQEVSTJZSA-N 1 2 423.022 3.818 50 0 HHAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000035597361 569045668 /nfs/dbraw/zinc/04/56/68/569045668.db2.gz XMMJNEMUFQYNBT-UHFFFAOYSA-N 1 2 414.425 3.695 50 0 HHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000240407380 569054513 /nfs/dbraw/zinc/05/45/13/569054513.db2.gz FLVIPEYGDVMYIU-GJJHYRHESA-N 1 2 414.937 3.515 50 0 HHAALO CC[C@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)c1nc(C)c[nH]1 ZINC000426527686 569073329 /nfs/dbraw/zinc/07/33/29/569073329.db2.gz FYPIQHOEZZRWQI-SFHVURJKSA-N 1 2 413.547 3.824 50 0 HHAALO CC[C@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)c1nc(C)c[nH]1 ZINC000426527686 569073330 /nfs/dbraw/zinc/07/33/30/569073330.db2.gz FYPIQHOEZZRWQI-SFHVURJKSA-N 1 2 413.547 3.824 50 0 HHAALO CCN(C[C@H]1CCCO1)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426548726 569073389 /nfs/dbraw/zinc/07/33/89/569073389.db2.gz CWPMERVVFZOCIR-MRXNPFEDSA-N 1 2 403.548 3.552 50 0 HHAALO CCN(C[C@H]1CCCO1)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426548726 569073390 /nfs/dbraw/zinc/07/33/90/569073390.db2.gz CWPMERVVFZOCIR-MRXNPFEDSA-N 1 2 403.548 3.552 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cc(C)no4)csc3C2)nc1 ZINC000426530788 569073412 /nfs/dbraw/zinc/07/34/12/569073412.db2.gz JHRRGMFMXXHHPX-UHFFFAOYSA-N 1 2 410.543 3.832 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cc(C)no4)csc3C2)nc1 ZINC000426530788 569073413 /nfs/dbraw/zinc/07/34/13/569073413.db2.gz JHRRGMFMXXHHPX-UHFFFAOYSA-N 1 2 410.543 3.832 50 0 HHAALO Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCCn2cc[nH+]c2)cc1 ZINC000006651939 569081721 /nfs/dbraw/zinc/08/17/21/569081721.db2.gz BNZKMOPDSNVNSD-UHFFFAOYSA-N 1 2 412.471 3.775 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000006775876 569118946 /nfs/dbraw/zinc/11/89/46/569118946.db2.gz SANHNBYXRNUTLP-UHFFFAOYSA-N 1 2 409.578 3.795 50 0 HHAALO CC(C)Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2[nH+]1 ZINC000036359713 569151605 /nfs/dbraw/zinc/15/16/05/569151605.db2.gz WSACBHYMZSFEKP-UHFFFAOYSA-N 1 2 412.515 3.689 50 0 HHAALO CCc1cccc(-n2c(SCc3cn4ccccc4[nH+]3)nnc2N2CCOCC2)c1 ZINC000006934903 569184993 /nfs/dbraw/zinc/18/49/93/569184993.db2.gz LYWRWPUNQGSCQH-UHFFFAOYSA-N 1 2 420.542 3.606 50 0 HHAALO COc1ccc(NC(=O)C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1Cl ZINC000065237025 569202637 /nfs/dbraw/zinc/20/26/37/569202637.db2.gz GYPBSDYUOWRJBP-UHFFFAOYSA-N 1 2 415.925 3.594 50 0 HHAALO COc1ccc(NC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1Cl ZINC000065237025 569202640 /nfs/dbraw/zinc/20/26/40/569202640.db2.gz GYPBSDYUOWRJBP-UHFFFAOYSA-N 1 2 415.925 3.594 50 0 HHAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)CSc1ccccc1)C2 ZINC000065259895 569210869 /nfs/dbraw/zinc/21/08/69/569210869.db2.gz FENURMQXMPTUIT-QHCPKHFHSA-N 1 2 424.570 3.532 50 0 HHAALO O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000524735577 569214190 /nfs/dbraw/zinc/21/41/90/569214190.db2.gz LIMGMGXONASTDK-JOCHJYFZSA-N 1 2 409.555 3.752 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000065584752 569236505 /nfs/dbraw/zinc/23/65/05/569236505.db2.gz KTTXTSQCAGECHV-UHFFFAOYSA-N 1 2 405.527 3.866 50 0 HHAALO O=c1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccc(O)cc2o1 ZINC000089887745 569267738 /nfs/dbraw/zinc/26/77/38/569267738.db2.gz WADQIHHZASFRPU-UHFFFAOYSA-N 1 2 404.388 3.840 50 0 HHAALO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000007607236 569295286 /nfs/dbraw/zinc/29/52/86/569295286.db2.gz QQMNOPLFLJSIKK-UHFFFAOYSA-N 1 2 416.312 3.503 50 0 HHAALO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(Br)cc2)cc1F ZINC000007607236 569295285 /nfs/dbraw/zinc/29/52/85/569295285.db2.gz QQMNOPLFLJSIKK-UHFFFAOYSA-N 1 2 416.312 3.503 50 0 HHAALO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000253419148 569367672 /nfs/dbraw/zinc/36/76/72/569367672.db2.gz JZFSZIXWHHXPHF-SCLBCKFNSA-N 1 2 403.408 3.920 50 0 HHAALO CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000328592411 569415399 /nfs/dbraw/zinc/41/53/99/569415399.db2.gz HZVBMZBWKDMRLD-HSQYWUDLSA-N 1 2 414.571 3.706 50 0 HHAALO CSc1ccc(O[C@@H](C)C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000328592411 569415401 /nfs/dbraw/zinc/41/54/01/569415401.db2.gz HZVBMZBWKDMRLD-HSQYWUDLSA-N 1 2 414.571 3.706 50 0 HHAALO C[S@@](=O)CC[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000078969629 569422420 /nfs/dbraw/zinc/42/24/20/569422420.db2.gz BBWZZWFLELPDEG-LJAQVGFWSA-N 1 2 420.569 3.873 50 0 HHAALO COc1ccccc1[C@H](NC(=O)c1ccc(Br)s1)c1[nH+]ccn1C ZINC000040013287 571138281 /nfs/dbraw/zinc/13/82/81/571138281.db2.gz BXKOAFNGBVADJP-HNNXBMFYSA-N 1 2 406.305 3.772 50 0 HHAALO O=C(CCOc1cccc(Br)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040023565 571139435 /nfs/dbraw/zinc/13/94/35/571139435.db2.gz ILAMJQJNUBBFTI-UHFFFAOYSA-N 1 2 414.303 3.779 50 0 HHAALO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000040023400 571139440 /nfs/dbraw/zinc/13/94/40/571139440.db2.gz BJTQSTIXJZEGTP-IBGZPJMESA-N 1 2 400.544 3.717 50 0 HHAALO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000040023400 571139442 /nfs/dbraw/zinc/13/94/42/571139442.db2.gz BJTQSTIXJZEGTP-IBGZPJMESA-N 1 2 400.544 3.717 50 0 HHAALO C[C@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000040037352 571141625 /nfs/dbraw/zinc/14/16/25/571141625.db2.gz GCHYULKEQLHFBV-QGZVFWFLSA-N 1 2 419.520 3.513 50 0 HHAALO O=C(NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1)c1ccc[n+]([O-])c1 ZINC000040112507 571170874 /nfs/dbraw/zinc/17/08/74/571170874.db2.gz JMFSQLDRSGNBRO-IBGZPJMESA-N 1 2 413.930 3.564 50 0 HHAALO O=C(NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1)c1ccc[n+]([O-])c1 ZINC000040112507 571170878 /nfs/dbraw/zinc/17/08/78/571170878.db2.gz JMFSQLDRSGNBRO-IBGZPJMESA-N 1 2 413.930 3.564 50 0 HHAALO O=C(NCCn1cc[nH+]c1)Nc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F ZINC000040121102 571176962 /nfs/dbraw/zinc/17/69/62/571176962.db2.gz QEYMDSQUXBVVSI-UHFFFAOYSA-N 1 2 417.391 3.976 50 0 HHAALO CCOc1cccc2c1OCC(C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)=C2 ZINC000040132029 571184443 /nfs/dbraw/zinc/18/44/43/571184443.db2.gz HVVOEQCYBCBZOA-NRFANRHFSA-N 1 2 419.481 3.509 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000040145688 571195797 /nfs/dbraw/zinc/19/57/97/571195797.db2.gz YECXJCZWBGNBMG-IBGZPJMESA-N 1 2 418.563 3.836 50 0 HHAALO Cn1ncc2c1nc[nH+]c2N1CCC([C@H]2CCCCCN2C(=O)c2ccccc2)CC1 ZINC000070021250 571254535 /nfs/dbraw/zinc/25/45/35/571254535.db2.gz FDROWPRPSUPGKW-OAQYLSRUSA-N 1 2 418.545 3.665 50 0 HHAALO CC(=O)Nc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000009517619 571265213 /nfs/dbraw/zinc/26/52/13/571265213.db2.gz KBZYAEKDXHSPBC-UHFFFAOYSA-N 1 2 418.482 3.505 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000009517632 571265270 /nfs/dbraw/zinc/26/52/70/571265270.db2.gz QDKBLSHPJAWYRX-UHFFFAOYSA-N 1 2 415.400 3.964 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000009604294 571273212 /nfs/dbraw/zinc/27/32/12/571273212.db2.gz BXPZTWOXNKYVIH-UHFFFAOYSA-N 1 2 402.454 3.928 50 0 HHAALO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000009643976 571276177 /nfs/dbraw/zinc/27/61/77/571276177.db2.gz WNSAKDSYYHGRJN-UHFFFAOYSA-N 1 2 403.530 3.602 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000009643976 571276179 /nfs/dbraw/zinc/27/61/79/571276179.db2.gz WNSAKDSYYHGRJN-UHFFFAOYSA-N 1 2 403.530 3.602 50 0 HHAALO Cc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)cnc12 ZINC000010164054 571295742 /nfs/dbraw/zinc/29/57/42/571295742.db2.gz JBTCEEGHHVRFGT-SFHVURJKSA-N 1 2 415.497 3.548 50 0 HHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000007781001 571310803 /nfs/dbraw/zinc/31/08/03/571310803.db2.gz TWGPRRVVIQDILT-LJQANCHMSA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000007781001 571310804 /nfs/dbraw/zinc/31/08/04/571310804.db2.gz TWGPRRVVIQDILT-LJQANCHMSA-N 1 2 420.517 3.860 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000022040320 963583168 /nfs/dbraw/zinc/58/31/68/963583168.db2.gz KSNNHQISDXBXPB-VMPITWQZSA-N 1 2 403.448 3.975 50 0 HHAALO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1nc2ccccc2[nH]1 ZINC000299771007 970722141 /nfs/dbraw/zinc/72/21/41/970722141.db2.gz YAMZLSGSALXPML-QHCPKHFHSA-N 1 2 412.493 3.815 50 0 HHAALO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1nc2ccccc2[nH]1 ZINC000299771007 970722150 /nfs/dbraw/zinc/72/21/50/970722150.db2.gz YAMZLSGSALXPML-QHCPKHFHSA-N 1 2 412.493 3.815 50 0 HHAALO COc1cccc(C[N@@H+]2CCOc3ccc([C@@H](O)c4ccncc4)cc3C2)c1OC ZINC000299766513 970722387 /nfs/dbraw/zinc/72/23/87/970722387.db2.gz DRVBPGFJGKYJAK-QHCPKHFHSA-N 1 2 406.482 3.575 50 0 HHAALO COc1cccc(C[N@H+]2CCOc3ccc([C@@H](O)c4ccncc4)cc3C2)c1OC ZINC000299766513 970722391 /nfs/dbraw/zinc/72/23/91/970722391.db2.gz DRVBPGFJGKYJAK-QHCPKHFHSA-N 1 2 406.482 3.575 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000002364860 132253209 /nfs/dbraw/zinc/25/32/09/132253209.db2.gz DVVYKGQSFSUORD-UHFFFAOYSA-N 1 2 414.513 3.768 50 0 HHAALO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@H+](CC)c2cccc(C)c2)C1=O ZINC000003044607 132261988 /nfs/dbraw/zinc/26/19/88/132261988.db2.gz LXLWXEDEMBCYAC-QFIPXVFZSA-N 1 2 423.557 3.840 50 0 HHAALO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[N@@H+](CC)c2cccc(C)c2)C1=O ZINC000003044607 132261990 /nfs/dbraw/zinc/26/19/90/132261990.db2.gz LXLWXEDEMBCYAC-QFIPXVFZSA-N 1 2 423.557 3.840 50 0 HHAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000006833647 132318488 /nfs/dbraw/zinc/31/84/88/132318488.db2.gz RZPBUPMVHXGMIQ-UHFFFAOYSA-N 1 2 400.526 3.955 50 0 HHAALO Cc1nc(C[NH+]2CCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cs1 ZINC000012777629 132367052 /nfs/dbraw/zinc/36/70/52/132367052.db2.gz QNAPQTMEWUERNR-UHFFFAOYSA-N 1 2 402.527 3.779 50 0 HHAALO CC(C)N(C)c1nc(N2CCCCC2)[nH+]c2c1CN(C(=O)c1ccccc1F)CC2 ZINC000034678694 132794657 /nfs/dbraw/zinc/79/46/57/132794657.db2.gz RYRTZYZDGBMDQQ-UHFFFAOYSA-N 1 2 411.525 3.649 50 0 HHAALO COc1cc(CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc(OC)c1 ZINC000032753480 522327886 /nfs/dbraw/zinc/32/78/86/522327886.db2.gz CAGAWXXDJDSOCX-UHFFFAOYSA-N 1 2 420.513 3.770 50 0 HHAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312765 524022352 /nfs/dbraw/zinc/02/23/52/524022352.db2.gz YDKOSFYREXZQGA-KBMIEXCESA-N 1 2 419.569 3.648 50 0 HHAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312765 524022355 /nfs/dbraw/zinc/02/23/55/524022355.db2.gz YDKOSFYREXZQGA-KBMIEXCESA-N 1 2 419.569 3.648 50 0 HHAALO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)cc1 ZINC000020107819 524663263 /nfs/dbraw/zinc/66/32/63/524663263.db2.gz QCXAVJBIIGLTMD-UHFFFAOYSA-N 1 2 405.589 3.678 50 0 HHAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1Cl ZINC000019897189 525036758 /nfs/dbraw/zinc/03/67/58/525036758.db2.gz FFZOPGYIMIHFIC-UHFFFAOYSA-N 1 2 415.342 3.509 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@H](C)c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000029631897 525079860 /nfs/dbraw/zinc/07/98/60/525079860.db2.gz JCWGWAADTYJFEB-QGZVFWFLSA-N 1 2 415.969 3.561 50 0 HHAALO COc1ccc([C@H](NC(=O)c2cnn(-c3ccc(F)cc3)c2C)c2[nH+]ccn2C)cc1 ZINC000032613767 525372220 /nfs/dbraw/zinc/37/22/20/525372220.db2.gz SKUYEYIPFASPNV-NRFANRHFSA-N 1 2 419.460 3.581 50 0 HHAALO Cc1c(Cl)c(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc2ccccc12 ZINC000032797337 525742998 /nfs/dbraw/zinc/74/29/98/525742998.db2.gz ZNCLYZPGCKJJRZ-UHFFFAOYSA-N 1 2 414.981 3.717 50 0 HHAALO Cc1csc(-n2c(C)cc(C(=O)CN3CC[NH+](Cc4ccsc4)CC3)c2C)n1 ZINC000022805103 526305250 /nfs/dbraw/zinc/30/52/50/526305250.db2.gz RSKXCTZRWAZVSZ-UHFFFAOYSA-N 1 2 414.600 3.921 50 0 HHAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000032778162 526771099 /nfs/dbraw/zinc/77/10/99/526771099.db2.gz DXDDXVORGXSZEK-JOCHJYFZSA-N 1 2 424.460 3.652 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042080742 526781862 /nfs/dbraw/zinc/78/18/62/526781862.db2.gz OYIWMOZIWWEVAI-HOCLYGCPSA-N 1 2 403.876 3.699 50 0 HHAALO CCc1cc(N2CCOCC2)nc(SCc2cccc(C(=O)NCC(C)C)c2)[nH+]1 ZINC000006695726 536146368 /nfs/dbraw/zinc/14/63/68/536146368.db2.gz XAROIJJGAUBYML-UHFFFAOYSA-N 1 2 414.575 3.554 50 0 HHAALO CCN(CC)c1nc(Nc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nc(N)[nH+]1 ZINC000000753175 557075872 /nfs/dbraw/zinc/07/58/72/557075872.db2.gz JSKFNGJACACSEY-UHFFFAOYSA-N 1 2 402.458 3.817 50 0 HHAALO CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000001161856 557218827 /nfs/dbraw/zinc/21/88/27/557218827.db2.gz OJYXUZGMWZBEBE-RVAQLADHSA-N 1 2 413.499 3.531 50 0 HHAALO CCN(CC)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)cc1 ZINC000001428124 557261826 /nfs/dbraw/zinc/26/18/26/557261826.db2.gz VANZVFXUPFVKMC-UHFFFAOYSA-N 1 2 409.559 3.965 50 0 HHAALO CCN(CC)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)cc1 ZINC000001428124 557261830 /nfs/dbraw/zinc/26/18/30/557261830.db2.gz VANZVFXUPFVKMC-UHFFFAOYSA-N 1 2 409.559 3.965 50 0 HHAALO CCCCc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)NC(C)C)CC2)n1 ZINC000071889310 557293572 /nfs/dbraw/zinc/29/35/72/557293572.db2.gz BGVCMTYZEIVJJK-IBGZPJMESA-N 1 2 405.587 3.987 50 0 HHAALO O=C(NC1CCCCC1)c1coc(CN2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000034678104 557365944 /nfs/dbraw/zinc/36/59/44/557365944.db2.gz FOLOLJLGYGOQMA-UHFFFAOYSA-N 1 2 416.953 3.708 50 0 HHAALO CCCOc1ccc(N2C(=O)C[C@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000002864202 557411371 /nfs/dbraw/zinc/41/13/71/557411371.db2.gz PMIUOTLJNZGYEB-IBGZPJMESA-N 1 2 409.511 3.960 50 0 HHAALO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH+]1CCCC1 ZINC000004276594 557534979 /nfs/dbraw/zinc/53/49/79/557534979.db2.gz OELCMAXPWZPJQK-UHFFFAOYSA-N 1 2 418.515 3.643 50 0 HHAALO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1 ZINC000019774289 558280796 /nfs/dbraw/zinc/28/07/96/558280796.db2.gz QJXRQUHAKFJPMI-UHFFFAOYSA-N 1 2 412.519 3.829 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc2c1OCO2 ZINC000019781743 558281157 /nfs/dbraw/zinc/28/11/57/558281157.db2.gz DZFSVKWEJSWZAS-UHFFFAOYSA-N 1 2 419.319 3.504 50 0 HHAALO COc1cc(CN2CC[NH+](Cc3ccccc3Br)CC2)cc2c1OCO2 ZINC000019781743 558281158 /nfs/dbraw/zinc/28/11/58/558281158.db2.gz DZFSVKWEJSWZAS-UHFFFAOYSA-N 1 2 419.319 3.504 50 0 HHAALO COc1cc(-c2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)cc2c1OCO2 ZINC000019795242 558284360 /nfs/dbraw/zinc/28/43/60/558284360.db2.gz WRZPUXXJKPCQAL-MRXNPFEDSA-N 1 2 424.453 3.659 50 0 HHAALO COc1cc(-c2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)cc2c1OCO2 ZINC000019795242 558284361 /nfs/dbraw/zinc/28/43/61/558284361.db2.gz WRZPUXXJKPCQAL-MRXNPFEDSA-N 1 2 424.453 3.659 50 0 HHAALO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)cc1Br ZINC000019863549 558298549 /nfs/dbraw/zinc/29/85/49/558298549.db2.gz HBGSVVAYYCIPFJ-UHFFFAOYSA-N 1 2 423.376 3.572 50 0 HHAALO O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019882967 558301552 /nfs/dbraw/zinc/30/15/52/558301552.db2.gz QDFYIQQGHHEJGI-UHFFFAOYSA-N 1 2 408.523 3.985 50 0 HHAALO O=C1C[C@H](c2cccs2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000019899900 558304842 /nfs/dbraw/zinc/30/48/42/558304842.db2.gz SHUNLXGAGCXBFU-GOSISDBHSA-N 1 2 404.539 3.773 50 0 HHAALO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000019922509 558307432 /nfs/dbraw/zinc/30/74/32/558307432.db2.gz UIDNUMSOKQCYSH-UHFFFAOYSA-N 1 2 405.523 3.799 50 0 HHAALO COc1ccc(C(=O)N[C@@H](Nc2cccc[nH+]2)C(Cl)(Cl)Cl)cc1OC ZINC000019954772 558315018 /nfs/dbraw/zinc/31/50/18/558315018.db2.gz ZCLXNAVYGNNYNP-OAHLLOKOSA-N 1 2 404.681 3.637 50 0 HHAALO CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973802 558316876 /nfs/dbraw/zinc/31/68/76/558316876.db2.gz DNKCFIFHOSXMKJ-RDTXWAMCSA-N 1 2 411.329 3.651 50 0 HHAALO Cc1cc(C[N@@H+](C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)on1 ZINC000020110119 558335308 /nfs/dbraw/zinc/33/53/08/558335308.db2.gz MPAMVIUNGVRMPE-UHFFFAOYSA-N 1 2 403.486 3.535 50 0 HHAALO Cc1cc(C[N@H+](C)Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)on1 ZINC000020110119 558335310 /nfs/dbraw/zinc/33/53/10/558335310.db2.gz MPAMVIUNGVRMPE-UHFFFAOYSA-N 1 2 403.486 3.535 50 0 HHAALO O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020171186 558343598 /nfs/dbraw/zinc/34/35/98/558343598.db2.gz TWWJUFITMFVNJF-BJMVGYQFSA-N 1 2 415.946 3.699 50 0 aggregator HHAALO COC(=O)c1cc(C)sc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020344885 558356428 /nfs/dbraw/zinc/35/64/28/558356428.db2.gz XDFYTPJYWNEKRJ-RMKNXTFCSA-N 1 2 415.584 3.871 50 0 HHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cccc(C)c3n2)c(C)c1 ZINC000020357090 558357660 /nfs/dbraw/zinc/35/76/60/558357660.db2.gz JAGFALNHAGNTJP-UHFFFAOYSA-N 1 2 403.526 3.889 50 0 HHAALO Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)NCC[NH+]3CCOCC3)c2c1 ZINC000020407653 558360373 /nfs/dbraw/zinc/36/03/73/558360373.db2.gz ZBBZXJUGTRSXAM-UHFFFAOYSA-N 1 2 403.526 3.889 50 0 HHAALO Cn1cc[nH+]c1CN1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012307346 558375953 /nfs/dbraw/zinc/37/59/53/558375953.db2.gz GEYFVWKYAXRBHP-FQEVSTJZSA-N 1 2 400.486 3.567 50 0 HHAALO Cn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012315760 558379170 /nfs/dbraw/zinc/37/91/70/558379170.db2.gz HBJPENHMLHBIAF-IBGZPJMESA-N 1 2 417.469 3.903 50 0 HHAALO S=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020495058 558380231 /nfs/dbraw/zinc/38/02/31/558380231.db2.gz KLHCNTMMKSFSFB-UHFFFAOYSA-N 1 2 403.935 3.626 50 0 HHAALO O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317242 558380382 /nfs/dbraw/zinc/38/03/82/558380382.db2.gz GCLQEYLVXUWEGL-SFHVURJKSA-N 1 2 400.954 3.655 50 0 HHAALO O=C(CCc1n[nH]c2c1CCCC2)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012317242 558380385 /nfs/dbraw/zinc/38/03/85/558380385.db2.gz GCLQEYLVXUWEGL-SFHVURJKSA-N 1 2 400.954 3.655 50 0 HHAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2nccn2C)cc(OC)c1OC ZINC000012317727 558381157 /nfs/dbraw/zinc/38/11/57/558381157.db2.gz JGSGHOOJNRUFRF-KRWDZBQOSA-N 1 2 411.506 3.563 50 0 HHAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2nccn2C)cc(OC)c1OC ZINC000012317727 558381159 /nfs/dbraw/zinc/38/11/59/558381159.db2.gz JGSGHOOJNRUFRF-KRWDZBQOSA-N 1 2 411.506 3.563 50 0 HHAALO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020902307 558420404 /nfs/dbraw/zinc/42/04/04/558420404.db2.gz JGUIGLDOODKBCC-UHFFFAOYSA-N 1 2 415.493 3.799 50 0 HHAALO O=C(NCCCn1cnc2ccccc21)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022056096 558460072 /nfs/dbraw/zinc/46/00/72/558460072.db2.gz MRLNNYSDDOJALQ-UHFFFAOYSA-N 1 2 411.937 3.607 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000012788108 558463869 /nfs/dbraw/zinc/46/38/69/558463869.db2.gz JWOVHZPFWJGIQR-UHFFFAOYSA-N 1 2 420.340 3.960 50 0 HHAALO CSc1nc(C)c(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)n1 ZINC000022290041 558476552 /nfs/dbraw/zinc/47/65/52/558476552.db2.gz PDSKMUZIFXBKKJ-UHFFFAOYSA-N 1 2 405.593 3.829 50 0 HHAALO O=C(NCCSCc1c(F)cccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022364089 558483467 /nfs/dbraw/zinc/48/34/67/558483467.db2.gz YDRMHCIUPKBSHT-UHFFFAOYSA-N 1 2 422.953 3.975 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012978440 558492512 /nfs/dbraw/zinc/49/25/12/558492512.db2.gz BZERLZUQQZOWPP-UHFFFAOYSA-N 1 2 415.921 3.946 50 0 HHAALO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000022913822 558520866 /nfs/dbraw/zinc/52/08/66/558520866.db2.gz INBJZXFSTMIDRY-FQEVSTJZSA-N 1 2 409.603 3.799 50 0 HHAALO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000022913822 558520869 /nfs/dbraw/zinc/52/08/69/558520869.db2.gz INBJZXFSTMIDRY-FQEVSTJZSA-N 1 2 409.603 3.799 50 0 HHAALO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000022916677 558521672 /nfs/dbraw/zinc/52/16/72/558521672.db2.gz LPEPORMHZYNKGU-CYBMUJFWSA-N 1 2 413.852 3.679 50 0 HHAALO C[C@@H](Sc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC000022956596 558527750 /nfs/dbraw/zinc/52/77/50/558527750.db2.gz FSSBRARRPOPGNL-GOSISDBHSA-N 1 2 409.555 3.972 50 0 HHAALO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023873047 558578878 /nfs/dbraw/zinc/57/88/78/558578878.db2.gz RGZFWBZXUKQTDF-UHFFFAOYSA-N 1 2 414.505 3.754 50 0 HHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)sc2C1 ZINC000023936441 558581924 /nfs/dbraw/zinc/58/19/24/558581924.db2.gz SOUMDEVULIVLGW-IBGZPJMESA-N 1 2 419.506 3.838 50 0 HHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)sc2C1 ZINC000023936441 558581926 /nfs/dbraw/zinc/58/19/26/558581926.db2.gz SOUMDEVULIVLGW-IBGZPJMESA-N 1 2 419.506 3.838 50 0 HHAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCc2nc3ccccc3s2)CC1 ZINC000024082529 558587846 /nfs/dbraw/zinc/58/78/46/558587846.db2.gz OABKUCHSGRNPKM-UHFFFAOYSA-N 1 2 409.555 3.890 50 0 HHAALO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136580 558590154 /nfs/dbraw/zinc/59/01/54/558590154.db2.gz AGPWPAUMACWRGR-UHFFFAOYSA-N 1 2 406.457 3.979 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000014129417 558623901 /nfs/dbraw/zinc/62/39/01/558623901.db2.gz MNNKYMPQPCVPNM-IAGOWNOFSA-N 1 2 407.543 3.946 50 0 HHAALO O=C([C@H](c1ccccc1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCCCC1 ZINC000014139617 558624910 /nfs/dbraw/zinc/62/49/10/558624910.db2.gz FKJFCDONEULLFD-QHCPKHFHSA-N 1 2 418.541 3.720 50 0 HHAALO C[C@H](c1nnc(SCC(=O)N2CCC(C)CC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000025313775 558637464 /nfs/dbraw/zinc/63/74/64/558637464.db2.gz BMFALZWEKRPAQZ-OAHLLOKOSA-N 1 2 421.998 3.894 50 0 HHAALO CC(C)(C)c1ccc(OCCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000025435878 558640843 /nfs/dbraw/zinc/64/08/43/558640843.db2.gz IPUCCBDYWLUHTA-UHFFFAOYSA-N 1 2 424.541 3.826 50 0 HHAALO Cc1nc2ccccc2c(C)c1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000025638907 558646645 /nfs/dbraw/zinc/64/66/45/558646645.db2.gz UALXKWJPHKBXNY-UHFFFAOYSA-N 1 2 403.526 3.617 50 0 HHAALO CC(=O)N1CCc2cc(NC(=O)C[N@H+](Cc3ccco3)Cc3ccccc3)ccc21 ZINC000014248906 558649179 /nfs/dbraw/zinc/64/91/79/558649179.db2.gz UQPRSQLRMAGUSN-UHFFFAOYSA-N 1 2 403.482 3.830 50 0 HHAALO CC(=O)N1CCc2cc(NC(=O)C[N@@H+](Cc3ccco3)Cc3ccccc3)ccc21 ZINC000014248906 558649180 /nfs/dbraw/zinc/64/91/80/558649180.db2.gz UQPRSQLRMAGUSN-UHFFFAOYSA-N 1 2 403.482 3.830 50 0 HHAALO CC[C@@H](C(=O)Nc1cc(C)on1)N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000027366579 558672511 /nfs/dbraw/zinc/67/25/11/558672511.db2.gz RTCCRNBFHRJQSX-RDJZCZTQSA-N 1 2 413.547 3.689 50 0 HHAALO CC[C@H](C(=O)Nc1cc(C)on1)N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000027366583 558672610 /nfs/dbraw/zinc/67/26/10/558672610.db2.gz RTCCRNBFHRJQSX-NVXWUHKLSA-N 1 2 413.547 3.689 50 0 HHAALO Cc1c(C(=O)N2CC[NH+](C)CC2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000014975437 558688988 /nfs/dbraw/zinc/68/89/88/558688988.db2.gz PIDVXRSPYFPJPH-ZDUSSCGKSA-N 1 2 401.561 3.622 50 0 HHAALO COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)[NH+](C)C ZINC000028289069 558696047 /nfs/dbraw/zinc/69/60/47/558696047.db2.gz TUOMBIUYKRGLOV-KRWDZBQOSA-N 1 2 414.889 3.796 50 0 HHAALO O=C(NCc1nnc2ccccn21)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000028436574 558701152 /nfs/dbraw/zinc/70/11/52/558701152.db2.gz QBAMPTGQIDZYBW-UHFFFAOYSA-N 1 2 414.494 3.599 50 0 HHAALO COc1cc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc(OC)c1OC ZINC000028683092 558703768 /nfs/dbraw/zinc/70/37/68/558703768.db2.gz NGPAVBWITMLHGQ-AWEZNQCLSA-N 1 2 419.547 3.582 50 0 HHAALO COc1cc(CC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc(OC)c1OC ZINC000028683092 558703771 /nfs/dbraw/zinc/70/37/71/558703771.db2.gz NGPAVBWITMLHGQ-AWEZNQCLSA-N 1 2 419.547 3.582 50 0 HHAALO COc1ccccc1[C@@H](C)[N@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 ZINC000015071196 558713069 /nfs/dbraw/zinc/71/30/69/558713069.db2.gz RVAUWSVISNUKKO-CQSZACIVSA-N 1 2 413.474 3.964 50 0 HHAALO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(OC)c(OC)c2OC)no1 ZINC000015071196 558713071 /nfs/dbraw/zinc/71/30/71/558713071.db2.gz RVAUWSVISNUKKO-CQSZACIVSA-N 1 2 413.474 3.964 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000029594613 558717619 /nfs/dbraw/zinc/71/76/19/558717619.db2.gz NOGJHYPOQHCEKY-GFCCVEGCSA-N 1 2 400.363 3.904 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Br)cc1 ZINC000029594613 558717621 /nfs/dbraw/zinc/71/76/21/558717621.db2.gz NOGJHYPOQHCEKY-GFCCVEGCSA-N 1 2 400.363 3.904 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000029658312 558718397 /nfs/dbraw/zinc/71/83/97/558718397.db2.gz XAMOCXIFRATNMT-UHFFFAOYSA-N 1 2 407.558 3.683 50 0 HHAALO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cn1 ZINC000030180864 558727696 /nfs/dbraw/zinc/72/76/96/558727696.db2.gz XGOQCCAPLAGYFA-UHFFFAOYSA-N 1 2 400.935 3.760 50 0 HHAALO O=C(c1sc(-n2cccc2)nc1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000071280861 558763604 /nfs/dbraw/zinc/76/36/04/558763604.db2.gz DPGLTAPYUSMHHE-UHFFFAOYSA-N 1 2 415.522 3.958 50 0 HHAALO CCC[C@]1(c2ccccc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2Cl)C1=O ZINC000016046997 558770568 /nfs/dbraw/zinc/77/05/68/558770568.db2.gz NQUMAEAIVKSKPG-JOCHJYFZSA-N 1 2 415.921 3.856 50 0 HHAALO CCC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2Cl)C1=O ZINC000016046997 558770569 /nfs/dbraw/zinc/77/05/69/558770569.db2.gz NQUMAEAIVKSKPG-JOCHJYFZSA-N 1 2 415.921 3.856 50 0 HHAALO O=c1c2c(-c3ccccc3)csc2nc(SCC[NH+]2CCOCC2)n1C1CC1 ZINC000036646094 558800632 /nfs/dbraw/zinc/80/06/32/558800632.db2.gz OIRVGUAALXONRS-UHFFFAOYSA-N 1 2 413.568 3.884 50 0 HHAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000019228807 558853183 /nfs/dbraw/zinc/85/31/83/558853183.db2.gz DQOORDKSNTWECD-CQSZACIVSA-N 1 2 409.408 3.700 50 0 HHAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000019228807 558853185 /nfs/dbraw/zinc/85/31/85/558853185.db2.gz DQOORDKSNTWECD-CQSZACIVSA-N 1 2 409.408 3.700 50 0 HHAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000019228809 558853238 /nfs/dbraw/zinc/85/32/38/558853238.db2.gz DQOORDKSNTWECD-AWEZNQCLSA-N 1 2 409.408 3.700 50 0 HHAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000019228809 558853241 /nfs/dbraw/zinc/85/32/41/558853241.db2.gz DQOORDKSNTWECD-AWEZNQCLSA-N 1 2 409.408 3.700 50 0 HHAALO CCOc1ccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C(C)C)cc1OCC ZINC000060341520 558856600 /nfs/dbraw/zinc/85/66/00/558856600.db2.gz UGZBTAOFKLQISP-NRFANRHFSA-N 1 2 409.490 3.587 50 0 HHAALO O=C1[C@@H]2C[C@@H](CN2C2CC[NH+](CCc3ccccc3)CC2)N1c1ccccc1Cl ZINC000019300051 558866174 /nfs/dbraw/zinc/86/61/74/558866174.db2.gz MJOCJYDSXXOABU-REWPJTCUSA-N 1 2 409.961 3.837 50 0 HHAALO C[C@H](c1ccncn1)[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000055211716 558876250 /nfs/dbraw/zinc/87/62/50/558876250.db2.gz AIJYFKMQGTXXBQ-MRXNPFEDSA-N 1 2 412.563 3.785 50 0 HHAALO C[C@H](c1ccncn1)[N@@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000055211716 558876253 /nfs/dbraw/zinc/87/62/53/558876253.db2.gz AIJYFKMQGTXXBQ-MRXNPFEDSA-N 1 2 412.563 3.785 50 0 HHAALO CC[N@H+](CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1cccc(C)c1 ZINC000004669420 558877217 /nfs/dbraw/zinc/87/72/17/558877217.db2.gz CEMNAHPAEDDXBK-UHFFFAOYSA-N 1 2 418.541 3.560 50 0 HHAALO CC[N@@H+](CCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O)c1cccc(C)c1 ZINC000004669420 558877218 /nfs/dbraw/zinc/87/72/18/558877218.db2.gz CEMNAHPAEDDXBK-UHFFFAOYSA-N 1 2 418.541 3.560 50 0 HHAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+](C)Cc1cccnc1 ZINC000055255171 558877753 /nfs/dbraw/zinc/87/77/53/558877753.db2.gz HXKDGRKWFQMKAV-UHFFFAOYSA-N 1 2 419.554 3.738 50 0 HHAALO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+](C)Cc1cccnc1 ZINC000055255171 558877756 /nfs/dbraw/zinc/87/77/56/558877756.db2.gz HXKDGRKWFQMKAV-UHFFFAOYSA-N 1 2 419.554 3.738 50 0 HHAALO C[C@@]1(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)CCCC[C@H]1c1ccc(O)cc1 ZINC000055552700 558882341 /nfs/dbraw/zinc/88/23/41/558882341.db2.gz QJDUGJCDLGRUEZ-UKILVPOCSA-N 1 2 407.558 3.747 50 0 HHAALO COc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004626594 558891447 /nfs/dbraw/zinc/89/14/47/558891447.db2.gz ZHSMLOLRJYWPID-AWEZNQCLSA-N 1 2 405.907 3.882 50 0 HHAALO Cc1cc2nc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2cc1C ZINC000033140469 558892390 /nfs/dbraw/zinc/89/23/90/558892390.db2.gz JYIMNWZMPNFSTN-UHFFFAOYSA-N 1 2 416.447 3.881 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000058159086 558904205 /nfs/dbraw/zinc/90/42/05/558904205.db2.gz AQRHXIPMXGHEEQ-UHFFFAOYSA-N 1 2 423.847 3.731 50 0 HHAALO O=C(CCCc1nnc(-c2ccccc2)o1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000033226992 558913460 /nfs/dbraw/zinc/91/34/60/558913460.db2.gz HWKATLUIWPRHOT-UHFFFAOYSA-N 1 2 401.470 3.621 50 0 HHAALO Cc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000019684168 558957153 /nfs/dbraw/zinc/95/71/53/558957153.db2.gz RNTFHDGOMBZXDP-CQSZACIVSA-N 1 2 420.332 3.983 50 0 HHAALO Cc1cccc2c(C(=O)N(Cc3[nH+]ccn3C)C(C)C)cc(-c3cncnc3)nc12 ZINC000063884105 558961016 /nfs/dbraw/zinc/96/10/16/558961016.db2.gz ORBLAVWLNWCEDZ-UHFFFAOYSA-N 1 2 400.486 3.785 50 0 HHAALO C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022024852 558984978 /nfs/dbraw/zinc/98/49/78/558984978.db2.gz PNPCKPTUMOZQGZ-KRWDZBQOSA-N 1 2 408.527 3.562 50 0 HHAALO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000022025277 558985028 /nfs/dbraw/zinc/98/50/28/558985028.db2.gz XZIMEVJKYKVFTN-KRWDZBQOSA-N 1 2 406.486 3.653 50 0 HHAALO CCc1cccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)c1 ZINC000067603534 558988055 /nfs/dbraw/zinc/98/80/55/558988055.db2.gz ACRLVGWUWZYTHP-UHFFFAOYSA-N 1 2 419.533 3.504 50 0 HHAALO Cc1c[nH]c(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)[nH+]1 ZINC000077504680 559007526 /nfs/dbraw/zinc/00/75/26/559007526.db2.gz NSFKZMXCXHLHHN-UHFFFAOYSA-N 1 2 407.518 3.680 50 0 HHAALO COCc1cc(C)nc(N[NH+]=Cc2ccc(N(C)C)c(Br)c2)c1C#N ZINC000004750653 559048960 /nfs/dbraw/zinc/04/89/60/559048960.db2.gz CDPSDYVBEGPWRF-UHFFFAOYSA-N 1 2 402.296 3.683 50 0 HHAALO CCOC(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000023791059 559181151 /nfs/dbraw/zinc/18/11/51/559181151.db2.gz QTHQIPQVTBFTNA-UHFFFAOYSA-N 1 2 401.894 3.866 50 0 HHAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000033664977 559226566 /nfs/dbraw/zinc/22/65/66/559226566.db2.gz FVAXNXRDRWNGTG-UHFFFAOYSA-N 1 2 400.526 3.955 50 0 HHAALO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000050931109 559281398 /nfs/dbraw/zinc/28/13/98/559281398.db2.gz CEKYGTIJWAWANM-UHFFFAOYSA-N 1 2 407.470 3.584 50 0 HHAALO CC(C)OC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Br)cc1 ZINC000005528804 560605238 /nfs/dbraw/zinc/60/52/38/560605238.db2.gz LMRWNHPZSXFHJT-UHFFFAOYSA-N 1 2 407.293 3.622 50 0 HHAALO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000022907215 568415879 /nfs/dbraw/zinc/41/58/79/568415879.db2.gz WKGAYGXQUNGNEA-NRFANRHFSA-N 1 2 414.502 3.805 50 0 HHAALO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)ccc1F ZINC000022907215 568415881 /nfs/dbraw/zinc/41/58/81/568415881.db2.gz WKGAYGXQUNGNEA-NRFANRHFSA-N 1 2 414.502 3.805 50 0 HHAALO O=S(=O)(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907929 568416021 /nfs/dbraw/zinc/41/60/21/568416021.db2.gz LUFBROQLIMZPCE-HXUWFJFHSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907929 568416022 /nfs/dbraw/zinc/41/60/22/568416022.db2.gz LUFBROQLIMZPCE-HXUWFJFHSA-N 1 2 416.543 3.965 50 0 HHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022907480 568416105 /nfs/dbraw/zinc/41/61/05/568416105.db2.gz DNJMZWDXRFHAAS-HXUWFJFHSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022907480 568416107 /nfs/dbraw/zinc/41/61/07/568416107.db2.gz DNJMZWDXRFHAAS-HXUWFJFHSA-N 1 2 423.900 3.787 50 0 HHAALO Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1 ZINC000048366150 568441915 /nfs/dbraw/zinc/44/19/15/568441915.db2.gz CORKVUTUGSOALL-HXUWFJFHSA-N 1 2 422.504 3.749 50 0 HHAALO COc1ccc(-c2nc(C)c(C(=O)NCc3cn4ccccc4[nH+]3)s2)cc1OC ZINC000007775813 568484493 /nfs/dbraw/zinc/48/44/93/568484493.db2.gz SHHUTVUDYSVUKC-UHFFFAOYSA-N 1 2 408.483 3.713 50 0 HHAALO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCOCC1)Cc1ccccn1 ZINC000020107926 568588526 /nfs/dbraw/zinc/58/85/26/568588526.db2.gz UTNQYOIPXIKXPN-UHFFFAOYSA-N 1 2 404.967 3.656 50 0 HHAALO C[C@@H]1C[NH+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C[C@@H](C)O1 ZINC000020151795 568590663 /nfs/dbraw/zinc/59/06/63/568590663.db2.gz YOKVGVGIMYWKOI-VXGBXAGGSA-N 1 2 407.337 3.830 50 0 HHAALO COc1ccc(NC(=O)O[C@H](C[NH+]2CCN(c3ccccc3)CC2)C(F)(F)F)cc1 ZINC000020219009 568595002 /nfs/dbraw/zinc/59/50/02/568595002.db2.gz DDOZUZJJCJMVRK-LJQANCHMSA-N 1 2 423.435 3.997 50 0 HHAALO C[C@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288944 568597847 /nfs/dbraw/zinc/59/78/47/568597847.db2.gz LENHHZAUIWTXAM-HTAPYJJXSA-N 1 2 424.545 3.964 50 0 HHAALO C[C@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020288696 568597943 /nfs/dbraw/zinc/59/79/43/568597943.db2.gz CXPFBDGNSOFFAZ-WMZHIEFXSA-N 1 2 420.582 3.821 50 0 HHAALO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccn1 ZINC000225423495 568636663 /nfs/dbraw/zinc/63/66/63/568636663.db2.gz QWKIHISUOHGTNA-XMMPIXPASA-N 1 2 419.481 3.881 50 0 HHAALO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccn1 ZINC000225423453 568636685 /nfs/dbraw/zinc/63/66/85/568636685.db2.gz QWKIHISUOHGTNA-DEOSSOPVSA-N 1 2 419.481 3.881 50 0 HHAALO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3CCOCC3)c(C)c2O)cc1 ZINC000020622826 568638254 /nfs/dbraw/zinc/63/82/54/568638254.db2.gz BBFKNKJBMOFTJH-UHFFFAOYSA-N 1 2 423.513 3.786 50 0 HHAALO CCN(CC)c1ccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1 ZINC000225799275 568675785 /nfs/dbraw/zinc/67/57/85/568675785.db2.gz SZJVGKCCKYWXCK-NRFANRHFSA-N 1 2 411.550 3.502 50 0 HHAALO CCN(CC)c1ccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1 ZINC000225799275 568675787 /nfs/dbraw/zinc/67/57/87/568675787.db2.gz SZJVGKCCKYWXCK-NRFANRHFSA-N 1 2 411.550 3.502 50 0 HHAALO CC[C@@H](C(=O)N1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1)c1ccccc1 ZINC000021173310 568676735 /nfs/dbraw/zinc/67/67/35/568676735.db2.gz OXYNFNFFUIREPM-OAQYLSRUSA-N 1 2 404.510 3.939 50 0 HHAALO C[C@@H](NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000021602241 568723076 /nfs/dbraw/zinc/72/30/76/568723076.db2.gz RUEUOMMXQVOUKE-CQSZACIVSA-N 1 2 407.474 3.924 50 0 HHAALO O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000096305431 568723291 /nfs/dbraw/zinc/72/32/91/568723291.db2.gz JESCYYVSXDLIMF-UHFFFAOYSA-N 1 2 416.525 3.616 50 0 HHAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)C3CC3)CC2)c1 ZINC000096317496 568726919 /nfs/dbraw/zinc/72/69/19/568726919.db2.gz ZXMADJWIUQFIEC-UHFFFAOYSA-N 1 2 406.574 3.941 50 0 HHAALO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1F ZINC000238950616 568727570 /nfs/dbraw/zinc/72/75/70/568727570.db2.gz YZCSIIBTITZEQU-OAHLLOKOSA-N 1 2 409.285 3.853 50 0 HHAALO CC(C)Oc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000242263284 568732270 /nfs/dbraw/zinc/73/22/70/568732270.db2.gz XXQSKZKSZFYNOW-FPOVZHCZSA-N 1 2 423.557 3.624 50 0 HHAALO COc1cccc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(C)cc4)n3)CC2)c1 ZINC000021724137 568750984 /nfs/dbraw/zinc/75/09/84/568750984.db2.gz DTEGTHSBHVWGQN-UHFFFAOYSA-N 1 2 406.486 3.904 50 0 HHAALO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724567 568751211 /nfs/dbraw/zinc/75/12/11/568751211.db2.gz ZAGPKBTUZOFPOU-SFHVURJKSA-N 1 2 406.486 3.904 50 0 HHAALO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724567 568751212 /nfs/dbraw/zinc/75/12/12/568751212.db2.gz ZAGPKBTUZOFPOU-SFHVURJKSA-N 1 2 406.486 3.904 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(C)ccc4O)C3)no2)cc1 ZINC000021724695 568751312 /nfs/dbraw/zinc/75/13/12/568751312.db2.gz MNGAGFPQTRNTKW-SFHVURJKSA-N 1 2 406.486 3.910 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4cc(C)ccc4O)C3)no2)cc1 ZINC000021724695 568751314 /nfs/dbraw/zinc/75/13/14/568751314.db2.gz MNGAGFPQTRNTKW-SFHVURJKSA-N 1 2 406.486 3.910 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000056945812 568821807 /nfs/dbraw/zinc/82/18/07/568821807.db2.gz ITXOXRCQUXWSMK-OAQYLSRUSA-N 1 2 411.452 3.851 50 0 HHAALO Cc1cccc(COc2coc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2=O)c1 ZINC000056949868 568822002 /nfs/dbraw/zinc/82/20/02/568822002.db2.gz DFRICWXJWVIDNQ-UHFFFAOYSA-N 1 2 408.473 3.989 50 0 HHAALO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415599 568833937 /nfs/dbraw/zinc/83/39/37/568833937.db2.gz PKNGLIIRYVTMQO-OAQYLSRUSA-N 1 2 411.477 3.519 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000057415599 568833938 /nfs/dbraw/zinc/83/39/38/568833938.db2.gz PKNGLIIRYVTMQO-OAQYLSRUSA-N 1 2 411.477 3.519 50 0 HHAALO COc1ccc(OCCCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc1 ZINC000012547247 568850805 /nfs/dbraw/zinc/85/08/05/568850805.db2.gz BMERLRCGOUFLDK-QFIPXVFZSA-N 1 2 409.486 3.502 50 0 HHAALO CC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012556822 568855833 /nfs/dbraw/zinc/85/58/33/568855833.db2.gz NYMJQDOWUPTBCO-LJQANCHMSA-N 1 2 417.918 3.686 50 0 HHAALO COc1cc2ccccc2cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000012614871 568872003 /nfs/dbraw/zinc/87/20/03/568872003.db2.gz HWNZJZPRZVWGAF-UHFFFAOYSA-N 1 2 417.509 3.681 50 0 HHAALO CC(=O)c1c(C)[nH]c(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1C ZINC000003550337 568914602 /nfs/dbraw/zinc/91/46/02/568914602.db2.gz RIOZKMOABVDIRN-UHFFFAOYSA-N 1 2 405.483 3.938 50 0 HHAALO Cc1cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1Br ZINC000058846822 568930262 /nfs/dbraw/zinc/93/02/62/568930262.db2.gz GPSVCTRZTDXFPU-UHFFFAOYSA-N 1 2 418.335 3.986 50 0 HHAALO O=C(c1cc(Br)ccc1-n1cccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000031809035 568931795 /nfs/dbraw/zinc/93/17/95/568931795.db2.gz LHNIVAQIRSLRHT-UHFFFAOYSA-N 1 2 411.303 3.597 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012747228 568933079 /nfs/dbraw/zinc/93/30/79/568933079.db2.gz BKYJTTKQCIMOBY-QFIPXVFZSA-N 1 2 405.523 3.694 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012747228 568933080 /nfs/dbraw/zinc/93/30/80/568933080.db2.gz BKYJTTKQCIMOBY-QFIPXVFZSA-N 1 2 405.523 3.694 50 0 HHAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000025924303 568938973 /nfs/dbraw/zinc/93/89/73/568938973.db2.gz WWAHTWCPSMIKHY-UHFFFAOYSA-N 1 2 406.505 3.747 50 0 HHAALO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)c1C ZINC000025925096 568939015 /nfs/dbraw/zinc/93/90/15/568939015.db2.gz KJFCAKUUQVYWLR-UHFFFAOYSA-N 1 2 406.505 3.747 50 0 HHAALO Cc1nc(-n2nc(C)c(Cc3ccc(C)cc3)c2C)sc1C(=O)N1CC[NH+](C)CC1 ZINC000015669189 568960856 /nfs/dbraw/zinc/96/08/56/568960856.db2.gz HWNCPRGFYXFIQH-UHFFFAOYSA-N 1 2 423.586 3.541 50 0 HHAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1CCc2ccccc2C1 ZINC000008130227 568975201 /nfs/dbraw/zinc/97/52/01/568975201.db2.gz NADDFSPBUQUNNU-INIZCTEOSA-N 1 2 415.522 3.881 50 0 HHAALO Cc1noc(C)c1COc1ccc(CC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000008164173 568979390 /nfs/dbraw/zinc/97/93/90/568979390.db2.gz VWJJTRHJIAHWQU-UHFFFAOYSA-N 1 2 418.497 3.887 50 0 HHAALO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000012807280 568979817 /nfs/dbraw/zinc/97/98/17/568979817.db2.gz DJBZXTZIQYXNKJ-VWLOTQADSA-N 1 2 400.522 3.913 50 0 HHAALO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000012807280 568979818 /nfs/dbraw/zinc/97/98/18/568979818.db2.gz DJBZXTZIQYXNKJ-VWLOTQADSA-N 1 2 400.522 3.913 50 0 HHAALO Fc1cccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1 ZINC000015779693 569001967 /nfs/dbraw/zinc/00/19/67/569001967.db2.gz PZBYWQWHQBNVMK-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO Fc1cccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1 ZINC000015779693 569001969 /nfs/dbraw/zinc/00/19/69/569001969.db2.gz PZBYWQWHQBNVMK-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000035804747 569060526 /nfs/dbraw/zinc/06/05/26/569060526.db2.gz BLIBMJBXWOMEPO-OYHNWAKOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000035804747 569060527 /nfs/dbraw/zinc/06/05/27/569060527.db2.gz BLIBMJBXWOMEPO-OYHNWAKOSA-N 1 2 415.509 3.650 50 0 HHAALO CCc1nc2sc3c(c2c(N2CCN(c4ccccc4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035892932 569065081 /nfs/dbraw/zinc/06/50/81/569065081.db2.gz FWSASHFWUBIQFL-UHFFFAOYSA-N 1 2 407.587 3.958 50 0 HHAALO CCc1nc2sc3c(c2c(N2CCN(c4ccccc4)CC2)n1)CC[N@H+](CC)C3 ZINC000035892932 569065082 /nfs/dbraw/zinc/06/50/82/569065082.db2.gz FWSASHFWUBIQFL-UHFFFAOYSA-N 1 2 407.587 3.958 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690060 569070616 /nfs/dbraw/zinc/07/06/16/569070616.db2.gz GSVMYPGTTWPJRD-ACJLOTCBSA-N 1 2 416.547 3.897 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690060 569070617 /nfs/dbraw/zinc/07/06/17/569070617.db2.gz GSVMYPGTTWPJRD-ACJLOTCBSA-N 1 2 416.547 3.897 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCCc3cccnc3)csc2C1 ZINC000426734149 569074100 /nfs/dbraw/zinc/07/41/00/569074100.db2.gz 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CC(C)CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036254568 569120143 /nfs/dbraw/zinc/12/01/43/569120143.db2.gz JXVUCYVWJKVWCI-OAQYLSRUSA-N 1 2 419.997 3.819 50 0 HHAALO Cc1cccc(N2CC[NH+](Cc3nc(-c4ccc(N5CCCC5)nc4)no3)CC2)c1C ZINC000065215875 569197655 /nfs/dbraw/zinc/19/76/55/569197655.db2.gz MZDHHXGLFKOMHB-UHFFFAOYSA-N 1 2 418.545 3.671 50 0 HHAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)cn2)cc1 ZINC000065239930 569203613 /nfs/dbraw/zinc/20/36/13/569203613.db2.gz FUPFZFRZBDRPNP-MRXNPFEDSA-N 1 2 406.490 3.550 50 0 HHAALO COc1cccc([C@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245342 569205179 /nfs/dbraw/zinc/20/51/79/569205179.db2.gz GDFKQDULDXYJQJ-ROUUACIJSA-N 1 2 423.561 3.934 50 0 HHAALO COc1cccc([C@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245342 569205180 /nfs/dbraw/zinc/20/51/80/569205180.db2.gz GDFKQDULDXYJQJ-ROUUACIJSA-N 1 2 423.561 3.934 50 0 HHAALO O=S(=O)(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000036700372 569222808 /nfs/dbraw/zinc/22/28/08/569222808.db2.gz CCIYRCFZMRTXIS-DEOSSOPVSA-N 1 2 424.566 3.972 50 0 HHAALO O=S(=O)(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000036700372 569222809 /nfs/dbraw/zinc/22/28/09/569222809.db2.gz CCIYRCFZMRTXIS-DEOSSOPVSA-N 1 2 424.566 3.972 50 0 HHAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700438 569222885 /nfs/dbraw/zinc/22/28/85/569222885.db2.gz ZPKCFEPKCZHEIC-HXUWFJFHSA-N 1 2 422.978 3.780 50 0 HHAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700438 569222886 /nfs/dbraw/zinc/22/28/86/569222886.db2.gz ZPKCFEPKCZHEIC-HXUWFJFHSA-N 1 2 422.978 3.780 50 0 HHAALO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620777 569238601 /nfs/dbraw/zinc/23/86/01/569238601.db2.gz QZTMUVVKRMBAAV-IFXJQAMLSA-N 1 2 402.441 3.675 50 0 HHAALO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620777 569238602 /nfs/dbraw/zinc/23/86/02/569238602.db2.gz 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Cc1cc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1OC(C)C ZINC000078948051 569421899 /nfs/dbraw/zinc/42/18/99/569421899.db2.gz CBUDPYSIQFLYFZ-FQEVSTJZSA-N 1 2 420.513 3.554 50 0 HHAALO Cc1cc2[nH+]cn(C[C@@H](NC(=O)CCn3c(=O)oc4ccccc43)C3CC3)c2cc1C ZINC000079045637 569425215 /nfs/dbraw/zinc/42/52/15/569425215.db2.gz DYOXAYQENZGECS-LJQANCHMSA-N 1 2 418.497 3.546 50 0 HHAALO CC1(C)C[NH+]=C(N2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)S1 ZINC000079064573 569426353 /nfs/dbraw/zinc/42/63/53/569426353.db2.gz CGLUBNBCZBZVMZ-UHFFFAOYSA-N 1 2 401.561 3.841 50 0 HHAALO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777797 571118199 /nfs/dbraw/zinc/11/81/99/571118199.db2.gz FVGURTNJRHWURG-FZKQIMNGSA-N 1 2 418.400 3.689 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1ccc(Br)s1)c1[nH+]ccn1C ZINC000040013286 571138357 /nfs/dbraw/zinc/13/83/57/571138357.db2.gz BXKOAFNGBVADJP-OAHLLOKOSA-N 1 2 406.305 3.772 50 0 HHAALO O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000069878311 571248027 /nfs/dbraw/zinc/24/80/27/571248027.db2.gz YKVCHWNWVFJROS-NRFANRHFSA-N 1 2 423.565 3.697 50 0 HHAALO O=C(Nc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1)C1CC1 ZINC000009513542 571264468 /nfs/dbraw/zinc/26/44/68/571264468.db2.gz UVPMZBLEFRPSMV-UHFFFAOYSA-N 1 2 402.433 3.915 50 0 HHAALO O=C(CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)NCc1ccc(F)cc1 ZINC000009712898 571281378 /nfs/dbraw/zinc/28/13/78/571281378.db2.gz NMTRAOZPGAGONP-UHFFFAOYSA-N 1 2 419.485 3.877 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000010127565 571295308 /nfs/dbraw/zinc/29/53/08/571295308.db2.gz LMSXZBMBBCYBCB-CYBMUJFWSA-N 1 2 424.419 3.988 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000010127565 571295309 /nfs/dbraw/zinc/29/53/09/571295309.db2.gz LMSXZBMBBCYBCB-CYBMUJFWSA-N 1 2 424.419 3.988 50 0 HHAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000019956692 963376210 /nfs/dbraw/zinc/37/62/10/963376210.db2.gz XAOTWLAZZLEMFS-UHFFFAOYSA-N 1 2 406.534 3.508 50 0 HHAALO CCNC(=O)COc1ccc(-c2csc3ccccc32)cc1C[NH+]1CCOCC1 ZINC000020913661 963403007 /nfs/dbraw/zinc/40/30/07/963403007.db2.gz XOSFDJOGVMUAIT-UHFFFAOYSA-N 1 2 410.539 3.915 50 0 HHAALO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022039747 963583080 /nfs/dbraw/zinc/58/30/80/963583080.db2.gz BTOXUBIUNBFOGO-YHGQHHLJSA-N 1 2 403.570 3.900 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1N1CCCC1 ZINC000022809085 963720537 /nfs/dbraw/zinc/72/05/37/963720537.db2.gz HYUYDAJQKAYDPC-DHZHZOJOSA-N 1 2 404.558 3.556 50 0 HHAALO COc1cc(/C=C\C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000033675663 966411591 /nfs/dbraw/zinc/41/15/91/966411591.db2.gz NQWZIDKIORFANC-GRHXWORQSA-N 1 2 422.525 3.583 50 0 HHAALO Cc1c[nH+]c(-c2cccnc2)n1CCC1CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC000257187031 970622345 /nfs/dbraw/zinc/62/23/45/970622345.db2.gz LFHLQTUOJNNDBK-UHFFFAOYSA-N 1 2 406.534 3.546 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@H]1Cc3ccccc3C[N@H+]1C)O2 ZINC000299769929 970722219 /nfs/dbraw/zinc/72/22/19/970722219.db2.gz YIVDNKAQTBALAB-XZOQPEGZSA-N 1 2 413.521 3.533 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@H]1Cc3ccccc3C[N@@H+]1C)O2 ZINC000299769929 970722224 /nfs/dbraw/zinc/72/22/24/970722224.db2.gz YIVDNKAQTBALAB-XZOQPEGZSA-N 1 2 413.521 3.533 50 0 HHAALO Cc1cc(N2CCOCC2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)[nH+]1 ZINC000004393727 132276213 /nfs/dbraw/zinc/27/62/13/132276213.db2.gz KZLVEEWOPGIJLU-UHFFFAOYSA-N 1 2 413.330 3.659 50 0 HHAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000004844650 132290570 /nfs/dbraw/zinc/29/05/70/132290570.db2.gz MPIGMUOCQLDNCP-XMMPIXPASA-N 1 2 411.505 3.808 50 0 HHAALO COc1ccc2nc3sc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3cc2c1 ZINC000004900631 132292188 /nfs/dbraw/zinc/29/21/88/132292188.db2.gz NVOYTWMOTJEDOG-UHFFFAOYSA-N 1 2 404.495 3.816 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1ccc(N3CCCCC3)cc1)CC2 ZINC000006507925 132311268 /nfs/dbraw/zinc/31/12/68/132311268.db2.gz ILOPUKNTLPQRTG-UHFFFAOYSA-N 1 2 409.530 3.691 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1ccc(N3CCCCC3)cc1)CC2 ZINC000006507925 132311270 /nfs/dbraw/zinc/31/12/70/132311270.db2.gz ILOPUKNTLPQRTG-UHFFFAOYSA-N 1 2 409.530 3.691 50 0 HHAALO Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000006933395 132321097 /nfs/dbraw/zinc/32/10/97/132321097.db2.gz JZFYBJLAKHIWKY-UHFFFAOYSA-N 1 2 404.489 3.786 50 0 HHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCN(c3ccc(F)cc3)CC1)S2 ZINC000023156822 132478606 /nfs/dbraw/zinc/47/86/06/132478606.db2.gz UBTBTGDZIGJSJE-IBGZPJMESA-N 1 2 423.517 3.856 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727055 518211418 /nfs/dbraw/zinc/21/14/18/518211418.db2.gz IDFNNJUZUWUVHU-QPXUXIHVSA-N 1 2 408.457 3.944 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727055 518211424 /nfs/dbraw/zinc/21/14/24/518211424.db2.gz IDFNNJUZUWUVHU-QPXUXIHVSA-N 1 2 408.457 3.944 50 0 HHAALO COc1cc(OC)cc([C@@H](NC(=O)c2ccccc2C(F)(F)F)c2[nH+]ccn2C)c1 ZINC000032843493 522878866 /nfs/dbraw/zinc/87/88/66/522878866.db2.gz GFDMMUKMZLZYIN-GOSISDBHSA-N 1 2 419.403 3.976 50 0 HHAALO COc1cc2c(cc1OC)CN(c1[nH+]cnc3c1cnn3-c1ccc(F)cc1)CC2 ZINC000032871415 523034539 /nfs/dbraw/zinc/03/45/39/523034539.db2.gz AXEGTYUXWRFAFT-UHFFFAOYSA-N 1 2 405.433 3.535 50 0 HHAALO COc1ccc(-c2coc3cc(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1 ZINC000020591512 523157145 /nfs/dbraw/zinc/15/71/45/523157145.db2.gz QWKILACOWHAAGS-IAGOWNOFSA-N 1 2 409.482 3.957 50 0 biogenic HHAALO CCc1[nH]c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000032772760 523661457 /nfs/dbraw/zinc/66/14/57/523661457.db2.gz BRPTVZQEEPVRLI-GOSISDBHSA-N 1 2 414.893 3.578 50 0 HHAALO C[N@@H+]1CCc2nc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)sc2C1 ZINC000032784702 524002360 /nfs/dbraw/zinc/00/23/60/524002360.db2.gz OISVYOQLOIAPCT-UHFFFAOYSA-N 1 2 406.511 3.885 50 0 HHAALO C[N@H+]1CCc2nc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)sc2C1 ZINC000032784702 524002366 /nfs/dbraw/zinc/00/23/66/524002366.db2.gz OISVYOQLOIAPCT-UHFFFAOYSA-N 1 2 406.511 3.885 50 0 HHAALO COc1ccccc1[C@H](NC(=O)NCc1coc(-c2cccs2)n1)c1[nH+]ccn1C ZINC000032802549 524795682 /nfs/dbraw/zinc/79/56/82/524795682.db2.gz ZJJZAOWQCHRIAR-SFHVURJKSA-N 1 2 423.498 3.734 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032759672 524914850 /nfs/dbraw/zinc/91/48/50/524914850.db2.gz UHUXTFMNIYTFRI-LJQANCHMSA-N 1 2 409.935 3.968 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032759672 524914860 /nfs/dbraw/zinc/91/48/60/524914860.db2.gz UHUXTFMNIYTFRI-LJQANCHMSA-N 1 2 409.935 3.968 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000029631895 525079708 /nfs/dbraw/zinc/07/97/08/525079708.db2.gz JCWGWAADTYJFEB-KRWDZBQOSA-N 1 2 415.969 3.561 50 0 HHAALO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000032665058 525106202 /nfs/dbraw/zinc/10/62/02/525106202.db2.gz JHWCVNBKSPZWKP-MRXNPFEDSA-N 1 2 406.357 3.988 50 0 HHAALO C[C@@H](NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000032665058 525106209 /nfs/dbraw/zinc/10/62/09/525106209.db2.gz JHWCVNBKSPZWKP-MRXNPFEDSA-N 1 2 406.357 3.988 50 0 HHAALO Cc1ccc(-c2nc(C(=O)N[C@@H](C[NH+]3CCOCC3)c3ccc(C)cc3)cs2)o1 ZINC000032725354 525799874 /nfs/dbraw/zinc/79/98/74/525799874.db2.gz SGBZVDYTGVRIET-SFHVURJKSA-N 1 2 411.527 3.823 50 0 HHAALO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000032637781 525932499 /nfs/dbraw/zinc/93/24/99/525932499.db2.gz RAWHTCDLJQSBOO-CYBMUJFWSA-N 1 2 422.298 3.667 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000043151171 526256524 /nfs/dbraw/zinc/25/65/24/526256524.db2.gz YUOIRBBLTKYSQJ-HSZRJFAPSA-N 1 2 404.558 3.762 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000043151171 526256528 /nfs/dbraw/zinc/25/65/28/526256528.db2.gz YUOIRBBLTKYSQJ-HSZRJFAPSA-N 1 2 404.558 3.762 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCc1ccccc1OC(F)(F)F ZINC000025056308 526726236 /nfs/dbraw/zinc/72/62/36/526726236.db2.gz ODNSDLHGXBTUKB-UHFFFAOYSA-N 1 2 420.431 3.796 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000024865051 526956168 /nfs/dbraw/zinc/95/61/68/526956168.db2.gz XSXYRAUHGOIZCA-GOSISDBHSA-N 1 2 409.313 3.562 50 0 HHAALO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000001142109 535467674 /nfs/dbraw/zinc/46/76/74/535467674.db2.gz JWMGAPYNWOHIEK-HNNXBMFYSA-N 1 2 412.925 3.554 50 0 HHAALO CCOC(=O)CCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022634624 557305832 /nfs/dbraw/zinc/30/58/32/557305832.db2.gz NCXKWHNYWUPZQF-QHCPKHFHSA-N 1 2 414.933 3.917 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034857360 557477633 /nfs/dbraw/zinc/47/76/33/557477633.db2.gz BQGAENVQJVTDKC-HXUWFJFHSA-N 1 2 400.494 3.715 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034857360 557477635 /nfs/dbraw/zinc/47/76/35/557477635.db2.gz BQGAENVQJVTDKC-HXUWFJFHSA-N 1 2 400.494 3.715 50 0 HHAALO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000008744677 557804666 /nfs/dbraw/zinc/80/46/66/557804666.db2.gz CNKHVJHEVBDNDP-UHFFFAOYSA-N 1 2 413.905 3.981 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCCCC1)S2 ZINC000022853150 557840043 /nfs/dbraw/zinc/84/00/43/557840043.db2.gz IUQKGIDKOBVNIN-QGZVFWFLSA-N 1 2 402.520 3.651 50 0 HHAALO Cc1c([C@H](C)NC(=O)C2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccccc1C ZINC000019782219 558281495 /nfs/dbraw/zinc/28/14/95/558281495.db2.gz YXFOPPOYZLMLKH-IBGZPJMESA-N 1 2 410.562 3.701 50 0 HHAALO Cn1cc[nH+]c1CN1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000011818508 558281882 /nfs/dbraw/zinc/28/18/82/558281882.db2.gz QBTIGCFMCWDSPV-IBGZPJMESA-N 1 2 401.470 3.831 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1C ZINC000019790907 558282402 /nfs/dbraw/zinc/28/24/02/558282402.db2.gz IDSPXTPRHQLSJC-NRFANRHFSA-N 1 2 400.588 3.794 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1C ZINC000019790907 558282405 /nfs/dbraw/zinc/28/24/05/558282405.db2.gz IDSPXTPRHQLSJC-NRFANRHFSA-N 1 2 400.588 3.794 50 0 HHAALO O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000019791362 558282807 /nfs/dbraw/zinc/28/28/07/558282807.db2.gz RDZNZWCRUXMGAK-MRXNPFEDSA-N 1 2 416.428 3.813 50 0 HHAALO CC(C)n1c(SCC[NH+]2CCOCC2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000019797099 558284529 /nfs/dbraw/zinc/28/45/29/558284529.db2.gz BRQIUQHACDQQJJ-AWEZNQCLSA-N 1 2 407.605 3.588 50 0 HHAALO O=C1Nc2ccc(Br)cc2[C@]12[NH2+]CCc1c3cc(Cl)ccc3[nH]c12 ZINC000019899735 558304740 /nfs/dbraw/zinc/30/47/40/558304740.db2.gz XSOBSQCNNGDVAV-GOSISDBHSA-N 1 2 402.679 3.925 50 0 biogenic HHAALO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[NH+]1CCOCC1 ZINC000019910717 558306384 /nfs/dbraw/zinc/30/63/84/558306384.db2.gz IVVTYJWBIJOMGI-UHFFFAOYSA-N 1 2 402.516 3.561 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@H]1c1ccccc1 ZINC000020206843 558346711 /nfs/dbraw/zinc/34/67/11/558346711.db2.gz QMGOQBMPMWYBNH-FQEVSTJZSA-N 1 2 413.424 3.661 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@H]1c1ccccc1 ZINC000020206843 558346713 /nfs/dbraw/zinc/34/67/13/558346713.db2.gz QMGOQBMPMWYBNH-FQEVSTJZSA-N 1 2 413.424 3.661 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000020358222 558357924 /nfs/dbraw/zinc/35/79/24/558357924.db2.gz GCIIWUBBVMUQAL-MHTWAQMVSA-N 1 2 406.869 3.753 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000020358222 558357927 /nfs/dbraw/zinc/35/79/27/558357927.db2.gz GCIIWUBBVMUQAL-MHTWAQMVSA-N 1 2 406.869 3.753 50 0 HHAALO COc1c(C)c[nH+]c(CSc2nc3c(nc[nH]c3=O)n2-c2ccc(C)cc2)c1C ZINC000020394358 558359675 /nfs/dbraw/zinc/35/96/75/558359675.db2.gz MRQLPRXFWBYYFX-UHFFFAOYSA-N 1 2 407.499 3.730 50 0 HHAALO CCCCn1c(CN(C)Cc2[nH]cc(C)[nH+]2)cnc1S(=O)(=O)CCCC(C)C ZINC000012302156 558371762 /nfs/dbraw/zinc/37/17/62/558371762.db2.gz RMJPLCIDQQNIRJ-UHFFFAOYSA-N 1 2 409.600 3.557 50 0 HHAALO C[C@H]1CCCN(c2nc3nnnn3c3sc4c(c32)CC[N@@H+](Cc2ccccc2)C4)C1 ZINC000020503885 558381442 /nfs/dbraw/zinc/38/14/42/558381442.db2.gz TYYFZRLJBSVHIY-HNNXBMFYSA-N 1 2 419.558 3.529 50 0 HHAALO C[C@H]1CCCN(c2nc3nnnn3c3sc4c(c32)CC[N@H+](Cc2ccccc2)C4)C1 ZINC000020503885 558381446 /nfs/dbraw/zinc/38/14/46/558381446.db2.gz TYYFZRLJBSVHIY-HNNXBMFYSA-N 1 2 419.558 3.529 50 0 HHAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000020533846 558385245 /nfs/dbraw/zinc/38/52/45/558385245.db2.gz YQQBSNKQYWIJNG-UHFFFAOYSA-N 1 2 401.919 3.679 50 0 HHAALO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccccc1F ZINC000020534042 558385603 /nfs/dbraw/zinc/38/56/03/558385603.db2.gz QKUQDEBZDPRMRI-SFHVURJKSA-N 1 2 409.486 3.947 50 0 HHAALO CCCCc1nc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c[nH]1 ZINC000012429697 558404454 /nfs/dbraw/zinc/40/44/54/558404454.db2.gz XNPUIAOMOBSQDR-UHFFFAOYSA-N 1 2 420.561 3.967 50 0 HHAALO CCCCc1ncc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)[nH]1 ZINC000012429697 558404456 /nfs/dbraw/zinc/40/44/56/558404456.db2.gz XNPUIAOMOBSQDR-UHFFFAOYSA-N 1 2 420.561 3.967 50 0 HHAALO COc1ccc2[nH]c(CCNC(=O)c3cc(COc4ccc(C)c(C)c4)on3)[nH+]c2c1 ZINC000012446373 558414227 /nfs/dbraw/zinc/41/42/27/558414227.db2.gz KCCOLLNMJFHOSE-UHFFFAOYSA-N 1 2 420.469 3.728 50 0 HHAALO O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)C[N@H+](Cc1ccccc1)CC3 ZINC000020813432 558416454 /nfs/dbraw/zinc/41/64/54/558416454.db2.gz IPDYSGGPEPANDZ-UHFFFAOYSA-N 1 2 413.506 3.653 50 0 HHAALO O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000020813432 558416456 /nfs/dbraw/zinc/41/64/56/558416456.db2.gz IPDYSGGPEPANDZ-UHFFFAOYSA-N 1 2 413.506 3.653 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021317792 558435589 /nfs/dbraw/zinc/43/55/89/558435589.db2.gz OMRPTXZNALNJBG-SJKOYZFVSA-N 1 2 423.460 3.974 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021317792 558435591 /nfs/dbraw/zinc/43/55/91/558435591.db2.gz OMRPTXZNALNJBG-SJKOYZFVSA-N 1 2 423.460 3.974 50 0 HHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012792160 558466266 /nfs/dbraw/zinc/46/62/66/558466266.db2.gz SUAHPMVUMVRPLI-INIZCTEOSA-N 1 2 401.942 3.711 50 0 HHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)c(OC)c1OC ZINC000012795902 558468859 /nfs/dbraw/zinc/46/88/59/558468859.db2.gz NJRISLPAJYQVRG-UHFFFAOYSA-N 1 2 423.307 3.545 50 0 HHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)c(OC)c1OC ZINC000012795902 558468863 /nfs/dbraw/zinc/46/88/63/558468863.db2.gz NJRISLPAJYQVRG-UHFFFAOYSA-N 1 2 423.307 3.545 50 0 HHAALO COc1ccc(CCN(C)c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1OC ZINC000012797869 558470071 /nfs/dbraw/zinc/47/00/71/558470071.db2.gz OVVWZMILCXNGSW-UHFFFAOYSA-N 1 2 407.449 3.651 50 0 HHAALO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cs1 ZINC000012994355 558497919 /nfs/dbraw/zinc/49/79/19/558497919.db2.gz MSSWQYZJAJQHBI-UHFFFAOYSA-N 1 2 409.511 3.993 50 0 HHAALO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cs1 ZINC000012994355 558497920 /nfs/dbraw/zinc/49/79/20/558497920.db2.gz MSSWQYZJAJQHBI-UHFFFAOYSA-N 1 2 409.511 3.993 50 0 HHAALO CC(=O)N1CCc2cc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)ccc21 ZINC000022749917 558507272 /nfs/dbraw/zinc/50/72/72/558507272.db2.gz KYMMFIJPAJXFMA-FQEVSTJZSA-N 1 2 408.889 3.502 50 0 HHAALO Cc1ccc([C@H](CNC(=O)c2ccccc2Br)[NH+]2CCOCC2)cc1 ZINC000023105857 558534346 /nfs/dbraw/zinc/53/43/46/558534346.db2.gz ZZAJXZKFDLBDTN-IBGZPJMESA-N 1 2 403.320 3.561 50 0 HHAALO Cc1ccc(C[N@@H+]2CCN(Cc3nc(-c4cccs4)oc3C)C[C@@H]2CCO)o1 ZINC000023360759 558552297 /nfs/dbraw/zinc/55/22/97/558552297.db2.gz FKHUTDAGDSTDAC-KRWDZBQOSA-N 1 2 401.532 3.682 50 0 HHAALO Cc1ccc(C[N@H+]2CCN(Cc3nc(-c4cccs4)oc3C)C[C@@H]2CCO)o1 ZINC000023360759 558552300 /nfs/dbraw/zinc/55/23/00/558552300.db2.gz FKHUTDAGDSTDAC-KRWDZBQOSA-N 1 2 401.532 3.682 50 0 HHAALO C[N@@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2C1 ZINC000023508499 558560486 /nfs/dbraw/zinc/56/04/86/558560486.db2.gz WJRBFIXTYWWMIA-UHFFFAOYSA-N 1 2 416.510 3.631 50 0 HHAALO C[N@H+]1CCc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2C1 ZINC000023508499 558560490 /nfs/dbraw/zinc/56/04/90/558560490.db2.gz WJRBFIXTYWWMIA-UHFFFAOYSA-N 1 2 416.510 3.631 50 0 HHAALO C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000023846286 558577731 /nfs/dbraw/zinc/57/77/31/558577731.db2.gz PHBTYBBPMFTJOR-FQEVSTJZSA-N 1 2 400.526 3.748 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023956213 558582443 /nfs/dbraw/zinc/58/24/43/558582443.db2.gz JWMRGIYMGSBVLF-UHFFFAOYSA-N 1 2 419.554 3.553 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(C2CC2)nc2ccccc21 ZINC000024031799 558585317 /nfs/dbraw/zinc/58/53/17/558585317.db2.gz DUNVEQHMHQNEFY-UHFFFAOYSA-N 1 2 401.510 3.874 50 0 HHAALO Fc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+]2CCOCC2)cc1 ZINC000024102736 558589195 /nfs/dbraw/zinc/58/91/95/558589195.db2.gz MELOEPPGQSHZBX-UHFFFAOYSA-N 1 2 417.488 3.971 50 0 HHAALO COc1cc(C)c(C[NH+]2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1OC ZINC000024601930 558602353 /nfs/dbraw/zinc/60/23/53/558602353.db2.gz XQGOHYBHZSKVBC-UHFFFAOYSA-N 1 2 421.541 3.771 50 0 HHAALO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1[nH+]cc2ccccn21 ZINC000024902849 558619747 /nfs/dbraw/zinc/61/97/47/558619747.db2.gz RZBUJWBNOPYDDP-UHFFFAOYSA-N 1 2 422.432 3.542 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000014185190 558630225 /nfs/dbraw/zinc/63/02/25/558630225.db2.gz QMACZNZXHXEWHP-UHFFFAOYSA-N 1 2 408.420 3.681 50 0 HHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000025176313 558633655 /nfs/dbraw/zinc/63/36/55/558633655.db2.gz GZNZJUHRQHAIFA-UHFFFAOYSA-N 1 2 421.478 3.751 50 0 HHAALO CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2)C1=O ZINC000014201242 558636781 /nfs/dbraw/zinc/63/67/81/558636781.db2.gz JBIDBMVYGQHWQP-QHCPKHFHSA-N 1 2 413.493 3.731 50 0 HHAALO CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2)C1=O ZINC000014201242 558636784 /nfs/dbraw/zinc/63/67/84/558636784.db2.gz JBIDBMVYGQHWQP-QHCPKHFHSA-N 1 2 413.493 3.731 50 0 HHAALO COc1ccccc1[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1[nH+]ccn1C ZINC000025519527 558642710 /nfs/dbraw/zinc/64/27/10/558642710.db2.gz KJUJJVMKSVJAOV-NRFANRHFSA-N 1 2 401.470 3.508 50 0 HHAALO COC(=O)c1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000025920526 558652314 /nfs/dbraw/zinc/65/23/14/558652314.db2.gz PQECBNYBAHWNQN-NSHDSACASA-N 1 2 400.353 3.596 50 0 HHAALO COC(=O)c1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000025920526 558652317 /nfs/dbraw/zinc/65/23/17/558652317.db2.gz PQECBNYBAHWNQN-NSHDSACASA-N 1 2 400.353 3.596 50 0 HHAALO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026458807 558661505 /nfs/dbraw/zinc/66/15/05/558661505.db2.gz MLFYVUANGHUFOU-QGZVFWFLSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026458807 558661507 /nfs/dbraw/zinc/66/15/07/558661507.db2.gz MLFYVUANGHUFOU-QGZVFWFLSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026604282 558663574 /nfs/dbraw/zinc/66/35/74/558663574.db2.gz LJTWYCFEFQQWDW-KRWDZBQOSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026604282 558663576 /nfs/dbraw/zinc/66/35/76/558663576.db2.gz LJTWYCFEFQQWDW-KRWDZBQOSA-N 1 2 417.296 3.604 50 0 HHAALO CCc1cc2c(C[NH+]3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc(=O)oc2cc1O ZINC000015032805 558703655 /nfs/dbraw/zinc/70/36/55/558703655.db2.gz JLPSDRRQFGIOPC-UHFFFAOYSA-N 1 2 422.529 3.605 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C[N@H+](Cc3ccco3)Cc3ccccc3)CC2)c1 ZINC000028966074 558708025 /nfs/dbraw/zinc/70/80/25/558708025.db2.gz OZVLQHGVKSNJDS-UHFFFAOYSA-N 1 2 403.526 3.939 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C[N@@H+](Cc3ccco3)Cc3ccccc3)CC2)c1 ZINC000028966074 558708029 /nfs/dbraw/zinc/70/80/29/558708029.db2.gz OZVLQHGVKSNJDS-UHFFFAOYSA-N 1 2 403.526 3.939 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000029734739 558719674 /nfs/dbraw/zinc/71/96/74/558719674.db2.gz BGHITMLGLMLSCJ-QHCPKHFHSA-N 1 2 416.525 3.701 50 0 HHAALO CCOC(=O)C1C(C[N@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000030630775 558734675 /nfs/dbraw/zinc/73/46/75/558734675.db2.gz SLPZFQQFNGFSQQ-QHCPKHFHSA-N 1 2 417.509 3.647 50 0 HHAALO CCOC(=O)C1C(C[N@@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000030630775 558734677 /nfs/dbraw/zinc/73/46/77/558734677.db2.gz SLPZFQQFNGFSQQ-QHCPKHFHSA-N 1 2 417.509 3.647 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000030630775 558734679 /nfs/dbraw/zinc/73/46/79/558734679.db2.gz SLPZFQQFNGFSQQ-QHCPKHFHSA-N 1 2 417.509 3.647 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000030630775 558734681 /nfs/dbraw/zinc/73/46/81/558734681.db2.gz SLPZFQQFNGFSQQ-QHCPKHFHSA-N 1 2 417.509 3.647 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015524442 558742328 /nfs/dbraw/zinc/74/23/28/558742328.db2.gz ZYDLISHMRKGLPI-HNNXBMFYSA-N 1 2 417.912 3.835 50 0 HHAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000015880898 558760407 /nfs/dbraw/zinc/76/04/07/558760407.db2.gz WDBNDHWYRCXOIO-UHFFFAOYSA-N 1 2 402.477 3.898 50 0 HHAALO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2nncc3ccccc32)CC1)c1ccccc1 ZINC000072308384 558770475 /nfs/dbraw/zinc/77/04/75/558770475.db2.gz BNNIEAKQEISTSH-WMZHIEFXSA-N 1 2 417.557 3.798 50 0 HHAALO OCCN1CC[NH+](CCO[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000038629964 558813232 /nfs/dbraw/zinc/81/32/32/558813232.db2.gz ZAAWVPYDNUHLJE-FQEVSTJZSA-N 1 2 418.990 3.715 50 0 HHAALO CC(C)c1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000018220286 558834028 /nfs/dbraw/zinc/83/40/28/558834028.db2.gz LPDABNNEEHCTGA-UHFFFAOYSA-N 1 2 418.335 3.695 50 0 HHAALO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+](Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000019228517 558852936 /nfs/dbraw/zinc/85/29/36/558852936.db2.gz JSGYRFBCEMWHMA-IBGZPJMESA-N 1 2 410.905 3.979 50 0 HHAALO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+](Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000019228517 558852937 /nfs/dbraw/zinc/85/29/37/558852937.db2.gz JSGYRFBCEMWHMA-IBGZPJMESA-N 1 2 410.905 3.979 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000022185513 558864160 /nfs/dbraw/zinc/86/41/60/558864160.db2.gz PBHHBTRXMPVQEG-GOSISDBHSA-N 1 2 417.431 3.714 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000022185513 558864162 /nfs/dbraw/zinc/86/41/62/558864162.db2.gz PBHHBTRXMPVQEG-GOSISDBHSA-N 1 2 417.431 3.714 50 0 HHAALO O=C(c1cnc(N2CCCCC2)c2ccccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000033073161 558867336 /nfs/dbraw/zinc/86/73/36/558867336.db2.gz ZXWXIZPKHGCBJI-UHFFFAOYSA-N 1 2 401.514 3.583 50 0 HHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cc(C)ccc2C(=O)OC)CC1 ZINC000033106491 558874231 /nfs/dbraw/zinc/87/42/31/558874231.db2.gz XWCKUDVQFDYXDR-UHFFFAOYSA-N 1 2 421.501 3.505 50 0 HHAALO COc1cccc(-c2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)c1OC ZINC000055342581 558879586 /nfs/dbraw/zinc/87/95/86/558879586.db2.gz SDMGBNZBONYADI-INIZCTEOSA-N 1 2 410.470 3.939 50 0 HHAALO COc1cccc(-c2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)c1OC ZINC000055342581 558879592 /nfs/dbraw/zinc/87/95/92/558879592.db2.gz SDMGBNZBONYADI-INIZCTEOSA-N 1 2 410.470 3.939 50 0 HHAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055386231 558880863 /nfs/dbraw/zinc/88/08/63/558880863.db2.gz ZTSUBZBMRJIWIP-UHFFFAOYSA-N 1 2 403.408 3.781 50 0 HHAALO Cn1cc[nH+]c1-c1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000055403723 558881045 /nfs/dbraw/zinc/88/10/45/558881045.db2.gz LQKGJAYDTHAEHR-UHFFFAOYSA-N 1 2 424.504 3.723 50 0 HHAALO Nc1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc(Nc2ccccc2)n1 ZINC000058145995 558902020 /nfs/dbraw/zinc/90/20/20/558902020.db2.gz KWWAGZYPSQZBHY-GOSISDBHSA-N 1 2 418.501 3.696 50 0 HHAALO Nc1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc(Nc2ccccc2)n1 ZINC000058145995 558902024 /nfs/dbraw/zinc/90/20/24/558902024.db2.gz KWWAGZYPSQZBHY-GOSISDBHSA-N 1 2 418.501 3.696 50 0 HHAALO Cc1ccc(Nc2nc(N)nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000058158081 558903652 /nfs/dbraw/zinc/90/36/52/558903652.db2.gz PJUVCCMJQFULFC-SFHVURJKSA-N 1 2 418.501 3.614 50 0 HHAALO Cc1ccc(Nc2nc(N)nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000058158081 558903653 /nfs/dbraw/zinc/90/36/53/558903653.db2.gz PJUVCCMJQFULFC-SFHVURJKSA-N 1 2 418.501 3.614 50 0 HHAALO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1)Nc1ccccc1 ZINC000058315691 558919413 /nfs/dbraw/zinc/91/94/13/558919413.db2.gz DROHMPNDEXXKLE-FQEVSTJZSA-N 1 2 405.502 3.837 50 0 HHAALO O=C(NC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1)Nc1ccccc1 ZINC000058315691 558919416 /nfs/dbraw/zinc/91/94/16/558919416.db2.gz DROHMPNDEXXKLE-FQEVSTJZSA-N 1 2 405.502 3.837 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cnc(C)nc2)nc2ccc(C)cc21 ZINC000063872463 558960445 /nfs/dbraw/zinc/96/04/45/558960445.db2.gz MXBPZTYLNBRGCF-UHFFFAOYSA-N 1 2 400.486 3.704 50 0 HHAALO COc1ccc(C)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc21 ZINC000022997880 558982092 /nfs/dbraw/zinc/98/20/92/558982092.db2.gz UVTHIEFRVPYSCD-UHFFFAOYSA-N 1 2 415.515 3.575 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000043732600 558990566 /nfs/dbraw/zinc/99/05/66/558990566.db2.gz QRCJOEJTOCDGEJ-JLGINSKQSA-N 1 2 419.431 3.736 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000043732600 558990567 /nfs/dbraw/zinc/99/05/67/558990567.db2.gz QRCJOEJTOCDGEJ-JLGINSKQSA-N 1 2 419.431 3.736 50 0 HHAALO O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000097080471 558990691 /nfs/dbraw/zinc/99/06/91/558990691.db2.gz SZHZNUWMKYRAPR-QFIPXVFZSA-N 1 2 408.452 3.529 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000096833092 558993656 /nfs/dbraw/zinc/99/36/56/558993656.db2.gz VDQRNUAYDMAWBT-NSHDSACASA-N 1 2 417.884 3.964 50 0 HHAALO Cc1ccc(OCC(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106502 559010128 /nfs/dbraw/zinc/01/01/28/559010128.db2.gz YCPPJGZRBOSGGY-DEOSSOPVSA-N 1 2 404.510 3.717 50 0 HHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCN(c3ccc(F)cc3)CC1)S2 ZINC000023156824 559022681 /nfs/dbraw/zinc/02/26/81/559022681.db2.gz UBTBTGDZIGJSJE-LJQANCHMSA-N 1 2 423.517 3.856 50 0 HHAALO CCOC(=O)C[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC(C)C ZINC000004826488 559155490 /nfs/dbraw/zinc/15/54/90/559155490.db2.gz PPGNSTOIQHFEIN-UHFFFAOYSA-N 1 2 414.546 3.680 50 0 HHAALO CCOC(=O)C[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)CC(C)C ZINC000004826488 559155491 /nfs/dbraw/zinc/15/54/91/559155491.db2.gz PPGNSTOIQHFEIN-UHFFFAOYSA-N 1 2 414.546 3.680 50 0 HHAALO O=C(c1csc(-c2ccc(F)cc2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000014246263 559161875 /nfs/dbraw/zinc/16/18/75/559161875.db2.gz QDPULPQWIDECGR-UHFFFAOYSA-N 1 2 411.502 3.786 50 0 HHAALO Cc1cc(C)c(NC(=O)CN2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)c(C)c1 ZINC000011695770 559188938 /nfs/dbraw/zinc/18/89/38/559188938.db2.gz DWYFBKWMQPEGIM-UHFFFAOYSA-N 1 2 421.520 3.697 50 0 HHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011935940 559268738 /nfs/dbraw/zinc/26/87/38/559268738.db2.gz RHTDVDHNLFJGBR-KRWDZBQOSA-N 1 2 404.470 3.565 50 0 HHAALO C[C@@H]1C[N@@H+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C[C@H](C)O1 ZINC000017247021 560704803 /nfs/dbraw/zinc/70/48/03/560704803.db2.gz YOKVGVGIMYWKOI-TXEJJXNPSA-N 1 2 407.337 3.830 50 0 HHAALO C[C@@H]1C[N@H+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C[C@H](C)O1 ZINC000017247021 560704804 /nfs/dbraw/zinc/70/48/04/560704804.db2.gz YOKVGVGIMYWKOI-TXEJJXNPSA-N 1 2 407.337 3.830 50 0 HHAALO Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)[nH+]c3)cc2c1 ZINC000046651815 560736713 /nfs/dbraw/zinc/73/67/13/560736713.db2.gz CRWFVNVLEWPVIU-IRXDYDNUSA-N 1 2 404.514 3.790 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000011436515 560772167 /nfs/dbraw/zinc/77/21/67/560772167.db2.gz NJLOEZPZNXZULV-QGZVFWFLSA-N 1 2 418.515 3.718 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000011436515 560772169 /nfs/dbraw/zinc/77/21/69/560772169.db2.gz NJLOEZPZNXZULV-QGZVFWFLSA-N 1 2 418.515 3.718 50 0 HHAALO Cn1cccc1-c1noc(C2CC[NH+](Cc3noc(-c4ccccc4F)n3)CC2)n1 ZINC000583648912 560779097 /nfs/dbraw/zinc/77/90/97/560779097.db2.gz DHEAIXXHCVABKT-UHFFFAOYSA-N 1 2 408.437 3.644 50 0 HHAALO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000022907211 568415766 /nfs/dbraw/zinc/41/57/66/568415766.db2.gz WKGAYGXQUNGNEA-OAQYLSRUSA-N 1 2 414.502 3.805 50 0 HHAALO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)ccc1F ZINC000022907211 568415767 /nfs/dbraw/zinc/41/57/67/568415767.db2.gz WKGAYGXQUNGNEA-OAQYLSRUSA-N 1 2 414.502 3.805 50 0 HHAALO COc1ccc2c(C)cc(N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)[nH+]c2c1 ZINC000048309563 568436525 /nfs/dbraw/zinc/43/65/25/568436525.db2.gz XOQVIDBNNOPHBU-UHFFFAOYSA-N 1 2 418.541 3.929 50 0 HHAALO CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2OCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000048368910 568442273 /nfs/dbraw/zinc/44/22/73/568442273.db2.gz MXZFBRDEHBAEGW-SFHVURJKSA-N 1 2 421.497 3.637 50 0 HHAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)[nH+]cn3)cn2)cc1Cl ZINC000049411224 568450076 /nfs/dbraw/zinc/45/00/76/568450076.db2.gz LOIHIZMWMSQWDW-UHFFFAOYSA-N 1 2 412.881 3.567 50 0 HHAALO Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000033874836 568523789 /nfs/dbraw/zinc/52/37/89/568523789.db2.gz KFXXZJNEZHXQEF-RCCKNPSSSA-N 1 2 422.916 3.822 50 0 HHAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccccc2OC)CC1 ZINC000020107832 568588384 /nfs/dbraw/zinc/58/83/84/568588384.db2.gz SUCOLTIGZQZRSY-UHFFFAOYSA-N 1 2 416.591 3.515 50 0 HHAALO Cc1cccn2c(C[NH+]3CCN(c4ccccc4)CC3)c(C(=O)N3CCCCC3)nc12 ZINC000020201904 568594237 /nfs/dbraw/zinc/59/42/37/568594237.db2.gz LZVLVVGIYCMFGN-UHFFFAOYSA-N 1 2 417.557 3.591 50 0 HHAALO C[C@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288955 568597815 /nfs/dbraw/zinc/59/78/15/568597815.db2.gz QVEZYQBOPLHRBW-HTAPYJJXSA-N 1 2 424.545 3.964 50 0 HHAALO O=S(=O)(C1=Cc2ccccc2CC1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000095465296 568623391 /nfs/dbraw/zinc/62/33/91/568623391.db2.gz BYVOEXPUFDOMJU-UHFFFAOYSA-N 1 2 419.550 3.801 50 0 HHAALO CCOc1cc2[nH]c(=S)n(CC[N@@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000020644599 568639074 /nfs/dbraw/zinc/63/90/74/568639074.db2.gz DIWHXHHRBNIPKP-HNNXBMFYSA-N 1 2 405.564 3.747 50 0 HHAALO CCOc1cc2[nH]c(=S)n(CC[N@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000020644599 568639076 /nfs/dbraw/zinc/63/90/76/568639076.db2.gz DIWHXHHRBNIPKP-HNNXBMFYSA-N 1 2 405.564 3.747 50 0 HHAALO O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CC[NH+](C2CCCC2)CC1 ZINC000021017103 568657566 /nfs/dbraw/zinc/65/75/66/568657566.db2.gz UEYSPUPYAROHAW-UHFFFAOYSA-N 1 2 403.324 3.540 50 0 HHAALO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000095961697 568670053 /nfs/dbraw/zinc/67/00/53/568670053.db2.gz VVRFAVWSGLSDIK-INIZCTEOSA-N 1 2 407.417 3.895 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000021153615 568672938 /nfs/dbraw/zinc/67/29/38/568672938.db2.gz AXXCIXVZUDZOAZ-HSZRJFAPSA-N 1 2 423.582 3.720 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000021153615 568672940 /nfs/dbraw/zinc/67/29/40/568672940.db2.gz AXXCIXVZUDZOAZ-HSZRJFAPSA-N 1 2 423.582 3.720 50 0 HHAALO COc1cc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000095990277 568677870 /nfs/dbraw/zinc/67/78/70/568677870.db2.gz UMZYJBSUJZCGNQ-UHFFFAOYSA-N 1 2 421.501 3.961 50 0 HHAALO COc1cc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)cc(OC)c1OC ZINC000095990277 568677872 /nfs/dbraw/zinc/67/78/72/568677872.db2.gz UMZYJBSUJZCGNQ-UHFFFAOYSA-N 1 2 421.501 3.961 50 0 HHAALO Cc1ccn2cc(C(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)nc2c1 ZINC000012393217 568696368 /nfs/dbraw/zinc/69/63/68/568696368.db2.gz ZXEIEOZQLAZPLY-UHFFFAOYSA-N 1 2 402.420 3.620 50 0 HHAALO Cc1ccc(Cl)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccno3)nc21 ZINC000012443836 568725093 /nfs/dbraw/zinc/72/50/93/568725093.db2.gz JLGDOQQQXZWTDI-UHFFFAOYSA-N 1 2 420.922 3.615 50 0 HHAALO O=C(CCc1ccc2[nH]c(-c3ccccc3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096363672 568739515 /nfs/dbraw/zinc/73/95/15/568739515.db2.gz HAGIEIFLKLEFSD-UHFFFAOYSA-N 1 2 411.509 3.906 50 0 HHAALO O=C(CCc1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096363672 568739516 /nfs/dbraw/zinc/73/95/16/568739516.db2.gz HAGIEIFLKLEFSD-UHFFFAOYSA-N 1 2 411.509 3.906 50 0 HHAALO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794439 568753373 /nfs/dbraw/zinc/75/33/73/568753373.db2.gz QPQCEVZLQNFKTE-UHFFFAOYSA-N 1 2 403.486 3.926 50 0 HHAALO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794464 568753549 /nfs/dbraw/zinc/75/35/49/568753549.db2.gz FJOCNFJKKCPUCW-UHFFFAOYSA-N 1 2 419.485 3.626 50 0 HHAALO Cc1ccc([C@@H](C2Sc3ncnn3C2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022609306 568771795 /nfs/dbraw/zinc/77/17/95/568771795.db2.gz AMAUOCFOYSGVFB-IBGZPJMESA-N 1 2 423.517 3.856 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000028875567 568812153 /nfs/dbraw/zinc/81/21/53/568812153.db2.gz YBMXFEOBCNATAO-QGZVFWFLSA-N 1 2 417.296 3.562 50 0 HHAALO CCN(C=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000261490868 568820020 /nfs/dbraw/zinc/82/00/20/568820020.db2.gz LJZKLFZUXCEXDO-HXUWFJFHSA-N 1 2 406.530 3.536 50 0 HHAALO CCN(C=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000261490868 568820022 /nfs/dbraw/zinc/82/00/22/568820022.db2.gz LJZKLFZUXCEXDO-HXUWFJFHSA-N 1 2 406.530 3.536 50 0 HHAALO Cc1cccc(N2CC[NH+](CC(=O)N3CCc4[nH]c5ccc(F)cc5c4C3)CC2)c1C ZINC000057054104 568823715 /nfs/dbraw/zinc/82/37/15/568823715.db2.gz RFBZPXOQIHTDKN-UHFFFAOYSA-N 1 2 420.532 3.631 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1F ZINC000012507132 568839458 /nfs/dbraw/zinc/83/94/58/568839458.db2.gz UKYOABLCLYOWRG-SFHVURJKSA-N 1 2 418.266 3.606 50 0 HHAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 ZINC000012545416 568850219 /nfs/dbraw/zinc/85/02/19/568850219.db2.gz XZOWMBFNNIDSDX-QGZVFWFLSA-N 1 2 407.436 3.863 50 0 HHAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 ZINC000012545416 568850221 /nfs/dbraw/zinc/85/02/21/568850221.db2.gz XZOWMBFNNIDSDX-QGZVFWFLSA-N 1 2 407.436 3.863 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012548215 568851340 /nfs/dbraw/zinc/85/13/40/568851340.db2.gz IGWAEVZDAJNKAQ-OAQYLSRUSA-N 1 2 407.905 3.891 50 0 HHAALO Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000012551124 568853103 /nfs/dbraw/zinc/85/31/03/568853103.db2.gz CQZGJCLYTVWPLQ-AWEZNQCLSA-N 1 2 420.332 3.983 50 0 HHAALO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000057561384 568853814 /nfs/dbraw/zinc/85/38/14/568853814.db2.gz ZLSQEDCXIJCSDG-QGZVFWFLSA-N 1 2 401.938 3.738 50 0 HHAALO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@H+](C)Cc1cccc(OC)c1 ZINC000003584018 568863808 /nfs/dbraw/zinc/86/38/08/568863808.db2.gz HVWDQSJFSAPFIG-UHFFFAOYSA-N 1 2 418.515 3.515 50 0 HHAALO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000003584018 568863809 /nfs/dbraw/zinc/86/38/09/568863809.db2.gz HVWDQSJFSAPFIG-UHFFFAOYSA-N 1 2 418.515 3.515 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000012602069 568870198 /nfs/dbraw/zinc/87/01/98/568870198.db2.gz WZPUGZWRBPEFAK-GOSISDBHSA-N 1 2 418.266 3.606 50 0 HHAALO COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(F)cc2F)c2[nH+]ccn2C)c1 ZINC000012604484 568870780 /nfs/dbraw/zinc/87/07/80/568870780.db2.gz LJWASDZYZRRFBZ-GOSISDBHSA-N 1 2 402.401 3.627 50 0 HHAALO Cc1cccn2cc(CN3CCN(C(=O)c4ccc(CC(C)C)cc4)CCC3=O)[nH+]c12 ZINC000299794975 568876271 /nfs/dbraw/zinc/87/62/71/568876271.db2.gz KJDVWENJLKVEDI-UHFFFAOYSA-N 1 2 418.541 3.716 50 0 HHAALO COC(=O)c1cn(CC2(Cc3[nH]c4ccccc4[nH+]3)CCCCC2)cc2c(=O)[nH]nc1-2 ZINC000263587004 568881929 /nfs/dbraw/zinc/88/19/29/568881929.db2.gz AZPFHAYJOPZSCN-UHFFFAOYSA-N 1 2 419.485 3.532 50 0 HHAALO CCc1nnc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1C ZINC000083834261 568918027 /nfs/dbraw/zinc/91/80/27/568918027.db2.gz PJXKYLQJFPDQAB-INIZCTEOSA-N 1 2 411.579 3.797 50 0 HHAALO Cc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3C[NH+]3CCOCC3)s2)o1 ZINC000031217974 568919643 /nfs/dbraw/zinc/91/96/43/568919643.db2.gz QPKNFTGNGZLSJN-UHFFFAOYSA-N 1 2 411.527 3.782 50 0 HHAALO O=S(=O)(N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000084581820 568951283 /nfs/dbraw/zinc/95/12/83/568951283.db2.gz RUTAJIICDUPOKV-RBUKOAKNSA-N 1 2 405.882 3.883 50 0 HHAALO CNC(=O)c1cc(C(=O)c2ccc3[nH]c(Nc4ccc(Cl)cc4)[nH+]c3c2)ccn1 ZINC000085393782 568984688 /nfs/dbraw/zinc/98/46/88/568984688.db2.gz HWTARYSBOFGSPG-UHFFFAOYSA-N 1 2 405.845 3.946 50 0 HHAALO CNC(=O)c1cc(C(=O)c2ccc3[nH+]c(Nc4ccc(Cl)cc4)[nH]c3c2)ccn1 ZINC000085393782 568984689 /nfs/dbraw/zinc/98/46/89/568984689.db2.gz HWTARYSBOFGSPG-UHFFFAOYSA-N 1 2 405.845 3.946 50 0 HHAALO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012824858 569009077 /nfs/dbraw/zinc/00/90/77/569009077.db2.gz BMVQQXHBBWTTJV-QFIPXVFZSA-N 1 2 411.525 3.867 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@@H]([C@@H](C)CC)[NH2+]C12CCN(C(=S)Nc1ccc(F)cc1)CC2 ZINC000253389988 569009926 /nfs/dbraw/zinc/00/99/26/569009926.db2.gz HZJRUVLRAICOKQ-FRQCXROJSA-N 1 2 420.598 3.960 50 0 HHAALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1OC ZINC000015880217 569018004 /nfs/dbraw/zinc/01/80/04/569018004.db2.gz HCVKQQFPOFQPJZ-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1OC ZINC000015880217 569018005 /nfs/dbraw/zinc/01/80/05/569018005.db2.gz HCVKQQFPOFQPJZ-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO Cc1sc2nc(C[NH+]3CCCCC3)nc(Sc3nnnn3C3CC3)c2c1C ZINC000012924312 569023555 /nfs/dbraw/zinc/02/35/55/569023555.db2.gz YSDWPPPCNUFDRA-UHFFFAOYSA-N 1 2 401.565 3.767 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCCCOC(C)C)CC3)cn2)cc1C ZINC000035403588 569035606 /nfs/dbraw/zinc/03/56/06/569035606.db2.gz HIQAWDDTVLBJJH-UHFFFAOYSA-N 1 2 410.562 3.510 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCCCOC(C)C)CC3)cn2)cc1C ZINC000035403588 569035607 /nfs/dbraw/zinc/03/56/07/569035607.db2.gz HIQAWDDTVLBJJH-UHFFFAOYSA-N 1 2 410.562 3.510 50 0 HHAALO CSc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404332 569035769 /nfs/dbraw/zinc/03/57/69/569035769.db2.gz IGJBVIGBMYCNMK-UHFFFAOYSA-N 1 2 418.566 4.000 50 0 HHAALO CSc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404332 569035770 /nfs/dbraw/zinc/03/57/70/569035770.db2.gz IGJBVIGBMYCNMK-UHFFFAOYSA-N 1 2 418.566 4.000 50 0 HHAALO Cc1ccccc1CNC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000035404530 569035775 /nfs/dbraw/zinc/03/57/75/569035775.db2.gz STYQXXGDWMVLGY-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO Cc1ccccc1CNC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000035404530 569035776 /nfs/dbraw/zinc/03/57/76/569035776.db2.gz STYQXXGDWMVLGY-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@@H](C)c1cccs1 ZINC000016390202 569040879 /nfs/dbraw/zinc/04/08/79/569040879.db2.gz QIVQFUSXYYEATK-LBPRGKRZSA-N 1 2 413.465 3.693 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@@H](C)c1cccs1 ZINC000016390202 569040880 /nfs/dbraw/zinc/04/08/80/569040880.db2.gz QIVQFUSXYYEATK-LBPRGKRZSA-N 1 2 413.465 3.693 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245309782 569055726 /nfs/dbraw/zinc/05/57/26/569055726.db2.gz GIGPECARGLMMHZ-WTGUMLROSA-N 1 2 410.832 3.584 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245309782 569055727 /nfs/dbraw/zinc/05/57/27/569055727.db2.gz GIGPECARGLMMHZ-WTGUMLROSA-N 1 2 410.832 3.584 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000089292270 569058229 /nfs/dbraw/zinc/05/82/29/569058229.db2.gz UANUFKGXICQYNG-DEOSSOPVSA-N 1 2 404.510 3.604 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)C(C)C)cc1 ZINC000035800777 569060437 /nfs/dbraw/zinc/06/04/37/569060437.db2.gz TWTKKSRJHFCKJH-NRFANRHFSA-N 1 2 412.530 3.584 50 0 HHAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CNC(=O)C(C)C)cc1 ZINC000035800777 569060438 /nfs/dbraw/zinc/06/04/38/569060438.db2.gz TWTKKSRJHFCKJH-NRFANRHFSA-N 1 2 412.530 3.584 50 0 HHAALO CN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064228 569064241 /nfs/dbraw/zinc/06/42/41/569064241.db2.gz BZHLYMGLKOUBBH-IBGZPJMESA-N 1 2 416.706 3.950 50 0 biogenic HHAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)CC)cc1 ZINC000036063840 569085561 /nfs/dbraw/zinc/08/55/61/569085561.db2.gz HOTRYOCWFBYLBN-XLIONFOSSA-N 1 2 415.534 3.783 50 0 HHAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)CC)cc1 ZINC000036063840 569085562 /nfs/dbraw/zinc/08/55/62/569085562.db2.gz HOTRYOCWFBYLBN-XLIONFOSSA-N 1 2 415.534 3.783 50 0 HHAALO Cc1ccc(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCO4)c(Br)c1 ZINC000064794738 569096330 /nfs/dbraw/zinc/09/63/30/569096330.db2.gz WNQHCPKQQGZXBM-UHFFFAOYSA-N 1 2 402.248 3.517 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000036226751 569113913 /nfs/dbraw/zinc/11/39/13/569113913.db2.gz QVWJLUNAPKXQCO-UHFFFAOYSA-N 1 2 415.537 3.743 50 0 HHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000006779109 569119337 /nfs/dbraw/zinc/11/93/37/569119337.db2.gz KWZOMUOTGICEMA-UHFFFAOYSA-N 1 2 405.545 3.686 50 0 HHAALO CCc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NCCC(C)C)C3CCCC3)CC2)cc1 ZINC000036254658 569120099 /nfs/dbraw/zinc/12/00/99/569120099.db2.gz HNHNSEJDVNQNQS-QHCPKHFHSA-N 1 2 413.606 3.728 50 0 HHAALO O=C(NCc1ccccc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310416 569131644 /nfs/dbraw/zinc/13/16/44/569131644.db2.gz NDJLPDFCZRCLMB-QHCPKHFHSA-N 1 2 420.557 3.711 50 0 HHAALO O=C(CCc1ccccc1)N1CC[NH+]([C@H](C(=O)Nc2ccccc2)C2CCCC2)CC1 ZINC000036311302 569132350 /nfs/dbraw/zinc/13/23/50/569132350.db2.gz IRYNYOQQLHQVDC-VWLOTQADSA-N 1 2 419.569 3.961 50 0 HHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2cccc(F)c2)cc1 ZINC000065171474 569188799 /nfs/dbraw/zinc/18/87/99/569188799.db2.gz JXZAWMMJDWVUPD-UHFFFAOYSA-N 1 2 400.475 3.992 50 0 HHAALO COc1cccc(CNC(=O)c2cc3c(n2C)CC[N@H+](Cc2cccc(F)c2)C3)c1 ZINC000065211115 569196275 /nfs/dbraw/zinc/19/62/75/569196275.db2.gz DNGGSNOXIYWHTK-UHFFFAOYSA-N 1 2 407.489 3.661 50 0 HHAALO COc1cccc(CNC(=O)c2cc3c(n2C)CC[N@@H+](Cc2cccc(F)c2)C3)c1 ZINC000065211115 569196276 /nfs/dbraw/zinc/19/62/76/569196276.db2.gz DNGGSNOXIYWHTK-UHFFFAOYSA-N 1 2 407.489 3.661 50 0 HHAALO CCn1c(C[NH2+][C@@H](C)c2ccco2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000006999488 569196736 /nfs/dbraw/zinc/19/67/36/569196736.db2.gz OKNFDQNFGRPEJX-INIZCTEOSA-N 1 2 416.547 3.675 50 0 HHAALO O=C(Cc1cccnc1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259983 569210914 /nfs/dbraw/zinc/21/09/14/569210914.db2.gz KCXZPODUHBRFJS-DEOSSOPVSA-N 1 2 403.530 3.673 50 0 HHAALO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N1CCCCCC1 ZINC000089913777 569268304 /nfs/dbraw/zinc/26/83/04/569268304.db2.gz MEXSFTKDJAMRHJ-JKSUJKDBSA-N 1 2 419.570 3.912 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(C)c(C)c2)CC1 ZINC000017120365 569275010 /nfs/dbraw/zinc/27/50/10/569275010.db2.gz BTPKWSAIRHLKBD-UHFFFAOYSA-N 1 2 414.513 3.768 50 0 HHAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000027113072 569279890 /nfs/dbraw/zinc/27/98/90/569279890.db2.gz IXHRSUYQYJOAHO-APWZRJJASA-N 1 2 418.632 3.684 50 0 HHAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000002155353 569290210 /nfs/dbraw/zinc/29/02/10/569290210.db2.gz ZDPACSZTHPKVPO-SFHVURJKSA-N 1 2 424.913 3.970 50 0 biogenic HHAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000007640134 569298049 /nfs/dbraw/zinc/29/80/49/569298049.db2.gz JXIAOPDJEOCJNH-UHFFFAOYSA-N 1 2 402.450 3.717 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000007640134 569298051 /nfs/dbraw/zinc/29/80/51/569298051.db2.gz JXIAOPDJEOCJNH-UHFFFAOYSA-N 1 2 402.450 3.717 50 0 HHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000007878598 569315015 /nfs/dbraw/zinc/31/50/15/569315015.db2.gz PVUJYYIKVPCBHG-NSHDSACASA-N 1 2 412.296 3.911 50 0 HHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000007878598 569315017 /nfs/dbraw/zinc/31/50/17/569315017.db2.gz PVUJYYIKVPCBHG-NSHDSACASA-N 1 2 412.296 3.911 50 0 HHAALO COc1ccc(OC)c(C[N@H+](CC(=O)NCCSc2ccccc2)C2CC2)c1 ZINC000027604366 569376011 /nfs/dbraw/zinc/37/60/11/569376011.db2.gz CKAPQZCKWZUSDZ-UHFFFAOYSA-N 1 2 400.544 3.577 50 0 HHAALO COc1ccc(OC)c(C[N@@H+](CC(=O)NCCSc2ccccc2)C2CC2)c1 ZINC000027604366 569376012 /nfs/dbraw/zinc/37/60/12/569376012.db2.gz CKAPQZCKWZUSDZ-UHFFFAOYSA-N 1 2 400.544 3.577 50 0 HHAALO Cc1cc2c3c(c1)C(C[NH+]1CCN(c4ccccc4F)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000253495922 569381810 /nfs/dbraw/zinc/38/18/10/569381810.db2.gz WIGOSXPLHREUJS-UHFFFAOYSA-N 1 2 419.500 3.661 50 0 HHAALO COc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c1 ZINC000002447451 569401916 /nfs/dbraw/zinc/40/19/16/569401916.db2.gz ILTQZISPMLBPQU-UHFFFAOYSA-N 1 2 405.483 3.614 50 0 HHAALO CCC[N@H+](CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C)Cc1ccccc1 ZINC000078800704 569420406 /nfs/dbraw/zinc/42/04/06/569420406.db2.gz LVAQGAOOGUHQHF-FQEVSTJZSA-N 1 2 402.560 3.559 50 0 HHAALO CCC[N@@H+](CC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C)Cc1ccccc1 ZINC000078800704 569420408 /nfs/dbraw/zinc/42/04/08/569420408.db2.gz LVAQGAOOGUHQHF-FQEVSTJZSA-N 1 2 402.560 3.559 50 0 HHAALO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)=N1 ZINC000079045996 569425223 /nfs/dbraw/zinc/42/52/23/569425223.db2.gz NEWNHSJHWJKNJI-GOSISDBHSA-N 1 2 422.504 3.762 50 0 HHAALO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)=N1 ZINC000079045996 569425224 /nfs/dbraw/zinc/42/52/24/569425224.db2.gz NEWNHSJHWJKNJI-GOSISDBHSA-N 1 2 422.504 3.762 50 0 HHAALO CC(C)c1[nH+]c2cc(NC(=O)[C@H]3CCCN(c4ccc(Cl)nn4)C3)ccc2n1C ZINC000079501256 569432887 /nfs/dbraw/zinc/43/28/87/569432887.db2.gz FQMCVUJEADAHKO-AWEZNQCLSA-N 1 2 412.925 3.995 50 0 HHAALO O=C(c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000040110475 571168815 /nfs/dbraw/zinc/16/88/15/571168815.db2.gz MLRNRBUFTDNAEY-IBGZPJMESA-N 1 2 413.524 3.921 50 0 HHAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000040115969 571173596 /nfs/dbraw/zinc/17/35/96/571173596.db2.gz CYADMQDQDZWDJA-INIZCTEOSA-N 1 2 405.527 3.519 50 0 HHAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000040115971 571173623 /nfs/dbraw/zinc/17/36/23/571173623.db2.gz CYADMQDQDZWDJA-MRXNPFEDSA-N 1 2 405.527 3.519 50 0 HHAALO C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872882 571289137 /nfs/dbraw/zinc/28/91/37/571289137.db2.gz CKFZNCNNBYMQIU-HKUYNNGSSA-N 1 2 413.591 3.650 50 0 HHAALO Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2)c(Cl)c1 ZINC000077196688 571312407 /nfs/dbraw/zinc/31/24/07/571312407.db2.gz JGKFHTNBSIYEEE-UHFFFAOYSA-N 1 2 423.908 3.804 50 0 HHAALO CCCCc1ncc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3OC)CC2)[nH]1 ZINC000011785235 962191048 /nfs/dbraw/zinc/19/10/48/962191048.db2.gz BGYBSVAVBCFXPZ-NRFANRHFSA-N 1 2 424.589 3.722 50 0 HHAALO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cc(C(C)C)[nH]n3)CC2)[C@H]1OC ZINC000011882515 962206360 /nfs/dbraw/zinc/20/63/60/962206360.db2.gz GGGLEMJGRCBNDF-PKTZIBPZSA-N 1 2 410.562 3.663 50 0 HHAALO CO[C@@H]1CN(Cc2cccnc2)C(=O)C[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000014539584 962524571 /nfs/dbraw/zinc/52/45/71/962524571.db2.gz ZASYPWYXPYAKEA-DEOSSOPVSA-N 1 2 417.509 3.733 50 0 HHAALO CO[C@@H]1CN(Cc2cccnc2)C(=O)C[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000014539584 962524576 /nfs/dbraw/zinc/52/45/76/962524576.db2.gz ZASYPWYXPYAKEA-DEOSSOPVSA-N 1 2 417.509 3.733 50 0 HHAALO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3csc(C(C)=O)c3)C1)CC2 ZINC000020272251 963386127 /nfs/dbraw/zinc/38/61/27/963386127.db2.gz OGQWMKCNUZXABU-HXUWFJFHSA-N 1 2 414.571 3.991 50 0 HHAALO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3csc(C(C)=O)c3)C1)CC2 ZINC000020272251 963386132 /nfs/dbraw/zinc/38/61/32/963386132.db2.gz OGQWMKCNUZXABU-HXUWFJFHSA-N 1 2 414.571 3.991 50 0 HHAALO COc1cc(CCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc(OC)c1OC ZINC000033471456 966407376 /nfs/dbraw/zinc/40/73/76/966407376.db2.gz MBPZPVMWDKWRLX-YFHOEESVSA-N 1 2 424.541 3.503 50 0 HHAALO CC[C@@H](C(=O)N1CC[NH+]=C1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000064677859 967267706 /nfs/dbraw/zinc/26/77/06/967267706.db2.gz BUDZZRGPJSOAKI-OAQYLSRUSA-N 1 2 410.949 3.854 50 0 HHAALO Cc1c[nH+]c(CO[C@H]2CCCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)C2)n1C ZINC000257176401 970617905 /nfs/dbraw/zinc/61/79/05/970617905.db2.gz SPTKUCPRJNRYAB-IBGZPJMESA-N 1 2 407.518 3.557 50 0 HHAALO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[N@H+](CC)c2cccc(C)c2)C1=O ZINC000004669299 132281869 /nfs/dbraw/zinc/28/18/69/132281869.db2.gz BLMKQWLZCKUMTF-OAQYLSRUSA-N 1 2 409.530 3.532 50 0 HHAALO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[N@@H+](CC)c2cccc(C)c2)C1=O ZINC000004669299 132281871 /nfs/dbraw/zinc/28/18/71/132281871.db2.gz BLMKQWLZCKUMTF-OAQYLSRUSA-N 1 2 409.530 3.532 50 0 HHAALO Cc1cc(N2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012784076 132367147 /nfs/dbraw/zinc/36/71/47/132367147.db2.gz SRGKIGPTFOKWRL-UHFFFAOYSA-N 1 2 422.360 3.976 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@H](C)c3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012819546 132367632 /nfs/dbraw/zinc/36/76/32/132367632.db2.gz KMUYNXBOSSDKFB-QGZVFWFLSA-N 1 2 415.969 3.561 50 0 HHAALO COC(=O)c1ccc(C[NH+]2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)o1 ZINC000077191117 522001083 /nfs/dbraw/zinc/00/10/83/522001083.db2.gz JNONQOAMDGZTKD-UHFFFAOYSA-N 1 2 407.348 3.734 50 0 HHAALO CC[C@H](C(=O)NCC[NH+]1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1 ZINC000020573402 523775108 /nfs/dbraw/zinc/77/51/08/523775108.db2.gz NPONYVDKEWLJFI-ZEQRLZLVSA-N 1 2 421.585 3.634 50 0 HHAALO CCc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)cc1 ZINC000032817828 524045122 /nfs/dbraw/zinc/04/51/22/524045122.db2.gz XQVWZPVAPAAMQD-INIZCTEOSA-N 1 2 409.511 3.936 50 0 HHAALO C[C@H]1CN(c2ccc(CNC(=O)CCCc3nc4ccccc4s3)c[nH+]2)CCO1 ZINC000032930765 524669471 /nfs/dbraw/zinc/66/94/71/524669471.db2.gz DJGUNPHVJAWFGV-INIZCTEOSA-N 1 2 410.543 3.556 50 0 HHAALO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)no1 ZINC000020600410 525547553 /nfs/dbraw/zinc/54/75/53/525547553.db2.gz GXDRTEMKMJDMJL-OAHLLOKOSA-N 1 2 417.469 3.759 50 0 HHAALO O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000032623346 526589726 /nfs/dbraw/zinc/58/97/26/526589726.db2.gz VRUONNVZMIDSDS-UHFFFAOYSA-N 1 2 402.498 3.573 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000032752736 527463375 /nfs/dbraw/zinc/46/33/75/527463375.db2.gz XXHVDDDBARPCGA-HXUWFJFHSA-N 1 2 403.511 3.808 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2cc(C)cc(C)c2)CC1 ZINC000009573690 537072539 /nfs/dbraw/zinc/07/25/39/537072539.db2.gz CNIIUXUCWOCDHG-UHFFFAOYSA-N 1 2 414.513 3.768 50 0 HHAALO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)Cn3c(C)[nH+]c4ccccc43)cc21 ZINC000000644358 557034407 /nfs/dbraw/zinc/03/44/07/557034407.db2.gz GGUNLVLBVWXPDD-KRWDZBQOSA-N 1 2 421.497 3.761 50 0 HHAALO O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000019791363 558282625 /nfs/dbraw/zinc/28/26/25/558282625.db2.gz RDZNZWCRUXMGAK-INIZCTEOSA-N 1 2 416.428 3.813 50 0 HHAALO Cn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCc1nnc(CCCc2ccccc2)o1 ZINC000011820405 558283822 /nfs/dbraw/zinc/28/38/22/558283822.db2.gz DUMLXGIMMSTCCK-IBGZPJMESA-N 1 2 407.518 3.665 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1OCc1ccccc1 ZINC000019823737 558291073 /nfs/dbraw/zinc/29/10/73/558291073.db2.gz RHJSBZCOJFKXNB-UHFFFAOYSA-N 1 2 406.482 3.825 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)c(OC)c1 ZINC000019832124 558291887 /nfs/dbraw/zinc/29/18/87/558291887.db2.gz FUUTVPWNGJUPQY-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO COc1ccc(CN2CC[NH+](Cc3ccccc3Br)CC2)c(OC)c1 ZINC000019832124 558291889 /nfs/dbraw/zinc/29/18/89/558291889.db2.gz FUUTVPWNGJUPQY-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO CCCc1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCCC2 ZINC000019946484 558314720 /nfs/dbraw/zinc/31/47/20/558314720.db2.gz ODIXCXHVKRLELY-UHFFFAOYSA-N 1 2 411.575 3.815 50 0 HHAALO O=S(=O)(C[C@H](CN1CCCCC1)[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000020060025 558329135 /nfs/dbraw/zinc/32/91/35/558329135.db2.gz GJUQNXFCNZTWKL-QFIPXVFZSA-N 1 2 400.588 3.954 50 0 HHAALO CCn1ncc(C[NH+]2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)c1C ZINC000020214028 558348011 /nfs/dbraw/zinc/34/80/11/558348011.db2.gz VPOPVBSUMDXZHZ-UHFFFAOYSA-N 1 2 411.497 3.745 50 0 HHAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)C1 ZINC000020332041 558355784 /nfs/dbraw/zinc/35/57/84/558355784.db2.gz CWQRDWIAPLJCLH-UHFFFAOYSA-N 1 2 419.963 3.646 50 0 HHAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)nc(N)c32)C1 ZINC000020332041 558355787 /nfs/dbraw/zinc/35/57/87/558355787.db2.gz CWQRDWIAPLJCLH-UHFFFAOYSA-N 1 2 419.963 3.646 50 0 HHAALO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000020363784 558358456 /nfs/dbraw/zinc/35/84/56/558358456.db2.gz GTHSXSRPGRBLES-UHFFFAOYSA-N 1 2 420.513 3.507 50 0 HHAALO CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020472367 558374076 /nfs/dbraw/zinc/37/40/76/558374076.db2.gz DFWQNXWNDGXGCY-UHFFFAOYSA-N 1 2 416.587 3.889 50 0 HHAALO COc1ccccc1-c1cn2c(C(=O)NCCc3cn4ccccc4[nH+]3)csc2n1 ZINC000012307396 558376223 /nfs/dbraw/zinc/37/62/23/558376223.db2.gz SHHKVBBWKUJNBV-UHFFFAOYSA-N 1 2 417.494 3.692 50 0 HHAALO CC[C@H](C)n1c(=O)c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)[nH]c1=S ZINC000020622442 558393998 /nfs/dbraw/zinc/39/39/98/558393998.db2.gz DSEVQDYZZJLHMH-XXFAHNHDSA-N 1 2 404.923 3.952 50 0 HHAALO CC[C@H](C)n1c(O)c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020622442 558394003 /nfs/dbraw/zinc/39/40/03/558394003.db2.gz DSEVQDYZZJLHMH-XXFAHNHDSA-N 1 2 404.923 3.952 50 0 HHAALO O[C@@H](CCc1ccccc1)C1CC[NH+](Cc2nc(COc3ccccc3)no2)CC1 ZINC000012387062 558395820 /nfs/dbraw/zinc/39/58/20/558395820.db2.gz KIVWYULYTBBGHC-QFIPXVFZSA-N 1 2 407.514 3.854 50 0 HHAALO c1ccc(OCc2noc(C[N@@H+]3CCCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000012701487 558447685 /nfs/dbraw/zinc/44/76/85/558447685.db2.gz RWXOEGZXVDQHRJ-UHFFFAOYSA-N 1 2 421.526 3.971 50 0 HHAALO c1ccc(OCc2noc(C[N@H+]3CCCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000012701487 558447686 /nfs/dbraw/zinc/44/76/86/558447686.db2.gz RWXOEGZXVDQHRJ-UHFFFAOYSA-N 1 2 421.526 3.971 50 0 HHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000012746409 558457994 /nfs/dbraw/zinc/45/79/94/558457994.db2.gz QRYMNBBSWIQLDH-UHFFFAOYSA-N 1 2 402.922 3.646 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000022240717 558471684 /nfs/dbraw/zinc/47/16/84/558471684.db2.gz ZGCQRERMBFUVNP-QGZVFWFLSA-N 1 2 415.559 3.949 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000022240717 558471687 /nfs/dbraw/zinc/47/16/87/558471687.db2.gz ZGCQRERMBFUVNP-QGZVFWFLSA-N 1 2 415.559 3.949 50 0 HHAALO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1OC ZINC000012971857 558489236 /nfs/dbraw/zinc/48/92/36/558489236.db2.gz CYPXEPRBNUCSIS-UHFFFAOYSA-N 1 2 420.513 3.837 50 0 HHAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1OC ZINC000012971857 558489238 /nfs/dbraw/zinc/48/92/38/558489238.db2.gz CYPXEPRBNUCSIS-UHFFFAOYSA-N 1 2 420.513 3.837 50 0 HHAALO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1 ZINC000012984409 558494868 /nfs/dbraw/zinc/49/48/68/558494868.db2.gz HAFCFWSWZQDWHU-FQEVSTJZSA-N 1 2 412.486 3.641 50 0 HHAALO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1 ZINC000012984409 558494870 /nfs/dbraw/zinc/49/48/70/558494870.db2.gz HAFCFWSWZQDWHU-FQEVSTJZSA-N 1 2 412.486 3.641 50 0 HHAALO O=c1nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c2sc3c(c21)CCC3 ZINC000013038411 558505700 /nfs/dbraw/zinc/50/57/00/558505700.db2.gz BCDBGZNUEOLSDI-OAHLLOKOSA-N 1 2 409.511 3.582 50 0 HHAALO O=c1nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH]c2sc3c(c21)CCC3 ZINC000013038411 558505702 /nfs/dbraw/zinc/50/57/02/558505702.db2.gz BCDBGZNUEOLSDI-OAHLLOKOSA-N 1 2 409.511 3.582 50 0 HHAALO Fc1ccc(C[NH+]2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000022752004 558507618 /nfs/dbraw/zinc/50/76/18/558507618.db2.gz MTNLIZHUECPXFR-UHFFFAOYSA-N 1 2 411.502 3.996 50 0 HHAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000022786111 558511104 /nfs/dbraw/zinc/51/11/04/558511104.db2.gz LAQQAQMDRIZJLB-UHFFFAOYSA-N 1 2 401.938 3.592 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1ccc(Cl)cc1 ZINC000013072132 558511676 /nfs/dbraw/zinc/51/16/76/558511676.db2.gz BIKUFKUXRXYGGU-UHFFFAOYSA-N 1 2 411.855 3.797 50 0 HHAALO Cc1[nH]c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cc2[nH+]1 ZINC000010896101 558547902 /nfs/dbraw/zinc/54/79/02/558547902.db2.gz ZQNGWPSMCUSCJN-IBGZPJMESA-N 1 2 404.495 3.913 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(Cl)cc1Cl ZINC000023303174 558548363 /nfs/dbraw/zinc/54/83/63/558548363.db2.gz BBYAPDMTRAWCQY-UHFFFAOYSA-N 1 2 420.340 3.685 50 0 HHAALO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023872992 558578677 /nfs/dbraw/zinc/57/86/77/558578677.db2.gz LUOYQQITTNBHAS-UHFFFAOYSA-N 1 2 421.566 3.898 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000023883467 558580256 /nfs/dbraw/zinc/58/02/56/558580256.db2.gz AQOIVZKZBPSAKG-UHFFFAOYSA-N 1 2 416.525 3.602 50 0 HHAALO Cn1c(SCc2cn3cc(Cl)ccc3[nH+]2)nnc1[C@@H]1COc2ccccc2O1 ZINC000024287926 558594300 /nfs/dbraw/zinc/59/43/00/558594300.db2.gz SDQFKXAIYVQFTL-INIZCTEOSA-N 1 2 413.890 3.921 50 0 HHAALO O=C(NCCOc1ccc2ccccc2c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024527945 558600173 /nfs/dbraw/zinc/60/01/73/558600173.db2.gz JZQHMWNWDQPQPH-UHFFFAOYSA-N 1 2 419.525 3.550 50 0 HHAALO COc1cc(OC)c(C2=CC[N@H+](CC(=O)N(C)Cc3ccsc3)CC2)c(OC)c1 ZINC000024991384 558626150 /nfs/dbraw/zinc/62/61/50/558626150.db2.gz SAMBKTOSBMHZAJ-UHFFFAOYSA-N 1 2 416.543 3.522 50 0 HHAALO COc1cc(OC)c(C2=CC[N@@H+](CC(=O)N(C)Cc3ccsc3)CC2)c(OC)c1 ZINC000024991384 558626153 /nfs/dbraw/zinc/62/61/53/558626153.db2.gz SAMBKTOSBMHZAJ-UHFFFAOYSA-N 1 2 416.543 3.522 50 0 HHAALO O=C(C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)N1CCCCCCC1 ZINC000026926937 558667185 /nfs/dbraw/zinc/66/71/85/558667185.db2.gz WOLQKGZTPQOQSF-UHFFFAOYSA-N 1 2 423.557 3.967 50 0 HHAALO O=C(C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1)N1CCCCCCC1 ZINC000026926937 558667190 /nfs/dbraw/zinc/66/71/90/558667190.db2.gz WOLQKGZTPQOQSF-UHFFFAOYSA-N 1 2 423.557 3.967 50 0 HHAALO CC[C@@H](C(=O)Nc1cc(C)on1)N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000027366588 558672516 /nfs/dbraw/zinc/67/25/16/558672516.db2.gz RTCCRNBFHRJQSX-WBVHZDCISA-N 1 2 413.547 3.689 50 0 HHAALO O=S(=O)(NCCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1C(F)(F)F ZINC000014849051 558674535 /nfs/dbraw/zinc/67/45/35/558674535.db2.gz NMCRMLYRVLYPCG-UHFFFAOYSA-N 1 2 403.813 3.528 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3cccc4ncccc43)CC2)nc(C(C)C)[nH+]1 ZINC000027747903 558681648 /nfs/dbraw/zinc/68/16/48/558681648.db2.gz ZLFORZZHABWQDF-GOSISDBHSA-N 1 2 418.545 3.606 50 0 HHAALO Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000027989650 558688090 /nfs/dbraw/zinc/68/80/90/558688090.db2.gz MYABQHUAFARNFB-UHFFFAOYSA-N 1 2 415.544 3.675 50 0 HHAALO Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000027989650 558688094 /nfs/dbraw/zinc/68/80/94/558688094.db2.gz MYABQHUAFARNFB-UHFFFAOYSA-N 1 2 415.544 3.675 50 0 HHAALO C[N@@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)CC1CCOCC1 ZINC000015062705 558705675 /nfs/dbraw/zinc/70/56/75/558705675.db2.gz LTZJXBDOKBVRDU-UHFFFAOYSA-N 1 2 423.623 3.506 50 0 HHAALO C[N@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)CC1CCOCC1 ZINC000015062705 558705677 /nfs/dbraw/zinc/70/56/77/558705677.db2.gz LTZJXBDOKBVRDU-UHFFFAOYSA-N 1 2 423.623 3.506 50 0 HHAALO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)c1 ZINC000015778965 558753029 /nfs/dbraw/zinc/75/30/29/558753029.db2.gz WGHDCGMNNPIDSH-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1cccc(C[N@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)c1 ZINC000015778965 558753032 /nfs/dbraw/zinc/75/30/32/558753032.db2.gz WGHDCGMNNPIDSH-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2nncc3ccccc32)CC1)c1ccccc1 ZINC000072308382 558770514 /nfs/dbraw/zinc/77/05/14/558770514.db2.gz BNNIEAKQEISTSH-AUSIDOKSSA-N 1 2 417.557 3.798 50 0 HHAALO OCCNc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000033014949 558834348 /nfs/dbraw/zinc/83/43/48/558834348.db2.gz RQENCHPGLHYUHA-SFHVURJKSA-N 1 2 419.481 3.673 50 0 HHAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000004601786 558842418 /nfs/dbraw/zinc/84/24/18/558842418.db2.gz ZTTAPHRNZAPWFI-LBPRGKRZSA-N 1 2 410.890 3.983 50 0 HHAALO Cc1cc(C)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccnc2)c(C)c1 ZINC000013573396 558844771 /nfs/dbraw/zinc/84/47/71/558844771.db2.gz JJHOINREQKQYGB-UHFFFAOYSA-N 1 2 412.603 3.928 50 0 HHAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019313429 558866947 /nfs/dbraw/zinc/86/69/47/558866947.db2.gz URPAWXBJDSJWAY-SFHVURJKSA-N 1 2 422.287 3.587 50 0 HHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000033106510 558874120 /nfs/dbraw/zinc/87/41/20/558874120.db2.gz QXBHIOFZDJAJII-UHFFFAOYSA-N 1 2 414.307 3.690 50 0 HHAALO O=C(NCc1ccco1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106603 558874130 /nfs/dbraw/zinc/87/41/30/558874130.db2.gz NFABKWIZVMEPPH-UHFFFAOYSA-N 1 2 415.497 3.709 50 0 HHAALO CCN(C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccncc2)c1)c1ccccc1 ZINC000055415034 558881345 /nfs/dbraw/zinc/88/13/45/558881345.db2.gz ACXQCLUGYQLWQK-UHFFFAOYSA-N 1 2 402.498 3.819 50 0 HHAALO CCN(C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccncc2)c1)c1ccccc1 ZINC000055415034 558881346 /nfs/dbraw/zinc/88/13/46/558881346.db2.gz ACXQCLUGYQLWQK-UHFFFAOYSA-N 1 2 402.498 3.819 50 0 HHAALO C[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)N2CC[NH+](C)CC2)C1 ZINC000055448178 558881561 /nfs/dbraw/zinc/88/15/61/558881561.db2.gz SVQUCCGWWXMXEP-AWEZNQCLSA-N 1 2 415.534 3.652 50 0 HHAALO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000071315474 558896993 /nfs/dbraw/zinc/89/69/93/558896993.db2.gz UDRVTBMFOKWULD-QGZVFWFLSA-N 1 2 401.510 3.880 50 0 HHAALO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000071315474 558896994 /nfs/dbraw/zinc/89/69/94/558896994.db2.gz UDRVTBMFOKWULD-QGZVFWFLSA-N 1 2 401.510 3.880 50 0 HHAALO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=O)Cn3ncc4c3-c3ccccc3OC4)C2)c1 ZINC000058062442 558897606 /nfs/dbraw/zinc/89/76/06/558897606.db2.gz QYHBJFNXLSJKDL-UHFFFAOYSA-N 1 2 416.525 3.751 50 0 HHAALO Cc1ccc(C)c(C[N@H+]2CCCN(C(=O)Cn3ncc4c3-c3ccccc3OC4)C2)c1 ZINC000058062442 558897607 /nfs/dbraw/zinc/89/76/07/558897607.db2.gz QYHBJFNXLSJKDL-UHFFFAOYSA-N 1 2 416.525 3.751 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058159444 558904436 /nfs/dbraw/zinc/90/44/36/558904436.db2.gz WFVTUOMKYVQTJZ-OAHLLOKOSA-N 1 2 418.335 3.607 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178110 558909912 /nfs/dbraw/zinc/90/99/12/558909912.db2.gz QPFXJIUNTDIXLG-AZUAARDMSA-N 1 2 403.320 3.976 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178110 558909914 /nfs/dbraw/zinc/90/99/14/558909914.db2.gz QPFXJIUNTDIXLG-AZUAARDMSA-N 1 2 403.320 3.976 50 0 HHAALO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(c2cc(NCCO)nc[nH+]2)C1 ZINC000071764874 558910585 /nfs/dbraw/zinc/91/05/85/558910585.db2.gz YEGHCPFXOSFABV-NRFANRHFSA-N 1 2 402.498 3.647 50 0 HHAALO Cc1cccn2cc(CC(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)[nH+]c12 ZINC000058425033 558926051 /nfs/dbraw/zinc/92/60/51/558926051.db2.gz DLDLLGNJMTWLIX-UHFFFAOYSA-N 1 2 418.419 3.679 50 0 HHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000072117615 558927456 /nfs/dbraw/zinc/92/74/56/558927456.db2.gz MYKSHDQCLCHWRK-UHFFFAOYSA-N 1 2 406.446 3.967 50 0 HHAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)ncn2)c1C ZINC000072119167 558927963 /nfs/dbraw/zinc/92/79/63/558927963.db2.gz HBQXAASRIJIFEP-UHFFFAOYSA-N 1 2 418.545 3.539 50 0 HHAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)[nH+]c(C)n2)n1 ZINC000065363481 558974593 /nfs/dbraw/zinc/97/45/93/558974593.db2.gz PPGXKSMYUXQMAD-UHFFFAOYSA-N 1 2 419.533 3.559 50 0 HHAALO COc1cc2cc(C[N@@H+]3CCNC(=O)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072425774 558978877 /nfs/dbraw/zinc/97/88/77/558978877.db2.gz FLQHFZZMBABPCV-UHFFFAOYSA-N 1 2 411.889 3.504 50 0 HHAALO COc1cc2cc(C[N@H+]3CCNC(=O)C3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072425774 558978880 /nfs/dbraw/zinc/97/88/80/558978880.db2.gz FLQHFZZMBABPCV-UHFFFAOYSA-N 1 2 411.889 3.504 50 0 HHAALO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756097 558992475 /nfs/dbraw/zinc/99/24/75/558992475.db2.gz JEIRJLQGXXGTOX-KRWDZBQOSA-N 1 2 400.526 3.615 50 0 HHAALO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756097 558992476 /nfs/dbraw/zinc/99/24/76/558992476.db2.gz JEIRJLQGXXGTOX-KRWDZBQOSA-N 1 2 400.526 3.615 50 0 HHAALO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756097 558992477 /nfs/dbraw/zinc/99/24/77/558992477.db2.gz JEIRJLQGXXGTOX-KRWDZBQOSA-N 1 2 400.526 3.615 50 0 HHAALO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756097 558992479 /nfs/dbraw/zinc/99/24/79/558992479.db2.gz JEIRJLQGXXGTOX-KRWDZBQOSA-N 1 2 400.526 3.615 50 0 HHAALO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1cccc(C(F)(F)F)c1 ZINC000100835545 559141271 /nfs/dbraw/zinc/14/12/71/559141271.db2.gz FCPDBQXAYNNPSS-ZDUSSCGKSA-N 1 2 406.389 3.564 50 0 HHAALO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046467871 559147316 /nfs/dbraw/zinc/14/73/16/559147316.db2.gz NRIAKKRKGDTZKI-LJQANCHMSA-N 1 2 413.522 3.506 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 ZINC000011694431 559188122 /nfs/dbraw/zinc/18/81/22/559188122.db2.gz RUABUQDOIIAZSA-UHFFFAOYSA-N 1 2 419.460 3.607 50 0 HHAALO Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000033742483 559239072 /nfs/dbraw/zinc/23/90/72/559239072.db2.gz YZRVFFRPQDTFRM-UHFFFAOYSA-N 1 2 414.553 3.966 50 0 HHAALO C[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005191908 559291561 /nfs/dbraw/zinc/29/15/61/559291561.db2.gz SXSQPXCAUGFSMA-UHFFFAOYSA-N 1 2 409.964 3.609 50 0 HHAALO C[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005191908 559291563 /nfs/dbraw/zinc/29/15/63/559291563.db2.gz SXSQPXCAUGFSMA-UHFFFAOYSA-N 1 2 409.964 3.609 50 0 HHAALO CS(=O)(=O)c1ccc(NC(=O)C[N@H+](CCC(F)(F)F)C2CCCCC2)cc1 ZINC000079055974 560541521 /nfs/dbraw/zinc/54/15/21/560541521.db2.gz JTEBOELCDGXRGH-UHFFFAOYSA-N 1 2 406.470 3.616 50 0 HHAALO CS(=O)(=O)c1ccc(NC(=O)C[N@@H+](CCC(F)(F)F)C2CCCCC2)cc1 ZINC000079055974 560541523 /nfs/dbraw/zinc/54/15/23/560541523.db2.gz JTEBOELCDGXRGH-UHFFFAOYSA-N 1 2 406.470 3.616 50 0 HHAALO C[C@H](c1nnc(SCC(=O)N2CCCC2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000005280637 560562536 /nfs/dbraw/zinc/56/25/36/560562536.db2.gz IOAVPJMVMHNFLB-MRXNPFEDSA-N 1 2 417.554 3.668 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000008839855 560639752 /nfs/dbraw/zinc/63/97/52/560639752.db2.gz CFHANGSSZVFAJY-UHFFFAOYSA-N 1 2 415.497 3.527 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000011436519 560772162 /nfs/dbraw/zinc/77/21/62/560772162.db2.gz NJLOEZPZNXZULV-KRWDZBQOSA-N 1 2 418.515 3.718 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000011436519 560772164 /nfs/dbraw/zinc/77/21/64/560772164.db2.gz NJLOEZPZNXZULV-KRWDZBQOSA-N 1 2 418.515 3.718 50 0 HHAALO Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCn4cc[nH+]c4)c(=N)c32)cc1 ZINC000101356012 560792382 /nfs/dbraw/zinc/79/23/82/560792382.db2.gz FPXWKVOYJNUEDS-OAQYLSRUSA-N 1 2 413.481 3.949 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103514790 560842798 /nfs/dbraw/zinc/84/27/98/560842798.db2.gz VMSPJWIOVOTBEH-UNMCSNQZSA-N 1 2 415.424 3.617 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103518511 560842801 /nfs/dbraw/zinc/84/28/01/560842801.db2.gz LDLNTYIVGRZWTB-FYYLOGMGSA-N 1 2 411.461 3.786 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3ccc(OC)cc3)C2)nc[nH+]1 ZINC000106482810 560892101 /nfs/dbraw/zinc/89/21/01/560892101.db2.gz WKJBLBBUVNVZGU-QZTJIDSGSA-N 1 2 411.550 3.791 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3ccc(OC)cc3)C2)[nH+]cn1 ZINC000106482810 560892103 /nfs/dbraw/zinc/89/21/03/560892103.db2.gz WKJBLBBUVNVZGU-QZTJIDSGSA-N 1 2 411.550 3.791 50 0 HHAALO CCCCNC(=O)Cc1noc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048057971 568431854 /nfs/dbraw/zinc/43/18/54/568431854.db2.gz KMMRHJOPPDJAJO-OAQYLSRUSA-N 1 2 404.514 3.676 50 0 HHAALO CCCCNC(=O)Cc1noc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000048057971 568431855 /nfs/dbraw/zinc/43/18/55/568431855.db2.gz KMMRHJOPPDJAJO-OAQYLSRUSA-N 1 2 404.514 3.676 50 0 HHAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000048368908 568442208 /nfs/dbraw/zinc/44/22/08/568442208.db2.gz MXZFBRDEHBAEGW-GOSISDBHSA-N 1 2 421.497 3.637 50 0 HHAALO COc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000049403401 568448397 /nfs/dbraw/zinc/44/83/97/568448397.db2.gz FKPCTUUFMGMDKK-UHFFFAOYSA-N 1 2 410.449 3.702 50 0 HHAALO C[C@@H]1CCCN(c2ccc(-c3noc(C[NH+]4CCN(c5ccccc5)CC4)n3)cn2)C1 ZINC000049409631 568449660 /nfs/dbraw/zinc/44/96/60/568449660.db2.gz BEHSWHHNCLGQQI-LJQANCHMSA-N 1 2 418.545 3.690 50 0 HHAALO CCN(CC)c1ccc(-c2noc(C[NH+]3CCN(c4cccc(C)c4)CC3)n2)cn1 ZINC000049409716 568449710 /nfs/dbraw/zinc/44/97/10/568449710.db2.gz PDLNMEMDHPTJLH-UHFFFAOYSA-N 1 2 406.534 3.608 50 0 HHAALO COc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)c1 ZINC000000790155 568478785 /nfs/dbraw/zinc/47/87/85/568478785.db2.gz QDIORGPGVRKLIO-UHFFFAOYSA-N 1 2 405.483 3.863 50 0 HHAALO O=c1[nH]c(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)nc2cc(Cl)ccc21 ZINC000022771237 568499470 /nfs/dbraw/zinc/49/94/70/568499470.db2.gz UKPPEDSAMCDFED-UHFFFAOYSA-N 1 2 403.313 3.548 50 0 HHAALO Cc1ccc(CCCC(=O)N2CCN(Cc3c(C)[nH+]c4n3CCCC4)CC2)s1 ZINC000095456604 568618129 /nfs/dbraw/zinc/61/81/29/568618129.db2.gz PXRBJWSGVVLOAF-UHFFFAOYSA-N 1 2 400.592 3.565 50 0 HHAALO Cc1[nH+]c2n(c1CN1CCN(c3nc(C)nc4sc5c(c43)CCC5)CC1)CCCC2 ZINC000095467520 568624760 /nfs/dbraw/zinc/62/47/60/568624760.db2.gz OWEDLFKZMVBKOC-UHFFFAOYSA-N 1 2 422.602 3.652 50 0 HHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCN1C(=S)N=NC1c1ccc(C)cc1 ZINC000225489802 568642298 /nfs/dbraw/zinc/64/22/98/568642298.db2.gz XJMDHCZRXIIMJX-SFHVURJKSA-N 1 2 424.574 3.903 50 0 HHAALO O=C(NCc1ccco1)C1CCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)CC1 ZINC000096124031 568700572 /nfs/dbraw/zinc/70/05/72/568700572.db2.gz VLFLTULOEBIVAK-UHFFFAOYSA-N 1 2 401.470 3.546 50 0 HHAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000012421501 568721006 /nfs/dbraw/zinc/72/10/06/568721006.db2.gz WJMYNFREVHONRP-IBGZPJMESA-N 1 2 420.594 3.795 50 0 HHAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1cccc(C)c1 ZINC000096316826 568726131 /nfs/dbraw/zinc/72/61/31/568726131.db2.gz BRRBRDUXKQWSMU-UHFFFAOYSA-N 1 2 404.558 3.874 50 0 HHAALO O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025339802 568764853 /nfs/dbraw/zinc/76/48/53/568764853.db2.gz MIEQICJOIBNZHU-UHFFFAOYSA-N 1 2 409.799 3.781 50 0 HHAALO Cc1ccn2cc(CNC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)[nH+]c2c1 ZINC000056627620 568764994 /nfs/dbraw/zinc/76/49/94/568764994.db2.gz YOTXEPKVAQPUAO-HZPDHXFCSA-N 1 2 411.481 3.717 50 0 HHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460530 568768578 /nfs/dbraw/zinc/76/85/78/568768578.db2.gz GKAZMXGMTVNCOJ-KXBFYZLASA-N 1 2 406.596 3.941 50 0 HHAALO Cc1cc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1Br ZINC000052537392 568769785 /nfs/dbraw/zinc/76/97/85/568769785.db2.gz PGNQXTZKCIWERH-UHFFFAOYSA-N 1 2 406.299 3.657 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000056949954 568822239 /nfs/dbraw/zinc/82/22/39/568822239.db2.gz BLYMQVUNGXMGKX-UHFFFAOYSA-N 1 2 424.472 3.689 50 0 HHAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)CC3 ZINC000057061292 568823976 /nfs/dbraw/zinc/82/39/76/568823976.db2.gz BMVKHZOQRPOTSB-UHFFFAOYSA-N 1 2 422.960 3.837 50 0 HHAALO Cc1ccc(N2C(=O)N(C[N@H+](C)Cc3ccccc3N3CCCC3)C(=O)[C@@H]2C)cc1 ZINC000057292117 568826144 /nfs/dbraw/zinc/82/61/44/568826144.db2.gz AQKLHPVVUDFDSG-IBGZPJMESA-N 1 2 406.530 3.842 50 0 HHAALO Cc1ccc(N2C(=O)N(C[N@@H+](C)Cc3ccccc3N3CCCC3)C(=O)[C@@H]2C)cc1 ZINC000057292117 568826145 /nfs/dbraw/zinc/82/61/45/568826145.db2.gz AQKLHPVVUDFDSG-IBGZPJMESA-N 1 2 406.530 3.842 50 0 HHAALO CC[N@H+](CCCNC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)c1ccccc1 ZINC000057477389 568839539 /nfs/dbraw/zinc/83/95/39/568839539.db2.gz ZCWXFPSYDNDARG-UHFFFAOYSA-N 1 2 408.502 3.740 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1)c1ccccc1 ZINC000057477389 568839540 /nfs/dbraw/zinc/83/95/40/568839540.db2.gz ZCWXFPSYDNDARG-UHFFFAOYSA-N 1 2 408.502 3.740 50 0 HHAALO COc1ccc([C@@H](NC(=O)c2nc(-c3ccco3)sc2C)c2[nH+]ccn2C)cc1 ZINC000012535873 568845605 /nfs/dbraw/zinc/84/56/05/568845605.db2.gz JDDTYLMUBAGQEP-GOSISDBHSA-N 1 2 408.483 3.973 50 0 HHAALO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012548029 568851213 /nfs/dbraw/zinc/85/12/13/568851213.db2.gz ZVHVOYWPGHVSJR-UHFFFAOYSA-N 1 2 404.514 3.847 50 0 HHAALO Cc1ccc2[nH+]c(CN3C(=O)N[C@@](Cc4ccccc4)(c4ccccc4)C3=O)cn2c1 ZINC000012548371 568851409 /nfs/dbraw/zinc/85/14/09/568851409.db2.gz MZJISEGQPZAADV-VWLOTQADSA-N 1 2 410.477 3.833 50 0 HHAALO COc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000057572715 568854076 /nfs/dbraw/zinc/85/40/76/568854076.db2.gz NVXVPGSDBSJPLH-HXUWFJFHSA-N 1 2 422.573 3.835 50 0 HHAALO C[C@H](NC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012604206 568870589 /nfs/dbraw/zinc/87/05/89/568870589.db2.gz LAHLGKMZFGPRID-LIRRHRJNSA-N 1 2 411.893 3.503 50 0 HHAALO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000299784675 568875491 /nfs/dbraw/zinc/87/54/91/568875491.db2.gz HKQYOYAZRIGMSW-KUHUBIRLSA-N 1 2 416.497 3.665 50 0 HHAALO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000299784675 568875492 /nfs/dbraw/zinc/87/54/92/568875492.db2.gz HKQYOYAZRIGMSW-KUHUBIRLSA-N 1 2 416.497 3.665 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000058135952 568890272 /nfs/dbraw/zinc/89/02/72/568890272.db2.gz MRWCTSDYTYUYNU-QHCPKHFHSA-N 1 2 404.489 3.514 50 0 HHAALO CC[C@H](c1nnc(SCC(=O)Nc2cc(C)on2)n1C1CCCCC1)[NH+](C)C ZINC000003373754 568891122 /nfs/dbraw/zinc/89/11/22/568891122.db2.gz RJLDIZSLQWSZMP-OAHLLOKOSA-N 1 2 406.556 3.823 50 0 HHAALO Cc1ccc2nc(-c3ccc(N4C(=[NH2+])S[C@@H]5CS(=O)(=O)C[C@@H]54)cc3)sc2c1 ZINC000001275304 568910108 /nfs/dbraw/zinc/91/01/08/568910108.db2.gz ZNMWSWKDSXGIKF-DOTOQJQBSA-N 1 2 415.565 3.925 50 0 aggregator HHAALO Cc1noc(C)c1COc1ccccc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000012737439 568925265 /nfs/dbraw/zinc/92/52/65/568925265.db2.gz LKASBLMQKKUQNG-UHFFFAOYSA-N 1 2 404.470 3.959 50 0 HHAALO CC(=O)c1ccc(OCCCC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000012748422 568934697 /nfs/dbraw/zinc/93/46/97/568934697.db2.gz MXFLLPSKKLQQHJ-QFIPXVFZSA-N 1 2 409.461 3.827 50 0 HHAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012756329 568943003 /nfs/dbraw/zinc/94/30/03/568943003.db2.gz HHTZYNZWPWXPEP-GOSISDBHSA-N 1 2 422.525 3.997 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000008134508 568976807 /nfs/dbraw/zinc/97/68/07/568976807.db2.gz HKLCQUDIJJEKIA-UHFFFAOYSA-N 1 2 402.502 3.978 50 0 HHAALO Cc1ccc(CNC(=O)c2nnc(C[NH+]3CCC(c4ccc(O)cc4)CC3)s2)cc1 ZINC000012908686 569021638 /nfs/dbraw/zinc/02/16/38/569021638.db2.gz SZOAABQPOGJZCE-UHFFFAOYSA-N 1 2 422.554 3.862 50 0 HHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012930309 569024639 /nfs/dbraw/zinc/02/46/39/569024639.db2.gz RYSVKDNUWCHQRG-HNNXBMFYSA-N 1 2 419.932 3.850 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)NCc1ccco1)CC2 ZINC000035335097 569033184 /nfs/dbraw/zinc/03/31/84/569033184.db2.gz UHKLKIGVRNLOMV-XMMPIXPASA-N 1 2 406.482 3.561 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)NCc1ccco1)CC2 ZINC000035335097 569033185 /nfs/dbraw/zinc/03/31/85/569033185.db2.gz UHKLKIGVRNLOMV-XMMPIXPASA-N 1 2 406.482 3.561 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000035361689 569033676 /nfs/dbraw/zinc/03/36/76/569033676.db2.gz WJVKSBBNVHBLBZ-JOCHJYFZSA-N 1 2 424.595 3.501 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000035361689 569033677 /nfs/dbraw/zinc/03/36/77/569033677.db2.gz WJVKSBBNVHBLBZ-JOCHJYFZSA-N 1 2 424.595 3.501 50 0 HHAALO CCc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404210 569035751 /nfs/dbraw/zinc/03/57/51/569035751.db2.gz QEFAXAGQCULBRH-UHFFFAOYSA-N 1 2 400.526 3.840 50 0 HHAALO CCc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404210 569035752 /nfs/dbraw/zinc/03/57/52/569035752.db2.gz QEFAXAGQCULBRH-UHFFFAOYSA-N 1 2 400.526 3.840 50 0 HHAALO C[C@H](C(=O)Nc1ccccc1F)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422471 569048258 /nfs/dbraw/zinc/04/82/58/569048258.db2.gz NAXDKBHEKKRNJL-CQSZACIVSA-N 1 2 410.415 3.779 50 0 HHAALO C[C@H](C(=O)Nc1ccccc1F)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422471 569048259 /nfs/dbraw/zinc/04/82/59/569048259.db2.gz NAXDKBHEKKRNJL-CQSZACIVSA-N 1 2 410.415 3.779 50 0 HHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1 ZINC000006590822 569068691 /nfs/dbraw/zinc/06/86/91/569068691.db2.gz JHXRTSMFYHAVOY-LJQANCHMSA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1 ZINC000006590822 569068692 /nfs/dbraw/zinc/06/86/92/569068692.db2.gz JHXRTSMFYHAVOY-LJQANCHMSA-N 1 2 420.517 3.860 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccon3)csc2C1 ZINC000426399143 569072778 /nfs/dbraw/zinc/07/27/78/569072778.db2.gz BKGURDDLEIWJAI-ZDUSSCGKSA-N 1 2 400.504 3.732 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccon3)csc2C1 ZINC000426399143 569072779 /nfs/dbraw/zinc/07/27/79/569072779.db2.gz BKGURDDLEIWJAI-ZDUSSCGKSA-N 1 2 400.504 3.732 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC4(O)CCCCC4)csc3C2)nc1 ZINC000426441683 569073056 /nfs/dbraw/zinc/07/30/56/569073056.db2.gz BUASSRWHYAOBLL-UHFFFAOYSA-N 1 2 413.587 3.689 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC4(O)CCCCC4)csc3C2)nc1 ZINC000426441683 569073057 /nfs/dbraw/zinc/07/30/57/569073057.db2.gz BUASSRWHYAOBLL-UHFFFAOYSA-N 1 2 413.587 3.689 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4ncccc4C)csc3C2)nc1 ZINC000426438690 569073078 /nfs/dbraw/zinc/07/30/78/569073078.db2.gz MMGUSOSACVYAFZ-UHFFFAOYSA-N 1 2 406.555 3.897 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4ncccc4C)csc3C2)nc1 ZINC000426438690 569073079 /nfs/dbraw/zinc/07/30/79/569073079.db2.gz MMGUSOSACVYAFZ-UHFFFAOYSA-N 1 2 406.555 3.897 50 0 HHAALO CCN(C[C@@H]1CCCO1)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426548725 569073372 /nfs/dbraw/zinc/07/33/72/569073372.db2.gz CWPMERVVFZOCIR-INIZCTEOSA-N 1 2 403.548 3.552 50 0 HHAALO CCN(C[C@@H]1CCCO1)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426548725 569073373 /nfs/dbraw/zinc/07/33/73/569073373.db2.gz CWPMERVVFZOCIR-INIZCTEOSA-N 1 2 403.548 3.552 50 0 HHAALO CC[C@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036026468 569079524 /nfs/dbraw/zinc/07/95/24/569079524.db2.gz HCWUSWBRRLWJEX-REWPJTCUSA-N 1 2 419.569 3.769 50 0 HHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(C)c1 ZINC000006729935 569102737 /nfs/dbraw/zinc/10/27/37/569102737.db2.gz BSSFGZMZAJAGOB-INIZCTEOSA-N 1 2 415.559 3.940 50 0 HHAALO CC[C@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036252006 569119518 /nfs/dbraw/zinc/11/95/18/569119518.db2.gz AMUZNHQRVDBKRV-JXFKEZNVSA-N 1 2 405.970 3.571 50 0 HHAALO CC(C)C(=O)N1CC[NH+]([C@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252366 569119670 /nfs/dbraw/zinc/11/96/70/569119670.db2.gz WUCQXTAMKZUSRY-GOTSBHOMSA-N 1 2 411.590 3.539 50 0 HHAALO Cc1ccc(C)c(N2CC[NH+](Cc3nc(-c4ccc(N5CCCC5)nc4)no3)CC2)c1 ZINC000065215877 569197674 /nfs/dbraw/zinc/19/76/74/569197674.db2.gz YXGFNZLDSOEHMC-UHFFFAOYSA-N 1 2 418.545 3.671 50 0 HHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc4c(c3)OCO4)C2)nc[nH+]1 ZINC000065242376 569205846 /nfs/dbraw/zinc/20/58/46/569205846.db2.gz KLUJQXYITIKTAU-MRXNPFEDSA-N 1 2 411.506 3.663 50 0 HHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc4c(c3)OCO4)C2)[nH+]cn1 ZINC000065242376 569205847 /nfs/dbraw/zinc/20/58/47/569205847.db2.gz KLUJQXYITIKTAU-MRXNPFEDSA-N 1 2 411.506 3.663 50 0 HHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc4c(c3)OCO4)C2)nc[nH+]1 ZINC000065242377 569205849 /nfs/dbraw/zinc/20/58/49/569205849.db2.gz KLUJQXYITIKTAU-INIZCTEOSA-N 1 2 411.506 3.663 50 0 HHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc4c(c3)OCO4)C2)[nH+]cn1 ZINC000065242377 569205850 /nfs/dbraw/zinc/20/58/50/569205850.db2.gz KLUJQXYITIKTAU-INIZCTEOSA-N 1 2 411.506 3.663 50 0 HHAALO Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)c12 ZINC000036618974 569210436 /nfs/dbraw/zinc/21/04/36/569210436.db2.gz BUCVHYYYJAZZEV-UHFFFAOYSA-N 1 2 417.404 3.509 50 0 HHAALO C[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050228 569211853 /nfs/dbraw/zinc/21/18/53/569211853.db2.gz PELSCAYFEVFNHP-CYBMUJFWSA-N 1 2 406.305 3.674 50 0 HHAALO C[C@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050237 569211912 /nfs/dbraw/zinc/21/19/12/569211912.db2.gz AVKRIMIRESYTBD-ZDUSSCGKSA-N 1 2 411.405 3.810 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cc(F)ccc3F)CC2)nc[nH+]1 ZINC000065274214 569214851 /nfs/dbraw/zinc/21/48/51/569214851.db2.gz BWGBGJJUGPPLQO-UHFFFAOYSA-N 1 2 417.504 3.890 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cc(F)ccc3F)CC2)[nH+]cn1 ZINC000065274214 569214853 /nfs/dbraw/zinc/21/48/53/569214853.db2.gz BWGBGJJUGPPLQO-UHFFFAOYSA-N 1 2 417.504 3.890 50 0 HHAALO CC(C)(C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700211 569222609 /nfs/dbraw/zinc/22/26/09/569222609.db2.gz SYOHEJGDYOQGQO-JOCHJYFZSA-N 1 2 416.587 3.726 50 0 HHAALO CC(C)(C)c1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700211 569222610 /nfs/dbraw/zinc/22/26/10/569222610.db2.gz SYOHEJGDYOQGQO-JOCHJYFZSA-N 1 2 416.587 3.726 50 0 HHAALO CCCOc1c(Cl)cc(C(=O)N2CC[N@H+](Cc3cccnc3)C[C@@H]2C)cc1OC ZINC000170597626 569242224 /nfs/dbraw/zinc/24/22/24/569242224.db2.gz QUWLUEXHYPDZCT-INIZCTEOSA-N 1 2 417.937 3.879 50 0 HHAALO CCCOc1c(Cl)cc(C(=O)N2CC[N@@H+](Cc3cccnc3)C[C@@H]2C)cc1OC ZINC000170597626 569242225 /nfs/dbraw/zinc/24/22/25/569242225.db2.gz QUWLUEXHYPDZCT-INIZCTEOSA-N 1 2 417.937 3.879 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)NCCc1ccc(F)cc1 ZINC000013323437 569254881 /nfs/dbraw/zinc/25/48/81/569254881.db2.gz OVTZTAHQZORNIK-UHFFFAOYSA-N 1 2 410.320 3.613 50 0 HHAALO COc1cc(-c2noc(C[N@H+](C)[C@H]3CCCc4c3cnn4C)n2)ccc1OC(F)F ZINC000089745445 569263330 /nfs/dbraw/zinc/26/33/30/569263330.db2.gz TTZBYDXUQIWHCX-AWEZNQCLSA-N 1 2 419.432 3.590 50 0 HHAALO COc1cc(-c2noc(C[N@@H+](C)[C@H]3CCCc4c3cnn4C)n2)ccc1OC(F)F ZINC000089745445 569263332 /nfs/dbraw/zinc/26/33/32/569263332.db2.gz TTZBYDXUQIWHCX-AWEZNQCLSA-N 1 2 419.432 3.590 50 0 HHAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000017013903 569271757 /nfs/dbraw/zinc/27/17/57/569271757.db2.gz STZJSSRMQVKNOQ-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO CCc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000252020839 569272914 /nfs/dbraw/zinc/27/29/14/569272914.db2.gz YFMMOCVQZBMPGN-XSDIEEQYSA-N 1 2 422.912 3.738 50 0 HHAALO CCc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000252020839 569272915 /nfs/dbraw/zinc/27/29/15/569272915.db2.gz YFMMOCVQZBMPGN-XSDIEEQYSA-N 1 2 422.912 3.738 50 0 HHAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000007640711 569298018 /nfs/dbraw/zinc/29/80/18/569298018.db2.gz BKDIGTVUTUSJSL-UHFFFAOYSA-N 1 2 417.465 3.738 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000007640711 569298019 /nfs/dbraw/zinc/29/80/19/569298019.db2.gz BKDIGTVUTUSJSL-UHFFFAOYSA-N 1 2 417.465 3.738 50 0 HHAALO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000055226545 569394979 /nfs/dbraw/zinc/39/49/79/569394979.db2.gz BUMLRLBDPOEDHE-FQEVSTJZSA-N 1 2 413.905 3.609 50 0 HHAALO CSc1ccc(O[C@H](C)C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000328592412 569415384 /nfs/dbraw/zinc/41/53/84/569415384.db2.gz HZVBMZBWKDMRLD-WTNAPCKOSA-N 1 2 414.571 3.706 50 0 HHAALO CSc1ccc(O[C@H](C)C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000328592412 569415386 /nfs/dbraw/zinc/41/53/86/569415386.db2.gz HZVBMZBWKDMRLD-WTNAPCKOSA-N 1 2 414.571 3.706 50 0 HHAALO COc1ccc(C[NH2+]Cc2cccnc2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000079486203 569432095 /nfs/dbraw/zinc/43/20/95/569432095.db2.gz VFMILSOFNJHONP-UHFFFAOYSA-N 1 2 412.511 3.530 50 0 HHAALO CC(C)c1[nH]c2ccc(NC(=O)CCCCCn3nnc4ccccc4c3=O)cc2[nH+]1 ZINC000079502220 569433047 /nfs/dbraw/zinc/43/30/47/569433047.db2.gz JWKXCNRAYWPGQP-UHFFFAOYSA-N 1 2 418.501 3.990 50 0 HHAALO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000040096337 571161929 /nfs/dbraw/zinc/16/19/29/571161929.db2.gz KOYKWEWRSCPWBK-UHFFFAOYSA-N 1 2 400.567 3.705 50 0 HHAALO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000008940390 571166642 /nfs/dbraw/zinc/16/66/42/571166642.db2.gz ALAFQLZXUJVGDV-UHFFFAOYSA-N 1 2 423.513 3.548 50 0 HHAALO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000008940390 571166645 /nfs/dbraw/zinc/16/66/45/571166645.db2.gz ALAFQLZXUJVGDV-UHFFFAOYSA-N 1 2 423.513 3.548 50 0 HHAALO CCC(=O)N1CCc2cc(C(=O)Nc3nc(C[NH+]4CCC(C)CC4)cs3)ccc21 ZINC000040143575 571194093 /nfs/dbraw/zinc/19/40/93/571194093.db2.gz CMQWZLKAJMLUJV-UHFFFAOYSA-N 1 2 412.559 3.926 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000040145687 571195697 /nfs/dbraw/zinc/19/56/97/571195697.db2.gz YECXJCZWBGNBMG-LJQANCHMSA-N 1 2 418.563 3.836 50 0 HHAALO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000040154193 571201573 /nfs/dbraw/zinc/20/15/73/571201573.db2.gz SVVAIMJRJIEYJD-UHFFFAOYSA-N 1 2 412.494 3.525 50 0 HHAALO Cc1ccc2nc(-c3ccc(N4C(=[NH2+])S[C@@H]5CS(=O)(=O)C[C@H]54)cc3)sc2c1 ZINC000009487051 571262538 /nfs/dbraw/zinc/26/25/38/571262538.db2.gz ZNMWSWKDSXGIKF-NVXWUHKLSA-N 1 2 415.565 3.925 50 0 aggregator HHAALO CN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1nc2ccccc2s1 ZINC000007690497 961286271 /nfs/dbraw/zinc/28/62/71/961286271.db2.gz VECMTWJGOUPOPU-JXMROGBWSA-N 1 2 420.582 3.586 50 0 HHAALO Cc1cccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)[nH+]1 ZINC000013284839 962383518 /nfs/dbraw/zinc/38/35/18/962383518.db2.gz JKUDZQXCXDXROM-XDHOZWIPSA-N 1 2 413.433 3.754 50 0 HHAALO C[C@@H](CNC(=O)/C=C/c1ccccc1Cl)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000019742211 963374030 /nfs/dbraw/zinc/37/40/30/963374030.db2.gz QGYUCNIYTRHFIT-BBVFFXRHSA-N 1 2 414.933 3.769 50 0 HHAALO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000058161306 965643649 /nfs/dbraw/zinc/64/36/49/965643649.db2.gz YHKIXCOMWCQXAS-LHLOKTHNSA-N 1 2 406.526 3.716 50 0 HHAALO O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536619 969045686 /nfs/dbraw/zinc/04/56/86/969045686.db2.gz UFDHVYBQIBYRNX-DIXMKNLJSA-N 1 2 404.510 3.719 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1C ZINC000096675054 969050506 /nfs/dbraw/zinc/05/05/06/969050506.db2.gz BFLLWPHEMIXHOU-FNUUXAGOSA-N 1 2 423.557 3.710 50 0 HHAALO COc1cc(/C=C\C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000097674696 969180924 /nfs/dbraw/zinc/18/09/24/969180924.db2.gz BMRWZSSLYUPMON-MGDKSHQASA-N 1 2 407.470 3.789 50 0 HHAALO Cc1c[nH+]c(CO[C@@H]2CCCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)C2)n1C ZINC000257176403 970617107 /nfs/dbraw/zinc/61/71/07/970617107.db2.gz SPTKUCPRJNRYAB-LJQANCHMSA-N 1 2 407.518 3.557 50 0 HHAALO COc1ccc(C(=O)N2CCC(Cn3c(C)c[nH+]c3-c3cccnc3)CC2)c(OC)c1 ZINC000257192953 970624950 /nfs/dbraw/zinc/62/49/50/970624950.db2.gz WNVSTOFXWUNHDW-UHFFFAOYSA-N 1 2 420.513 3.823 50 0 HHAALO Fc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000001137423 132238575 /nfs/dbraw/zinc/23/85/75/132238575.db2.gz SJTOHXMRNGIAMK-UHFFFAOYSA-N 1 2 408.868 3.935 50 0 HHAALO C[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Cl)CC1 ZINC000004057973 132270591 /nfs/dbraw/zinc/27/05/91/132270591.db2.gz JAXHRWLWPCLFRN-UHFFFAOYSA-N 1 2 400.331 3.546 50 0 HHAALO Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cc2ccc(F)cc2)c(C)[nH+]1 ZINC000006834480 132318482 /nfs/dbraw/zinc/31/84/82/132318482.db2.gz CYMRDDWXTHOJLR-UHFFFAOYSA-N 1 2 422.479 3.925 50 0 HHAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000007360298 132324031 /nfs/dbraw/zinc/32/40/31/132324031.db2.gz LUGRDVARLSTYMO-UHFFFAOYSA-N 1 2 411.527 3.819 50 0 HHAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000007360298 132324033 /nfs/dbraw/zinc/32/40/33/132324033.db2.gz LUGRDVARLSTYMO-UHFFFAOYSA-N 1 2 411.527 3.819 50 0 HHAALO Cc1cc(N2CCN(C(=O)Cc3c(C)nc4ccccc4c3C)CC2)nc(C(C)C)[nH+]1 ZINC000011009929 132347121 /nfs/dbraw/zinc/34/71/21/132347121.db2.gz BENWEGCHTCRXGN-UHFFFAOYSA-N 1 2 417.557 3.965 50 0 HHAALO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1)c1ccccc1 ZINC000012414693 132359571 /nfs/dbraw/zinc/35/95/71/132359571.db2.gz NGUPPTMHFVVBAW-HXUWFJFHSA-N 1 2 417.557 3.879 50 0 HHAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1)c1ccccc1 ZINC000012414693 132359572 /nfs/dbraw/zinc/35/95/72/132359572.db2.gz NGUPPTMHFVVBAW-HXUWFJFHSA-N 1 2 417.557 3.879 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000012608937 132365237 /nfs/dbraw/zinc/36/52/37/132365237.db2.gz JYIKGULTXTZPHW-AWEZNQCLSA-N 1 2 411.399 3.874 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000032753454 523885426 /nfs/dbraw/zinc/88/54/26/523885426.db2.gz JLXJHRHHRQIFJK-HXUWFJFHSA-N 1 2 411.502 3.990 50 0 HHAALO C[N@H+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@@H](c2ccccc2)C1 ZINC000032753454 523885429 /nfs/dbraw/zinc/88/54/29/523885429.db2.gz JLXJHRHHRQIFJK-HXUWFJFHSA-N 1 2 411.502 3.990 50 0 HHAALO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1Cl ZINC000032237361 524287069 /nfs/dbraw/zinc/28/70/69/524287069.db2.gz XWCHLSMIGXUDSN-UHFFFAOYSA-N 1 2 414.933 3.697 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032759669 524896601 /nfs/dbraw/zinc/89/66/01/524896601.db2.gz UHUXTFMNIYTFRI-IBGZPJMESA-N 1 2 409.935 3.968 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032759669 524896611 /nfs/dbraw/zinc/89/66/11/524896611.db2.gz UHUXTFMNIYTFRI-IBGZPJMESA-N 1 2 409.935 3.968 50 0 HHAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000993562 527019605 /nfs/dbraw/zinc/01/96/05/527019605.db2.gz GBYRDWDZZPYLTJ-GOSISDBHSA-N 1 2 422.287 3.587 50 0 HHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)c(I)c1 ZINC000032637646 527150474 /nfs/dbraw/zinc/15/04/74/527150474.db2.gz HTBBRDZQZMBJTR-UHFFFAOYSA-N 1 2 424.629 3.778 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000032894999 527462760 /nfs/dbraw/zinc/46/27/60/527462760.db2.gz YELNVBWHIHKEPV-DYESRHJHSA-N 1 2 422.916 3.870 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000031890336 527508849 /nfs/dbraw/zinc/50/88/49/527508849.db2.gz LLRDRIKIZHLRAJ-CQSZACIVSA-N 1 2 418.950 3.774 50 0 HHAALO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000032195948 527572596 /nfs/dbraw/zinc/57/25/96/527572596.db2.gz QNGVFHIGIFTHTF-UHFFFAOYSA-N 1 2 424.516 3.822 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)CC1 ZINC000004658095 537072206 /nfs/dbraw/zinc/07/22/06/537072206.db2.gz MHGLGOFZSNURLH-UHFFFAOYSA-N 1 2 414.513 3.768 50 0 HHAALO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1Cl ZINC000001441709 557264554 /nfs/dbraw/zinc/26/45/54/557264554.db2.gz OUBVVHMXOBEPFG-LJQANCHMSA-N 1 2 408.889 3.728 50 0 HHAALO O=C(NCc1ccccn1)c1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000034669002 557362359 /nfs/dbraw/zinc/36/23/59/557362359.db2.gz ZCDBJEMYPGJYER-UHFFFAOYSA-N 1 2 406.555 3.923 50 0 HHAALO COCCCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906560 557473505 /nfs/dbraw/zinc/47/35/05/557473505.db2.gz JATYRNUPFMFMCS-FQEVSTJZSA-N 1 2 412.578 3.986 50 0 HHAALO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(F)c1 ZINC000034855490 557476977 /nfs/dbraw/zinc/47/69/77/557476977.db2.gz GDBRGBITWYMNJD-QRQCRPRQSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(F)c1 ZINC000034855490 557476979 /nfs/dbraw/zinc/47/69/79/557476979.db2.gz GDBRGBITWYMNJD-QRQCRPRQSA-N 1 2 415.509 3.650 50 0 HHAALO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)[nH+]c12 ZINC000002961170 557773113 /nfs/dbraw/zinc/77/31/13/557773113.db2.gz KZXDZFNAONGOIR-UHFFFAOYSA-N 1 2 407.495 3.956 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022767432 557815318 /nfs/dbraw/zinc/81/53/18/557815318.db2.gz SQVJALKGLAOSTP-SFHVURJKSA-N 1 2 404.582 3.888 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022767432 557815320 /nfs/dbraw/zinc/81/53/20/557815320.db2.gz SQVJALKGLAOSTP-SFHVURJKSA-N 1 2 404.582 3.888 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022767429 557815338 /nfs/dbraw/zinc/81/53/38/557815338.db2.gz SQVJALKGLAOSTP-GOSISDBHSA-N 1 2 404.582 3.888 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022767429 557815340 /nfs/dbraw/zinc/81/53/40/557815340.db2.gz SQVJALKGLAOSTP-GOSISDBHSA-N 1 2 404.582 3.888 50 0 HHAALO O[C@@H](Cn1c2ccccc2c2c1CCCC2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019757974 558274972 /nfs/dbraw/zinc/27/49/72/558274972.db2.gz QRHHLEHVTPUDHI-JOCHJYFZSA-N 1 2 403.570 3.699 50 0 HHAALO CC(C)n1c(SCC[NH+]2CCOCC2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000019797098 558284581 /nfs/dbraw/zinc/28/45/81/558284581.db2.gz BRQIUQHACDQQJJ-CQSZACIVSA-N 1 2 407.605 3.588 50 0 HHAALO COc1ccc(OC[C@@H]2CCC[N@H+](Cc3nc(COc4ccccc4)no3)C2)cc1 ZINC000011842700 558287647 /nfs/dbraw/zinc/28/76/47/558287647.db2.gz SCIGNYGNHXBDHQ-GOSISDBHSA-N 1 2 409.486 3.948 50 0 HHAALO COc1ccc(OC[C@@H]2CCC[N@@H+](Cc3nc(COc4ccccc4)no3)C2)cc1 ZINC000011842700 558287649 /nfs/dbraw/zinc/28/76/49/558287649.db2.gz SCIGNYGNHXBDHQ-GOSISDBHSA-N 1 2 409.486 3.948 50 0 HHAALO O=C(c1[nH]nc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011935484 558299464 /nfs/dbraw/zinc/29/94/64/558299464.db2.gz IUXJRQBVXSUARW-QHCPKHFHSA-N 1 2 410.468 3.969 50 0 HHAALO O=C(c1[nH]nc2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011935484 558299467 /nfs/dbraw/zinc/29/94/67/558299467.db2.gz IUXJRQBVXSUARW-QHCPKHFHSA-N 1 2 410.468 3.969 50 0 HHAALO Cc1cccn2cc(CNC(=O)c3cn(C(c4ccccc4)c4ccccc4)nn3)[nH+]c12 ZINC000011936458 558300558 /nfs/dbraw/zinc/30/05/58/558300558.db2.gz PLGKWINJHBJIJH-UHFFFAOYSA-N 1 2 422.492 3.802 50 0 HHAALO O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000019899886 558304830 /nfs/dbraw/zinc/30/48/30/558304830.db2.gz DWJNXYSRTRXLSS-FQEVSTJZSA-N 1 2 416.500 3.851 50 0 HHAALO CCCOc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000019909446 558306411 /nfs/dbraw/zinc/30/64/11/558306411.db2.gz GXNIYARYECLXBS-UHFFFAOYSA-N 1 2 408.951 3.635 50 0 HHAALO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000019922565 558307380 /nfs/dbraw/zinc/30/73/80/558307380.db2.gz BSVSVGCXBLVXSP-UHFFFAOYSA-N 1 2 419.319 3.932 50 0 HHAALO O=C(Cn1c(C[NH+]2CCCC2)nc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 ZINC000019982014 558317386 /nfs/dbraw/zinc/31/73/86/558317386.db2.gz TYPXEIVQTJXSGP-UHFFFAOYSA-N 1 2 422.554 3.571 50 0 HHAALO CC(C)Cc1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020191785 558344483 /nfs/dbraw/zinc/34/44/83/558344483.db2.gz VLLXGZXRDXJSRA-UHFFFAOYSA-N 1 2 411.575 3.671 50 0 HHAALO COc1cccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020254681 558351899 /nfs/dbraw/zinc/35/18/99/558351899.db2.gz LRKGMZIXKKLEDK-UHFFFAOYSA-N 1 2 422.550 3.791 50 0 HHAALO Cc1c(Cl)ccc2c(C(=O)NCC[NH+]3CCOCC3)cc(-c3ccccc3)nc12 ZINC000020295535 558354567 /nfs/dbraw/zinc/35/45/67/558354567.db2.gz IKJITZJJBJFDAC-UHFFFAOYSA-N 1 2 409.917 3.926 50 0 HHAALO Cc1nnc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000020352227 558356815 /nfs/dbraw/zinc/35/68/15/558356815.db2.gz DJENNZCRLCIVTO-UHFFFAOYSA-N 1 2 403.442 3.591 50 0 HHAALO Cc1nnc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000020352227 558356817 /nfs/dbraw/zinc/35/68/17/558356817.db2.gz DJENNZCRLCIVTO-UHFFFAOYSA-N 1 2 403.442 3.591 50 0 HHAALO CC(C)Sc1nc2sc3c(c2c(NCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020395251 558359851 /nfs/dbraw/zinc/35/98/51/558359851.db2.gz RIAALXQQJGPAAM-UHFFFAOYSA-N 1 2 422.620 3.787 50 0 HHAALO CC(C)CC(=O)Nc1ccccc1N1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000020468503 558374258 /nfs/dbraw/zinc/37/42/58/558374258.db2.gz OOAZXAHHALRGLT-UHFFFAOYSA-N 1 2 405.546 3.880 50 0 HHAALO COC(=O)C1C(C[NH2+]Cc2ccccc2Cl)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000020500981 558380801 /nfs/dbraw/zinc/38/08/01/558380801.db2.gz QGWPETSUOQEIPU-HXUWFJFHSA-N 1 2 413.905 3.528 50 0 HHAALO O=C1c2ccccc2/C(=C\NCCCn2cc[nH+]c2)C(=O)N1c1ccc(Cl)cc1 ZINC000020675571 558399668 /nfs/dbraw/zinc/39/96/68/558399668.db2.gz OEQNLMHMCKPTIC-XSFVSMFZSA-N 1 2 406.873 3.744 50 0 HHAALO COc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000004341544 558425236 /nfs/dbraw/zinc/42/52/36/558425236.db2.gz ZAJXHFMBWPUSAI-UHFFFAOYSA-N 1 2 409.446 3.694 50 0 HHAALO COc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1OC ZINC000021005471 558428460 /nfs/dbraw/zinc/42/84/60/558428460.db2.gz RUPAFOJTTFVQHI-UHFFFAOYSA-N 1 2 423.538 3.785 50 0 HHAALO COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022063166 558460807 /nfs/dbraw/zinc/46/08/07/558460807.db2.gz VWBHKDTUFTUOTG-UHFFFAOYSA-N 1 2 415.342 3.509 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000022749898 558507243 /nfs/dbraw/zinc/50/72/43/558507243.db2.gz NQXFYHJDWCHDMY-HXUWFJFHSA-N 1 2 421.888 3.962 50 0 HHAALO C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022772373 558508646 /nfs/dbraw/zinc/50/86/46/558508646.db2.gz VDQRNUAYDMAWBT-LLVKDONJSA-N 1 2 417.884 3.964 50 0 HHAALO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000022820777 558514542 /nfs/dbraw/zinc/51/45/42/558514542.db2.gz BTQCCNGKCVOILG-IBGZPJMESA-N 1 2 421.541 3.753 50 0 HHAALO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023239354 558544830 /nfs/dbraw/zinc/54/48/30/558544830.db2.gz KFRTVSKBUDVEON-UHFFFAOYSA-N 1 2 420.542 3.515 50 0 HHAALO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023239354 558544832 /nfs/dbraw/zinc/54/48/32/558544832.db2.gz KFRTVSKBUDVEON-UHFFFAOYSA-N 1 2 420.542 3.515 50 0 HHAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cc(C)nc4ccc(C)cc43)CC2)cc1 ZINC000023640787 558564256 /nfs/dbraw/zinc/56/42/56/558564256.db2.gz PNCVGFMBJKTXMJ-UHFFFAOYSA-N 1 2 419.525 3.697 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000023774381 558575714 /nfs/dbraw/zinc/57/57/14/558575714.db2.gz MHJSVBCHHGYUHS-OAQYLSRUSA-N 1 2 417.513 3.570 50 0 HHAALO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023873044 558578928 /nfs/dbraw/zinc/57/89/28/558578928.db2.gz DHOFJYXUKRKKSK-UHFFFAOYSA-N 1 2 408.429 3.772 50 0 HHAALO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000023908042 558580906 /nfs/dbraw/zinc/58/09/06/558580906.db2.gz YGVZAZVBGQISJO-UHFFFAOYSA-N 1 2 409.467 3.648 50 0 HHAALO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000023908042 558580910 /nfs/dbraw/zinc/58/09/10/558580910.db2.gz YGVZAZVBGQISJO-UHFFFAOYSA-N 1 2 409.467 3.648 50 0 HHAALO c1nn2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cnc2c1-c1ccccc1 ZINC000013819807 558596350 /nfs/dbraw/zinc/59/63/50/558596350.db2.gz SKZQZGSPYYHTQG-UHFFFAOYSA-N 1 2 400.482 3.774 50 0 in-vitro HHAALO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000024976678 558623740 /nfs/dbraw/zinc/62/37/40/558623740.db2.gz JAAUSLCLYOEQQE-INIZCTEOSA-N 1 2 419.928 3.941 50 0 HHAALO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1F ZINC000025052258 558628868 /nfs/dbraw/zinc/62/88/68/558628868.db2.gz XZERYMOTJAQRDF-QGZVFWFLSA-N 1 2 420.868 3.569 50 0 HHAALO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1F ZINC000025052258 558628872 /nfs/dbraw/zinc/62/88/72/558628872.db2.gz XZERYMOTJAQRDF-QGZVFWFLSA-N 1 2 420.868 3.569 50 0 HHAALO COc1ccc([C@@H](NC(=O)Cc2nc(-c3cccs3)oc2C)c2[nH+]ccn2C)cc1 ZINC000025075263 558630522 /nfs/dbraw/zinc/63/05/22/558630522.db2.gz IANCKXYZJFUGSH-HXUWFJFHSA-N 1 2 422.510 3.902 50 0 HHAALO Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000026067875 558654645 /nfs/dbraw/zinc/65/46/45/558654645.db2.gz CGQZHCJVEROLHK-GOSISDBHSA-N 1 2 405.926 3.780 50 0 HHAALO O[C@@H](C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000026900165 558666529 /nfs/dbraw/zinc/66/65/29/558666529.db2.gz OAWABQDOZLLGIG-INIZCTEOSA-N 1 2 403.807 3.749 50 0 HHAALO Cc1cc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)s3)CC2)nc(C(C)C)[nH+]1 ZINC000027016791 558668279 /nfs/dbraw/zinc/66/82/79/558668279.db2.gz NWBRPLSJIQRUMQ-UHFFFAOYSA-N 1 2 420.966 3.935 50 0 HHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000027143820 558670123 /nfs/dbraw/zinc/67/01/23/558670123.db2.gz LNLYIHXIIHJTOK-FQEVSTJZSA-N 1 2 406.448 3.746 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039303 558704005 /nfs/dbraw/zinc/70/40/05/558704005.db2.gz AHXRINSJCVBZIL-UHFFFAOYSA-N 1 2 417.937 3.564 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015039303 558704007 /nfs/dbraw/zinc/70/40/07/558704007.db2.gz AHXRINSJCVBZIL-UHFFFAOYSA-N 1 2 417.937 3.564 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000028787936 558704586 /nfs/dbraw/zinc/70/45/86/558704586.db2.gz IMTKZCFJSFKTSP-QFIPXVFZSA-N 1 2 412.493 3.672 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000028787936 558704589 /nfs/dbraw/zinc/70/45/89/558704589.db2.gz IMTKZCFJSFKTSP-QFIPXVFZSA-N 1 2 412.493 3.672 50 0 HHAALO C[N@H+](CC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1)Cc1ccncc1 ZINC000015062214 558705004 /nfs/dbraw/zinc/70/50/04/558705004.db2.gz YMUFRAYWGKSXIY-HSZRJFAPSA-N 1 2 401.510 3.788 50 0 HHAALO C[N@@H+](CC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1)Cc1ccncc1 ZINC000015062214 558705007 /nfs/dbraw/zinc/70/50/07/558705007.db2.gz YMUFRAYWGKSXIY-HSZRJFAPSA-N 1 2 401.510 3.788 50 0 HHAALO O=S(=O)(NC1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000029933297 558724383 /nfs/dbraw/zinc/72/43/83/558724383.db2.gz DAFDVIMTCHOGCJ-UHFFFAOYSA-N 1 2 400.878 3.561 50 0 HHAALO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3Br)CC2)cc1 ZINC000035246598 558789309 /nfs/dbraw/zinc/78/93/09/558789309.db2.gz QCFBDQSHLKFOGJ-UHFFFAOYSA-N 1 2 403.320 3.948 50 0 in-vitro HHAALO COc1ccc([C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)c2[nH+]ccn2C)cc1 ZINC000016472819 558793065 /nfs/dbraw/zinc/79/30/65/558793065.db2.gz CHVCTDGUYSYVTQ-IBGZPJMESA-N 1 2 403.404 3.896 50 0 HHAALO CCN(C[C@H]1CCCO1)C(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000039353918 558820295 /nfs/dbraw/zinc/82/02/95/558820295.db2.gz ULUAOAVCPODDNL-YKSBVNFPSA-N 1 2 424.541 3.658 50 0 HHAALO CCN(C[C@H]1CCCO1)C(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000039353918 558820297 /nfs/dbraw/zinc/82/02/97/558820297.db2.gz ULUAOAVCPODDNL-YKSBVNFPSA-N 1 2 424.541 3.658 50 0 HHAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1F)C2 ZINC000018223042 558834152 /nfs/dbraw/zinc/83/41/52/558834152.db2.gz GVFONCALCWAOSM-KRWDZBQOSA-N 1 2 417.488 3.558 50 0 HHAALO COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4[nH]c5ccccc5[nH+]4)CC3)c2c1 ZINC000033070980 558866339 /nfs/dbraw/zinc/86/63/39/558866339.db2.gz JTUQGHHXTJFZLS-UHFFFAOYSA-N 1 2 417.513 3.628 50 0 biogenic HHAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)[nH+]1 ZINC000033078173 558867745 /nfs/dbraw/zinc/86/77/45/558867745.db2.gz QTGCRLUWGFGZGT-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000055199109 558875741 /nfs/dbraw/zinc/87/57/41/558875741.db2.gz YRKRHPPRSQTLGT-UHFFFAOYSA-N 1 2 402.498 3.942 50 0 HHAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055244200 558877322 /nfs/dbraw/zinc/87/73/22/558877322.db2.gz NSPWDSOGKZDLFE-UHFFFAOYSA-N 1 2 403.408 3.781 50 0 HHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1COc2ccccc2O1 ZINC000055255012 558877840 /nfs/dbraw/zinc/87/78/40/558877840.db2.gz OTXNYMAEFXHVEH-INIZCTEOSA-N 1 2 419.403 3.951 50 0 HHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1COc2ccccc2O1 ZINC000055255012 558877843 /nfs/dbraw/zinc/87/78/43/558877843.db2.gz OTXNYMAEFXHVEH-INIZCTEOSA-N 1 2 419.403 3.951 50 0 HHAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038467 558896540 /nfs/dbraw/zinc/89/65/40/558896540.db2.gz DULLNMIAXAEWIK-HXUWFJFHSA-N 1 2 413.905 3.643 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058038467 558896543 /nfs/dbraw/zinc/89/65/43/558896543.db2.gz DULLNMIAXAEWIK-HXUWFJFHSA-N 1 2 413.905 3.643 50 0 HHAALO Cc1cccn2cc(CNC(=O)c3coc(COc4cccc5cccnc54)n3)[nH+]c12 ZINC000071315246 558896918 /nfs/dbraw/zinc/89/69/18/558896918.db2.gz NMFAXYNJJGGNAR-UHFFFAOYSA-N 1 2 413.437 3.688 50 0 HHAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 ZINC000058138225 558901280 /nfs/dbraw/zinc/90/12/80/558901280.db2.gz UEWSVSIOCBHCKV-UHFFFAOYSA-N 1 2 422.554 3.888 50 0 HHAALO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000058172388 558908273 /nfs/dbraw/zinc/90/82/73/558908273.db2.gz WOAWLGZUECRSFJ-CYBMUJFWSA-N 1 2 415.515 3.671 50 0 HHAALO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000058172388 558908276 /nfs/dbraw/zinc/90/82/76/558908276.db2.gz WOAWLGZUECRSFJ-CYBMUJFWSA-N 1 2 415.515 3.671 50 0 HHAALO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000058175135 558909157 /nfs/dbraw/zinc/90/91/57/558909157.db2.gz INATUVJHHCLGRD-MRXNPFEDSA-N 1 2 417.513 3.881 50 0 HHAALO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000058175133 558909191 /nfs/dbraw/zinc/90/91/91/558909191.db2.gz INATUVJHHCLGRD-INIZCTEOSA-N 1 2 417.513 3.881 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178113 558909877 /nfs/dbraw/zinc/90/98/77/558909877.db2.gz QPFXJIUNTDIXLG-UYAOXDASSA-N 1 2 403.320 3.976 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178113 558909878 /nfs/dbraw/zinc/90/98/78/558909878.db2.gz QPFXJIUNTDIXLG-UYAOXDASSA-N 1 2 403.320 3.976 50 0 HHAALO O=C(NC[C@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1)Nc1ccccc1 ZINC000058315688 558919447 /nfs/dbraw/zinc/91/94/47/558919447.db2.gz DROHMPNDEXXKLE-HXUWFJFHSA-N 1 2 405.502 3.837 50 0 HHAALO O=C(NC[C@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2)no1)Nc1ccccc1 ZINC000058315688 558919448 /nfs/dbraw/zinc/91/94/48/558919448.db2.gz DROHMPNDEXXKLE-HXUWFJFHSA-N 1 2 405.502 3.837 50 0 HHAALO C[C@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000058393468 558923702 /nfs/dbraw/zinc/92/37/02/558923702.db2.gz RRJLMDWKXJGDOB-CYBMUJFWSA-N 1 2 411.468 3.592 50 0 HHAALO Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CCC2)cc1 ZINC000058434259 558926894 /nfs/dbraw/zinc/92/68/94/558926894.db2.gz QZQJYXXWGRPLPH-UHFFFAOYSA-N 1 2 413.474 3.655 50 0 HHAALO NC(=O)COc1ccc(C2N(Cc3ccccc3)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000059398942 558935267 /nfs/dbraw/zinc/93/52/67/558935267.db2.gz IFVNQPNNUNIIDR-UHFFFAOYSA-N 1 2 415.537 3.957 50 0 HHAALO NC(=O)COc1ccc(C2N(Cc3ccccc3)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000059398942 558935269 /nfs/dbraw/zinc/93/52/69/558935269.db2.gz IFVNQPNNUNIIDR-UHFFFAOYSA-N 1 2 415.537 3.957 50 0 HHAALO O=C(c1ccco1)N(CCC[NH+]1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000022997764 558982085 /nfs/dbraw/zinc/98/20/85/558982085.db2.gz NWCPHPHQDRDGAM-UHFFFAOYSA-N 1 2 407.442 3.537 50 0 HHAALO O=C(c1cc(Br)ccc1O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022018995 558984170 /nfs/dbraw/zinc/98/41/70/558984170.db2.gz ZAOXHUCKHDHWIG-QPJJXVBHSA-N 1 2 401.304 3.626 50 0 HHAALO Cc1ccc(-c2nc(S[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)n[nH]2)cc1 ZINC000022025147 558985018 /nfs/dbraw/zinc/98/50/18/558985018.db2.gz MRZIBVNMCGQSKY-SFHVURJKSA-N 1 2 421.570 3.605 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1C ZINC000023108181 559010984 /nfs/dbraw/zinc/01/09/84/559010984.db2.gz FFTNCSCVRORAHP-XMMPIXPASA-N 1 2 424.566 3.808 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)c(C)c1 ZINC000023108187 559010995 /nfs/dbraw/zinc/01/09/95/559010995.db2.gz CNVHDADASKENJE-HSZRJFAPSA-N 1 2 424.566 3.808 50 0 HHAALO COc1ccc(NC(=O)C2CC[NH+](Cc3noc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000033327684 559060479 /nfs/dbraw/zinc/06/04/79/559060479.db2.gz FPJBXQBYGBKMDE-UHFFFAOYSA-N 1 2 406.486 3.904 50 0 HHAALO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000091906464 559074587 /nfs/dbraw/zinc/07/45/87/559074587.db2.gz SOGODJQLVCPGFU-QFIPXVFZSA-N 1 2 401.528 3.664 50 0 HHAALO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000091906464 559074588 /nfs/dbraw/zinc/07/45/88/559074588.db2.gz SOGODJQLVCPGFU-QFIPXVFZSA-N 1 2 401.528 3.664 50 0 HHAALO O=C1C[C@@H](SCCc2[nH]c3ccccc3[nH+]2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100774936 559140473 /nfs/dbraw/zinc/14/04/73/559140473.db2.gz XHWSBCIMTXDORR-MRXNPFEDSA-N 1 2 403.866 3.963 50 0 HHAALO O=C(c1ccc(F)cc1F)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695733 559188934 /nfs/dbraw/zinc/18/89/34/559188934.db2.gz KMIXTIFXJJRDOJ-UHFFFAOYSA-N 1 2 402.832 3.766 50 0 HHAALO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000206829778 560747286 /nfs/dbraw/zinc/74/72/86/560747286.db2.gz XHAXGXOQTDONCZ-LJQANCHMSA-N 1 2 413.930 3.959 50 0 HHAALO COc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000013095754 560793754 /nfs/dbraw/zinc/79/37/54/560793754.db2.gz BMRWZSSLYUPMON-YKXBDCQTSA-N 1 2 407.470 3.789 50 0 HHAALO COC(=O)C1C(C[N@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318341 560858742 /nfs/dbraw/zinc/85/87/42/560858742.db2.gz BZQAOKDKOIFBGQ-QHCPKHFHSA-N 1 2 417.509 3.565 50 0 HHAALO COC(=O)C1C(C[N@@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318341 560858743 /nfs/dbraw/zinc/85/87/43/560858743.db2.gz BZQAOKDKOIFBGQ-QHCPKHFHSA-N 1 2 417.509 3.565 50 0 HHAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)N[C@H](C)c4ccc(F)cc4)CC3)n2)n1 ZINC000049411613 568450185 /nfs/dbraw/zinc/45/01/85/568450185.db2.gz SZAZJDTTXFMPJL-QGZVFWFLSA-N 1 2 422.508 3.512 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000020485681 568612850 /nfs/dbraw/zinc/61/28/50/568612850.db2.gz XTFONEFLPIUPRW-QHCPKHFHSA-N 1 2 410.537 3.781 50 0 HHAALO CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000095453973 568616041 /nfs/dbraw/zinc/61/60/41/568616041.db2.gz XEBKMVOAVUHRJV-QGZVFWFLSA-N 1 2 418.582 3.551 50 0 HHAALO CCc1c(C)sc2nc(SCCCn3cc[nH+]c3)n(C[C@H]3CCCO3)c(=O)c12 ZINC000095468081 568625070 /nfs/dbraw/zinc/62/50/70/568625070.db2.gz VAAIOXYJKRBTON-OAHLLOKOSA-N 1 2 418.588 3.887 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(Br)cc3c1OCOC3)CC2 ZINC000020756176 568641463 /nfs/dbraw/zinc/64/14/63/568641463.db2.gz AOEJEWJXBZOMHS-UHFFFAOYSA-N 1 2 420.303 3.891 50 0 biogenic HHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(Br)cc3c1OCOC3)CC2 ZINC000020756176 568641464 /nfs/dbraw/zinc/64/14/64/568641464.db2.gz AOEJEWJXBZOMHS-UHFFFAOYSA-N 1 2 420.303 3.891 50 0 biogenic HHAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393190 568696406 /nfs/dbraw/zinc/69/64/06/568696406.db2.gz HVPGXOAUKPDTLM-UHFFFAOYSA-N 1 2 415.415 3.505 50 0 HHAALO COc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000096316899 568725895 /nfs/dbraw/zinc/72/58/95/568725895.db2.gz VMCYTFPZFOKXPT-UHFFFAOYSA-N 1 2 420.557 3.711 50 0 HHAALO CCNC(=O)N1CCN(c2nc(C3CC3)[nH+]c(CC)c2Cc2cc(C)ccc2C)CC1 ZINC000096317395 568726563 /nfs/dbraw/zinc/72/65/63/568726563.db2.gz BQXMSGQNAQVCMF-UHFFFAOYSA-N 1 2 421.589 3.976 50 0 HHAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000096317322 568726568 /nfs/dbraw/zinc/72/65/68/568726568.db2.gz GEMJEVGAYFPBAN-UHFFFAOYSA-N 1 2 406.574 3.941 50 0 HHAALO C[C@@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000085997932 568745411 /nfs/dbraw/zinc/74/54/11/568745411.db2.gz XECQAFPUIUQOFF-XXBNENTESA-N 1 2 420.582 3.821 50 0 HHAALO CCOc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000904737 568749730 /nfs/dbraw/zinc/74/97/30/568749730.db2.gz UJQONUJARMWLTQ-UHFFFAOYSA-N 1 2 405.483 3.945 50 0 HHAALO O=C(N[C@@H]1CCc2ccccc21)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724347 568751052 /nfs/dbraw/zinc/75/10/52/568751052.db2.gz GCKMNLPHDUKDRR-OAQYLSRUSA-N 1 2 420.488 3.891 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)no2)cc1 ZINC000021724547 568751204 /nfs/dbraw/zinc/75/12/04/568751204.db2.gz AGLPZYVTUYLPQA-OAQYLSRUSA-N 1 2 404.514 3.616 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)no2)cc1 ZINC000021724547 568751205 /nfs/dbraw/zinc/75/12/05/568751205.db2.gz AGLPZYVTUYLPQA-OAQYLSRUSA-N 1 2 404.514 3.616 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(C)ccc4O)C3)no2)cc1 ZINC000021724691 568751227 /nfs/dbraw/zinc/75/12/27/568751227.db2.gz MNGAGFPQTRNTKW-GOSISDBHSA-N 1 2 406.486 3.910 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(C)ccc4O)C3)no2)cc1 ZINC000021724691 568751229 /nfs/dbraw/zinc/75/12/29/568751229.db2.gz MNGAGFPQTRNTKW-GOSISDBHSA-N 1 2 406.486 3.910 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4O)C3)no2)cc1 ZINC000021724703 568751425 /nfs/dbraw/zinc/75/14/25/568751425.db2.gz KWZDNMBZSJLICK-SFHVURJKSA-N 1 2 406.486 3.910 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4O)C3)no2)cc1 ZINC000021724703 568751427 /nfs/dbraw/zinc/75/14/27/568751427.db2.gz KWZDNMBZSJLICK-SFHVURJKSA-N 1 2 406.486 3.910 50 0 HHAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4F)CC3)[nH+]c(C)n2)cc1 ZINC000021793933 568753203 /nfs/dbraw/zinc/75/32/03/568753203.db2.gz KOWKXYBLIJRSHF-UHFFFAOYSA-N 1 2 405.477 3.939 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(OC)c2OC)c1C ZINC000056851575 568819235 /nfs/dbraw/zinc/81/92/35/568819235.db2.gz JYLLRXIQXJZUMB-OAHLLOKOSA-N 1 2 402.491 3.529 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(OC)c2OC)c1C ZINC000056851575 568819237 /nfs/dbraw/zinc/81/92/37/568819237.db2.gz JYLLRXIQXJZUMB-OAHLLOKOSA-N 1 2 402.491 3.529 50 0 HHAALO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945291 568821527 /nfs/dbraw/zinc/82/15/27/568821527.db2.gz YFWKBANEGWFUGG-HSZRJFAPSA-N 1 2 419.525 3.972 50 0 HHAALO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945288 568821607 /nfs/dbraw/zinc/82/16/07/568821607.db2.gz YFWKBANEGWFUGG-QHCPKHFHSA-N 1 2 419.525 3.972 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 ZINC000056949960 568822186 /nfs/dbraw/zinc/82/21/86/568822186.db2.gz WFUMLXSPBUBAKI-UHFFFAOYSA-N 1 2 424.472 3.689 50 0 HHAALO FC(F)(F)c1cnc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000263640019 568824214 /nfs/dbraw/zinc/82/42/14/568824214.db2.gz TUEAJHFNYUOXGP-UHFFFAOYSA-N 1 2 413.827 3.800 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC000057327174 568827088 /nfs/dbraw/zinc/82/70/88/568827088.db2.gz KFSUZEJFDIHNLN-QGZVFWFLSA-N 1 2 415.559 3.716 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC000057327174 568827090 /nfs/dbraw/zinc/82/70/90/568827090.db2.gz KFSUZEJFDIHNLN-QGZVFWFLSA-N 1 2 415.559 3.716 50 0 HHAALO COc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)ccc1OCc1ccccc1 ZINC000057406582 568832768 /nfs/dbraw/zinc/83/27/68/568832768.db2.gz HNBGMAJFBKTXIE-UHFFFAOYSA-N 1 2 417.509 3.627 50 0 HHAALO CC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000001221531 568838851 /nfs/dbraw/zinc/83/88/51/568838851.db2.gz YLDMZYMKSATNGL-UHFFFAOYSA-N 1 2 403.467 3.749 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000012507405 568839696 /nfs/dbraw/zinc/83/96/96/568839696.db2.gz DTTQNXVOALVJGH-MRXNPFEDSA-N 1 2 417.250 3.544 50 0 HHAALO C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012507813 568839935 /nfs/dbraw/zinc/83/99/35/568839935.db2.gz KCRRGWJUWIWYPE-MRXNPFEDSA-N 1 2 408.527 3.663 50 0 HHAALO Cc1cccn2cc(COC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH+]c12 ZINC000012520255 568841157 /nfs/dbraw/zinc/84/11/57/568841157.db2.gz KFRYDLMEMDCENO-UHFFFAOYSA-N 1 2 411.889 3.892 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1 ZINC000012544387 568849672 /nfs/dbraw/zinc/84/96/72/568849672.db2.gz PLGLSYZVXLNPLG-INIZCTEOSA-N 1 2 417.250 3.544 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)c1 ZINC000030108984 568857855 /nfs/dbraw/zinc/85/78/55/568857855.db2.gz AUWWCKBCNDDZIO-UHFFFAOYSA-N 1 2 410.848 3.593 50 0 HHAALO Cc1cc(SCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000012608280 568871563 /nfs/dbraw/zinc/87/15/63/568871563.db2.gz COLRERSRESWPLJ-FQEVSTJZSA-N 1 2 421.566 3.653 50 0 HHAALO Cc1cc(SCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000012608280 568871564 /nfs/dbraw/zinc/87/15/64/568871564.db2.gz COLRERSRESWPLJ-FQEVSTJZSA-N 1 2 421.566 3.653 50 0 HHAALO C[C@H]1CCc2sc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc2C1 ZINC000012614515 568871724 /nfs/dbraw/zinc/87/17/24/568871724.db2.gz IHMJYDDHAYIFGY-INIZCTEOSA-N 1 2 411.571 3.706 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058136011 568890238 /nfs/dbraw/zinc/89/02/38/568890238.db2.gz ZBHMCGIHXLCSGL-HSZRJFAPSA-N 1 2 404.489 3.514 50 0 HHAALO COCCn1c(C)cc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1C ZINC000003550362 568914933 /nfs/dbraw/zinc/91/49/33/568914933.db2.gz ADUAHDZFCYWXBB-UHFFFAOYSA-N 1 2 421.526 3.855 50 0 HHAALO O=S(=O)(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000084581822 568951360 /nfs/dbraw/zinc/95/13/60/568951360.db2.gz RUTAJIICDUPOKV-OALUTQOASA-N 1 2 405.882 3.883 50 0 HHAALO Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3n2CCCCC3)cc1 ZINC000015677677 568965937 /nfs/dbraw/zinc/96/59/37/568965937.db2.gz GAQOLJYTUJBEAH-UHFFFAOYSA-N 1 2 415.541 3.942 50 0 HHAALO CCN(CC)c1nnc(-n2cccc2C[NH+]2CCN(c3ccc(F)cc3)CC2)s1 ZINC000015728181 568979255 /nfs/dbraw/zinc/97/92/55/568979255.db2.gz LUJSOUCNZUCUSV-UHFFFAOYSA-N 1 2 414.554 3.636 50 0 HHAALO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008346229 568994853 /nfs/dbraw/zinc/99/48/53/568994853.db2.gz XHQCBFUIWLQUTE-KRWDZBQOSA-N 1 2 407.489 3.944 50 0 HHAALO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008346229 568994854 /nfs/dbraw/zinc/99/48/54/568994854.db2.gz XHQCBFUIWLQUTE-KRWDZBQOSA-N 1 2 407.489 3.944 50 0 HHAALO O=C(Cc1cccs1)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000038597463 569002943 /nfs/dbraw/zinc/00/29/43/569002943.db2.gz LUKSIMRLYWMWMU-FQEVSTJZSA-N 1 2 413.518 3.702 50 0 HHAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205053 569003412 /nfs/dbraw/zinc/00/34/12/569003412.db2.gz KKDJBCNEHGHMKE-FQEVSTJZSA-N 1 2 413.905 3.643 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205053 569003413 /nfs/dbraw/zinc/00/34/13/569003413.db2.gz KKDJBCNEHGHMKE-FQEVSTJZSA-N 1 2 413.905 3.643 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@H]([C@@H](C)CC)[NH2+]C12CCN(C(=S)Nc1ccc(F)cc1)CC2 ZINC000253389987 569009896 /nfs/dbraw/zinc/00/98/96/569009896.db2.gz HZJRUVLRAICOKQ-FCEWJHQRSA-N 1 2 420.598 3.960 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)c2cc3c(cccc3F)s2)CC1)Nc1ccccc1 ZINC000012875466 569013576 /nfs/dbraw/zinc/01/35/76/569013576.db2.gz HLYUDSJFFDFYIZ-UHFFFAOYSA-N 1 2 411.502 3.873 50 0 HHAALO COc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1 ZINC000035403802 569035633 /nfs/dbraw/zinc/03/56/33/569035633.db2.gz CKJYDPYSCDVQHM-UHFFFAOYSA-N 1 2 416.525 3.595 50 0 HHAALO COc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1 ZINC000035403802 569035634 /nfs/dbraw/zinc/03/56/34/569035634.db2.gz CKJYDPYSCDVQHM-UHFFFAOYSA-N 1 2 416.525 3.595 50 0 HHAALO CCOc1ccccc1NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404086 569035664 /nfs/dbraw/zinc/03/56/64/569035664.db2.gz LXIGUYZDXPFVRB-UHFFFAOYSA-N 1 2 402.498 3.999 50 0 HHAALO CCOc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404086 569035665 /nfs/dbraw/zinc/03/56/65/569035665.db2.gz LXIGUYZDXPFVRB-UHFFFAOYSA-N 1 2 402.498 3.999 50 0 HHAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000035598177 569045833 /nfs/dbraw/zinc/04/58/33/569045833.db2.gz CREUNVSBWGRRNX-UHFFFAOYSA-N 1 2 424.461 3.654 50 0 HHAALO CN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000013010104 569049992 /nfs/dbraw/zinc/04/99/92/569049992.db2.gz MTSZFAGSPYVDMD-UHFFFAOYSA-N 1 2 421.570 3.677 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245329473 569056073 /nfs/dbraw/zinc/05/60/73/569056073.db2.gz ZJJGWZQWROXYET-ANULTFPQSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245329473 569056074 /nfs/dbraw/zinc/05/60/74/569056074.db2.gz ZJJGWZQWROXYET-ANULTFPQSA-N 1 2 422.912 3.792 50 0 HHAALO CCOC(=O)c1ccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)cc1 ZINC000064471840 569063479 /nfs/dbraw/zinc/06/34/79/569063479.db2.gz IVEQZWXKONTISH-UHFFFAOYSA-N 1 2 405.454 3.628 50 0 HHAALO COC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1 ZINC000064471871 569063506 /nfs/dbraw/zinc/06/35/06/569063506.db2.gz WWMVUCJDEBABCS-UHFFFAOYSA-N 1 2 407.495 3.954 50 0 HHAALO O=C(CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)Nc1ccccc1 ZINC000006586802 569067790 /nfs/dbraw/zinc/06/77/90/569067790.db2.gz ARJKXIXMPLGCMK-UHFFFAOYSA-N 1 2 407.543 3.653 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)C[C@H]3CCCCO3)csc2C1 ZINC000426550357 569073401 /nfs/dbraw/zinc/07/34/01/569073401.db2.gz DYJZXTMSYATBRF-MRXNPFEDSA-N 1 2 403.548 3.552 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)C[C@H]3CCCCO3)csc2C1 ZINC000426550357 569073402 /nfs/dbraw/zinc/07/34/02/569073402.db2.gz DYJZXTMSYATBRF-MRXNPFEDSA-N 1 2 403.548 3.552 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4c(C)n[nH]c4C)csc3C2)nc1 ZINC000426604572 569073613 /nfs/dbraw/zinc/07/36/13/569073613.db2.gz QRIYHDOWQLYMHO-UHFFFAOYSA-N 1 2 409.559 3.534 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4c(C)n[nH]c4C)csc3C2)nc1 ZINC000426604572 569073614 /nfs/dbraw/zinc/07/36/14/569073614.db2.gz QRIYHDOWQLYMHO-UHFFFAOYSA-N 1 2 409.559 3.534 50 0 HHAALO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@H](C(=O)NC3CC3)C3CCCC3)CC2)cc1 ZINC000036252650 569119701 /nfs/dbraw/zinc/11/97/01/569119701.db2.gz AIAJKQRLFTUNFY-QFIPXVFZSA-N 1 2 411.590 3.579 50 0 HHAALO CC[C@@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036252083 569119723 /nfs/dbraw/zinc/11/97/23/569119723.db2.gz DZLAOLUXDJWKRC-UZLBHIALSA-N 1 2 405.970 3.571 50 0 HHAALO COc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036311527 569132475 /nfs/dbraw/zinc/13/24/75/569132475.db2.gz HHJPSYHMWZVKOW-JOCHJYFZSA-N 1 2 413.562 3.527 50 0 HHAALO CSc1cccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c1 ZINC000065034914 569158520 /nfs/dbraw/zinc/15/85/20/569158520.db2.gz DTIDZTNJGGMEFI-UHFFFAOYSA-N 1 2 407.539 3.864 50 0 HHAALO CSc1cccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c1 ZINC000065034914 569158522 /nfs/dbraw/zinc/15/85/22/569158522.db2.gz DTIDZTNJGGMEFI-UHFFFAOYSA-N 1 2 407.539 3.864 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036447621 569184113 /nfs/dbraw/zinc/18/41/13/569184113.db2.gz MCICVZKYWURQIC-FQEVSTJZSA-N 1 2 411.552 3.755 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036447621 569184114 /nfs/dbraw/zinc/18/41/14/569184114.db2.gz MCICVZKYWURQIC-FQEVSTJZSA-N 1 2 411.552 3.755 50 0 HHAALO CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000071011195 569251045 /nfs/dbraw/zinc/25/10/45/569251045.db2.gz GFNWRJSZIQEFIB-UHFFFAOYSA-N 1 2 405.502 3.613 50 0 HHAALO COc1cc(-c2noc(C[N@H+](C)[C@@H]3CCCc4c3cnn4C)n2)ccc1OC(F)F ZINC000089745442 569263286 /nfs/dbraw/zinc/26/32/86/569263286.db2.gz TTZBYDXUQIWHCX-CQSZACIVSA-N 1 2 419.432 3.590 50 0 HHAALO COc1cc(-c2noc(C[N@@H+](C)[C@@H]3CCCc4c3cnn4C)n2)ccc1OC(F)F ZINC000089745442 569263287 /nfs/dbraw/zinc/26/32/87/569263287.db2.gz TTZBYDXUQIWHCX-CQSZACIVSA-N 1 2 419.432 3.590 50 0 HHAALO CCNC(=O)N1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sc(C)cn23)CC1 ZINC000037399487 569297443 /nfs/dbraw/zinc/29/74/43/569297443.db2.gz KUZBYPHWEIMRBF-UHFFFAOYSA-N 1 2 417.966 3.872 50 0 HHAALO Cc1cc(C)cc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=S)c1 ZINC000009109235 569391529 /nfs/dbraw/zinc/39/15/29/569391529.db2.gz DFRAKKUHVVGWDS-HXUWFJFHSA-N 1 2 418.522 3.934 50 0 biogenic HHAALO Cc1cccc(OCC[NH+]2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000013056291 569408096 /nfs/dbraw/zinc/40/80/96/569408096.db2.gz GGRMJULVDQHKEO-UHFFFAOYSA-N 1 2 416.587 3.678 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000078737302 569420167 /nfs/dbraw/zinc/42/01/67/569420167.db2.gz USYKLHIKPBHRSL-GOSISDBHSA-N 1 2 402.445 3.980 50 0 HHAALO CCOC(=O)N1CC[NH+](Cc2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000019880166 569433072 /nfs/dbraw/zinc/43/30/72/569433072.db2.gz YJRKXIICCRGHGA-UHFFFAOYSA-N 1 2 401.532 3.891 50 0 HHAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000038671801 571060625 /nfs/dbraw/zinc/06/06/25/571060625.db2.gz VOPJPYXWFXDMLM-CNXQINBVSA-N 1 2 405.498 3.803 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1OC[C@H]1CCCO1 ZINC000040013756 571138671 /nfs/dbraw/zinc/13/86/71/571138671.db2.gz IVBDSIQXABUBRT-QGZVFWFLSA-N 1 2 401.532 3.939 50 0 HHAALO C[C@@H](c1nc2ccccc2n1C(F)F)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000040037349 571141692 /nfs/dbraw/zinc/14/16/92/571141692.db2.gz GCHYULKEQLHFBV-KRWDZBQOSA-N 1 2 419.520 3.513 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040095107 571162097 /nfs/dbraw/zinc/16/20/97/571162097.db2.gz AIRJGQAYZPDTRP-UHFFFAOYSA-N 1 2 414.815 3.912 50 0 HHAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000040099120 571162764 /nfs/dbraw/zinc/16/27/64/571162764.db2.gz CCDQOOFAMDDUDH-UHFFFAOYSA-N 1 2 424.545 3.933 50 0 HHAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000040099120 571162765 /nfs/dbraw/zinc/16/27/65/571162765.db2.gz CCDQOOFAMDDUDH-UHFFFAOYSA-N 1 2 424.545 3.933 50 0 HHAALO Cc1cc(N2CCN(C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000040144532 571194672 /nfs/dbraw/zinc/19/46/72/571194672.db2.gz PICKMTNGYSMWDO-UHFFFAOYSA-N 1 2 412.582 3.946 50 0 HHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000245237276 571219398 /nfs/dbraw/zinc/21/93/98/571219398.db2.gz HSPPQZKLKPXMJC-SJLPKXTDSA-N 1 2 418.559 3.624 50 0 HHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000245237276 571219399 /nfs/dbraw/zinc/21/93/99/571219399.db2.gz HSPPQZKLKPXMJC-SJLPKXTDSA-N 1 2 418.559 3.624 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c1 ZINC000009127263 571226720 /nfs/dbraw/zinc/22/67/20/571226720.db2.gz IDETVHXOORAPHI-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c1 ZINC000009127263 571226722 /nfs/dbraw/zinc/22/67/22/571226722.db2.gz IDETVHXOORAPHI-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO CCn1c(SCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nnc1-c1ccccc1O ZINC000009187515 571235095 /nfs/dbraw/zinc/23/50/95/571235095.db2.gz CVSCQTDCQCRQHQ-UHFFFAOYSA-N 1 2 408.487 3.586 50 0 HHAALO C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378138 571253295 /nfs/dbraw/zinc/25/32/95/571253295.db2.gz CPZPZJCZKIVFBH-UYAOXDASSA-N 1 2 417.513 3.994 50 0 HHAALO Cc1ccc(CN2C(SCCCc3ccccc3)=[NH+][C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009477060 571261673 /nfs/dbraw/zinc/26/16/73/571261673.db2.gz AXBGTAYQPPZYLV-RTWAWAEBSA-N 1 2 414.596 3.698 50 0 HHAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000009513031 571264356 /nfs/dbraw/zinc/26/43/56/571264356.db2.gz KJZIJVAGLWZFCU-NRFANRHFSA-N 1 2 416.543 3.655 50 0 HHAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000009513031 571264358 /nfs/dbraw/zinc/26/43/58/571264358.db2.gz KJZIJVAGLWZFCU-NRFANRHFSA-N 1 2 416.543 3.655 50 0 HHAALO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987475 960968914 /nfs/dbraw/zinc/96/89/14/960968914.db2.gz VDGVQAAXCOEVRA-JXMROGBWSA-N 1 2 406.530 3.527 50 0 HHAALO CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000012540180 962291805 /nfs/dbraw/zinc/29/18/05/962291805.db2.gz FMZVWLPXBUVWGQ-JXMROGBWSA-N 1 2 403.442 3.967 50 0 HHAALO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2c[nH]cn2)CC1)N1CCCCC1 ZINC000015079147 962651795 /nfs/dbraw/zinc/65/17/95/962651795.db2.gz DBGFLVAMTVCRLE-UHFFFAOYSA-N 1 2 402.926 3.733 50 0 HHAALO COc1ccc(-c2coc3cc(OC(=O)[C@@H]([NH3+])Cc4ccccc4)ccc3c2=O)cc1 ZINC000022589081 963682281 /nfs/dbraw/zinc/68/22/81/963682281.db2.gz QCFHTTMYZNYKII-QFIPXVFZSA-N 1 2 415.445 3.944 50 0 HHAALO CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000039364271 966492404 /nfs/dbraw/zinc/49/24/04/966492404.db2.gz SYQRIQYJBZINKB-HXUWFJFHSA-N 1 2 408.567 3.888 50 0 HHAALO CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000039364271 966492411 /nfs/dbraw/zinc/49/24/11/966492411.db2.gz SYQRIQYJBZINKB-HXUWFJFHSA-N 1 2 408.567 3.888 50 0 HHAALO O=C(/C=C\c1ccc2c(c1)OCCCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096536618 969045452 /nfs/dbraw/zinc/04/54/52/969045452.db2.gz UFDHVYBQIBYRNX-SGLRTJAWSA-N 1 2 404.510 3.719 50 0 HHAALO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536658 969045893 /nfs/dbraw/zinc/04/58/93/969045893.db2.gz YHKIXCOMWCQXAS-DTDCAFGESA-N 1 2 406.526 3.716 50 0 HHAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc2nsnc2c1 ZINC000200553100 970004770 /nfs/dbraw/zinc/00/47/70/970004770.db2.gz QATMBPKLQVITRG-NRFANRHFSA-N 1 2 418.526 3.870 50 0 HHAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc2nsnc2c1 ZINC000200553100 970004776 /nfs/dbraw/zinc/00/47/76/970004776.db2.gz QATMBPKLQVITRG-NRFANRHFSA-N 1 2 418.526 3.870 50 0 HHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004322983 132275264 /nfs/dbraw/zinc/27/52/64/132275264.db2.gz PFEXSRWQGXZRNS-UHFFFAOYSA-N 1 2 408.868 3.935 50 0 HHAALO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000012507952 132361130 /nfs/dbraw/zinc/36/11/30/132361130.db2.gz XUTIWIOGBFEQIE-UHFFFAOYSA-N 1 2 414.358 3.936 50 0 HHAALO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](Cc3cn4ccccc4n3)CC2)n1 ZINC000012737762 132366391 /nfs/dbraw/zinc/36/63/91/132366391.db2.gz JXYHWJKXVHCPDP-UHFFFAOYSA-N 1 2 412.419 3.619 50 0 HHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012745809 132366531 /nfs/dbraw/zinc/36/65/31/132366531.db2.gz PEMXWNUULNWMLU-INIZCTEOSA-N 1 2 401.942 3.711 50 0 HHAALO O=C(C[N@H+](Cc1ccco1)C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000028071928 132492344 /nfs/dbraw/zinc/49/23/44/132492344.db2.gz SFXHSAABXHHMQF-UHFFFAOYSA-N 1 2 423.435 3.738 50 0 HHAALO O=C(C[N@@H+](Cc1ccco1)C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000028071928 132492345 /nfs/dbraw/zinc/49/23/45/132492345.db2.gz SFXHSAABXHHMQF-UHFFFAOYSA-N 1 2 423.435 3.738 50 0 HHAALO COCC[N@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C(C)C ZINC000020535823 523770345 /nfs/dbraw/zinc/77/03/45/523770345.db2.gz OEACHMPJLHECCA-UHFFFAOYSA-N 1 2 411.612 3.504 50 0 HHAALO COCC[N@@H+](Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1)C(C)C ZINC000020535823 523770351 /nfs/dbraw/zinc/77/03/51/523770351.db2.gz OEACHMPJLHECCA-UHFFFAOYSA-N 1 2 411.612 3.504 50 0 HHAALO COc1cccc([C@@H](NC(=O)NCCSc2ccc(C)cc2)c2[nH+]ccn2C)c1 ZINC000032802464 524099442 /nfs/dbraw/zinc/09/94/42/524099442.db2.gz OEVOSCRUCXGCDP-HXUWFJFHSA-N 1 2 410.543 3.918 50 0 HHAALO COc1cccc([C@@H](NC(=O)c2cc3cnn(C(C)C)c3nc2C)c2[nH+]ccn2C)c1 ZINC000032848098 524100847 /nfs/dbraw/zinc/10/08/47/524100847.db2.gz DCVYPMLNRIWOPG-HXUWFJFHSA-N 1 2 418.501 3.582 50 0 HHAALO C[C@H]1Cc2cc(-c3csc(Cc4cn5ccccc5[nH+]4)n3)ccc2N1S(C)(=O)=O ZINC000032899506 524975354 /nfs/dbraw/zinc/97/53/54/524975354.db2.gz VEQFLNRAKPYRRZ-AWEZNQCLSA-N 1 2 424.551 3.759 50 0 HHAALO C[C@@H]1CN(c2ccc(CNC(=O)CCCc3nc4ccccc4s3)c[nH+]2)CCO1 ZINC000032930764 525063114 /nfs/dbraw/zinc/06/31/14/525063114.db2.gz DJGUNPHVJAWFGV-MRXNPFEDSA-N 1 2 410.543 3.556 50 0 HHAALO COc1cccc(CNC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1 ZINC000032953917 525992407 /nfs/dbraw/zinc/99/24/07/525992407.db2.gz XBPHMRRRBFKHLW-UHFFFAOYSA-N 1 2 406.486 3.710 50 0 HHAALO Cc1ccc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cc1NS(C)(=O)=O ZINC000032466105 526222870 /nfs/dbraw/zinc/22/28/70/526222870.db2.gz FWZYVHCAIRQARO-UHFFFAOYSA-N 1 2 400.504 3.793 50 0 HHAALO O=C(CCNC(=O)c1ccsc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894428 526509048 /nfs/dbraw/zinc/50/90/48/526509048.db2.gz VKLCRXQIRCYOQP-KRWDZBQOSA-N 1 2 423.941 3.614 50 0 HHAALO Cc1sc2nc(CN3CCOCC3)nc(NCCc3[nH]c4ccccc4[nH+]3)c2c1C ZINC000023968324 526891655 /nfs/dbraw/zinc/89/16/55/526891655.db2.gz CPKXEZWRPXVKGD-UHFFFAOYSA-N 1 2 422.558 3.671 50 0 HHAALO CC1CCN(c2nc(N3CCCC3)[nH+]c3c2CN(C(=O)c2cccc(F)c2)CC3)CC1 ZINC000034679180 557367833 /nfs/dbraw/zinc/36/78/33/557367833.db2.gz DFTCODVYFGUYGV-UHFFFAOYSA-N 1 2 423.536 3.651 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855798 557477270 /nfs/dbraw/zinc/47/72/70/557477270.db2.gz ZZVUNNHEPPYMIX-OYHNWAKOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855798 557477272 /nfs/dbraw/zinc/47/72/72/557477272.db2.gz ZZVUNNHEPPYMIX-OYHNWAKOSA-N 1 2 415.509 3.650 50 0 HHAALO COc1cc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc2c1OCO2 ZINC000019781752 558281098 /nfs/dbraw/zinc/28/10/98/558281098.db2.gz PCHNOIXWGDIDPM-UHFFFAOYSA-N 1 2 408.420 3.761 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc2c1OCO2 ZINC000019781752 558281100 /nfs/dbraw/zinc/28/11/00/558281100.db2.gz PCHNOIXWGDIDPM-UHFFFAOYSA-N 1 2 408.420 3.761 50 0 HHAALO Cc1cccn2cc(CNC(=O)CC[C@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)[nH+]c12 ZINC000011838546 558285436 /nfs/dbraw/zinc/28/54/36/558285436.db2.gz NNSVVLWVFIWASX-HSZRJFAPSA-N 1 2 424.932 3.584 50 0 HHAALO COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2c(OC)cccc2OC)CC1 ZINC000019882789 558301493 /nfs/dbraw/zinc/30/14/93/558301493.db2.gz HVCRORDSBXJHLK-UHFFFAOYSA-N 1 2 420.509 3.824 50 0 HHAALO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)c1 ZINC000020028909 558323128 /nfs/dbraw/zinc/32/31/28/558323128.db2.gz JGFNPVCPFIFKBP-LJQANCHMSA-N 1 2 418.324 3.756 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1OC ZINC000020081161 558330895 /nfs/dbraw/zinc/33/08/95/558330895.db2.gz IKLVCOCOESJYCG-UHFFFAOYSA-N 1 2 420.509 3.580 50 0 HHAALO Cn1ccnc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012445879 558413955 /nfs/dbraw/zinc/41/39/55/558413955.db2.gz ZFVPIXKVMOQGBF-UHFFFAOYSA-N 1 2 401.470 3.634 50 0 HHAALO Cn1ccnc1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012445879 558413958 /nfs/dbraw/zinc/41/39/58/558413958.db2.gz ZFVPIXKVMOQGBF-UHFFFAOYSA-N 1 2 401.470 3.634 50 0 HHAALO CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1[nH+]ccn1C ZINC000012445879 558413960 /nfs/dbraw/zinc/41/39/60/558413960.db2.gz ZFVPIXKVMOQGBF-UHFFFAOYSA-N 1 2 401.470 3.634 50 0 HHAALO O=C(c1nc2ccc(Cl)cn2c1C[NH+]1CCSCC1)N1CCCCCCC1 ZINC000020999897 558428230 /nfs/dbraw/zinc/42/82/30/558428230.db2.gz PKNKGKUUDSSCFJ-UHFFFAOYSA-N 1 2 406.983 3.943 50 0 HHAALO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000021445788 558438600 /nfs/dbraw/zinc/43/86/00/558438600.db2.gz WDSBSZLVAVZKJC-UHFFFAOYSA-N 1 2 409.493 3.650 50 0 HHAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012872514 558482200 /nfs/dbraw/zinc/48/22/00/558482200.db2.gz LESWMVQSILDEHZ-OAQYLSRUSA-N 1 2 416.543 3.655 50 0 HHAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012872514 558482203 /nfs/dbraw/zinc/48/22/03/558482203.db2.gz LESWMVQSILDEHZ-OAQYLSRUSA-N 1 2 416.543 3.655 50 0 HHAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000022608857 558501098 /nfs/dbraw/zinc/50/10/98/558501098.db2.gz COTKIYWKDNSGOI-HXUWFJFHSA-N 1 2 416.949 3.803 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000013038345 558505664 /nfs/dbraw/zinc/50/56/64/558505664.db2.gz PYAJDVBZBJNPFW-UHFFFAOYSA-N 1 2 416.861 3.540 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000013038345 558505666 /nfs/dbraw/zinc/50/56/66/558505666.db2.gz PYAJDVBZBJNPFW-UHFFFAOYSA-N 1 2 416.861 3.540 50 0 HHAALO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccccc2Cl)NC(=O)N[C@H]1c1cccs1 ZINC000013040156 558506765 /nfs/dbraw/zinc/50/67/65/558506765.db2.gz UTVOSGCGZDILPQ-XIKOKIGWSA-N 1 2 419.934 3.923 50 0 HHAALO CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013072836 558511893 /nfs/dbraw/zinc/51/18/93/558511893.db2.gz FXIFEGBWDUBSEQ-UHFFFAOYSA-N 1 2 411.845 3.823 50 0 HHAALO CC[N@H+](Cc1cc(=O)oc2cc(O)ccc12)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013072836 558511896 /nfs/dbraw/zinc/51/18/96/558511896.db2.gz FXIFEGBWDUBSEQ-UHFFFAOYSA-N 1 2 411.845 3.823 50 0 HHAALO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000022820771 558514557 /nfs/dbraw/zinc/51/45/57/558514557.db2.gz BTQCCNGKCVOILG-LJQANCHMSA-N 1 2 421.541 3.753 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023257791 558546643 /nfs/dbraw/zinc/54/66/43/558546643.db2.gz DVUMSLVAGUFFSX-HNNXBMFYSA-N 1 2 407.967 3.863 50 0 HHAALO Cc1[nH]c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2[nH+]1 ZINC000010896100 558547814 /nfs/dbraw/zinc/54/78/14/558547814.db2.gz ZQNGWPSMCUSCJN-LJQANCHMSA-N 1 2 404.495 3.913 50 0 HHAALO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)c(Br)c1 ZINC000023376241 558555193 /nfs/dbraw/zinc/55/51/93/558555193.db2.gz ADNSWPHNXMBYEZ-OAHLLOKOSA-N 1 2 422.392 3.964 50 0 HHAALO COc1ccc(-c2nc(CC(=O)N3CC[NH+](Cc4cccs4)CC3)cs2)cc1 ZINC000023737036 558572396 /nfs/dbraw/zinc/57/23/96/558572396.db2.gz RVYZNNFGVKHFRG-UHFFFAOYSA-N 1 2 413.568 3.767 50 0 HHAALO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023804872 558576447 /nfs/dbraw/zinc/57/64/47/558576447.db2.gz QJQJYLDSXGQRIR-VWLOTQADSA-N 1 2 401.510 3.689 50 0 HHAALO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023804872 558576449 /nfs/dbraw/zinc/57/64/49/558576449.db2.gz QJQJYLDSXGQRIR-VWLOTQADSA-N 1 2 401.510 3.689 50 0 HHAALO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000023908559 558581153 /nfs/dbraw/zinc/58/11/53/558581153.db2.gz VMCGRFJVURCEMM-INIZCTEOSA-N 1 2 419.506 3.923 50 0 HHAALO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C[C@H]1COc2ccccc2O1 ZINC000023908559 558581156 /nfs/dbraw/zinc/58/11/56/558581156.db2.gz VMCGRFJVURCEMM-INIZCTEOSA-N 1 2 419.506 3.923 50 0 HHAALO Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023955884 558582432 /nfs/dbraw/zinc/58/24/32/558582432.db2.gz ZXAHVYCFFQTPMH-UHFFFAOYSA-N 1 2 416.949 3.956 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3csc(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000024119172 558589828 /nfs/dbraw/zinc/58/98/28/558589828.db2.gz ZHJLXIOZHXJGSO-UHFFFAOYSA-N 1 2 423.538 3.785 50 0 HHAALO O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000024209297 558592352 /nfs/dbraw/zinc/59/23/52/558592352.db2.gz ROXWXAKKSCPGCU-UHFFFAOYSA-N 1 2 419.909 3.534 50 0 HHAALO Cc1nn2c(nc(Sc3nnc(C[NH+]4CCCC4)o3)c3ccccc32)c1Cl ZINC000024982324 558624429 /nfs/dbraw/zinc/62/44/29/558624429.db2.gz MPFUFMYZDATSIM-UHFFFAOYSA-N 1 2 400.895 3.974 50 0 HHAALO C[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1=O ZINC000014251288 558650082 /nfs/dbraw/zinc/65/00/82/558650082.db2.gz XCGPBHAVQJLXSU-HXUWFJFHSA-N 1 2 418.950 3.807 50 0 HHAALO COc1ccc(-c2nnc([C@@H](C)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)o2)cc1 ZINC000027545735 558674474 /nfs/dbraw/zinc/67/44/74/558674474.db2.gz OKHHRBWXSINVPA-QGZVFWFLSA-N 1 2 422.533 3.850 50 0 HHAALO C[N@H+](Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1)Cc1ccccc1 ZINC000014886629 558677502 /nfs/dbraw/zinc/67/75/02/558677502.db2.gz ZFKGSOIZHAGWDY-HXUWFJFHSA-N 1 2 409.559 3.776 50 0 HHAALO C[N@@H+](Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1)Cc1ccccc1 ZINC000014886629 558677507 /nfs/dbraw/zinc/67/75/07/558677507.db2.gz ZFKGSOIZHAGWDY-HXUWFJFHSA-N 1 2 409.559 3.776 50 0 HHAALO COc1ccc(OCc2ccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)o2)cc1 ZINC000028631849 558702755 /nfs/dbraw/zinc/70/27/55/558702755.db2.gz RDRJESCACRTVJD-UHFFFAOYSA-N 1 2 412.511 3.887 50 0 HHAALO CC[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)c1ccccc1 ZINC000028867833 558706136 /nfs/dbraw/zinc/70/61/36/558706136.db2.gz UDBSMEMFVAKCCW-QGZVFWFLSA-N 1 2 409.511 3.806 50 0 HHAALO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCC2)sc2c1CCCC2 ZINC000004554391 558722016 /nfs/dbraw/zinc/72/20/16/558722016.db2.gz SCAKBPOUTGHNKL-UHFFFAOYSA-N 1 2 413.543 3.922 50 0 HHAALO NC(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000030181047 558727710 /nfs/dbraw/zinc/72/77/10/558727710.db2.gz JKWZIAKNIJEIQM-UHFFFAOYSA-N 1 2 423.513 3.611 50 0 HHAALO Cc1cc(N2CCN(C(=O)c3ccc(CSC(F)F)o3)CC2)nc(C(C)C)[nH+]1 ZINC000030517781 558731569 /nfs/dbraw/zinc/73/15/69/558731569.db2.gz CYHKQPHSJXYIBP-UHFFFAOYSA-N 1 2 410.490 3.920 50 0 HHAALO O=C(CCSCc1cn2ccccc2[nH+]1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030582685 558733296 /nfs/dbraw/zinc/73/32/96/558733296.db2.gz LRUOXOLABKFLOH-UHFFFAOYSA-N 1 2 414.962 3.960 50 0 HHAALO COc1cc(OC)cc([C@@H](NC(=O)c2cc(Cl)c(Cl)n2C)c2[nH+]ccn2C)c1 ZINC000030587072 558733556 /nfs/dbraw/zinc/73/35/56/558733556.db2.gz ASEGXNJEWZHHPL-MRXNPFEDSA-N 1 2 423.300 3.602 50 0 HHAALO Cc1nsc(N2CC[NH+](Cc3cc(Cl)ccc3OCc3cccnc3)CC2)n1 ZINC000072308861 558771985 /nfs/dbraw/zinc/77/19/85/558771985.db2.gz PZVASOQAIATWCG-UHFFFAOYSA-N 1 2 415.950 3.796 50 0 HHAALO Cc1cccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000036311052 558798903 /nfs/dbraw/zinc/79/89/03/558798903.db2.gz MTQPUBPBSOIQDJ-FQEVSTJZSA-N 1 2 400.567 3.618 50 0 HHAALO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000036636409 558800443 /nfs/dbraw/zinc/80/04/43/558800443.db2.gz OJRPFGSYFMSFAZ-UHFFFAOYSA-N 1 2 423.376 3.572 50 0 HHAALO O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000018223130 558834233 /nfs/dbraw/zinc/83/42/33/558834233.db2.gz VRIPVTBAAHOYBI-XTXLJPNXSA-N 1 2 411.509 3.657 50 0 HHAALO O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000018223132 558834297 /nfs/dbraw/zinc/83/42/97/558834297.db2.gz VRIPVTBAAHOYBI-SQUSKLHYSA-N 1 2 411.509 3.657 50 0 HHAALO O=C(NC1CCCC1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106588 558874153 /nfs/dbraw/zinc/87/41/53/558874153.db2.gz LDQIMQXPJGWNNJ-UHFFFAOYSA-N 1 2 403.530 3.859 50 0 HHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000033106517 558874237 /nfs/dbraw/zinc/87/42/37/558874237.db2.gz GQAGOORXIBBKNN-UHFFFAOYSA-N 1 2 403.408 3.946 50 0 HHAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038479 558896523 /nfs/dbraw/zinc/89/65/23/558896523.db2.gz DULLNMIAXAEWIK-FQEVSTJZSA-N 1 2 413.905 3.643 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058038479 558896527 /nfs/dbraw/zinc/89/65/27/558896527.db2.gz DULLNMIAXAEWIK-FQEVSTJZSA-N 1 2 413.905 3.643 50 0 HHAALO Cc1cc(C)n(-c2cc(N3CCOCC3)[nH+]c(-c3ccc(Br)cc3)n2)n1 ZINC000058158973 558904169 /nfs/dbraw/zinc/90/41/69/558904169.db2.gz WJHNOAADNKITMN-UHFFFAOYSA-N 1 2 414.307 3.545 50 0 HHAALO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000058160055 558904835 /nfs/dbraw/zinc/90/48/35/558904835.db2.gz GDSKOUNJZKIONR-UHFFFAOYSA-N 1 2 421.570 3.558 50 0 HHAALO Cc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)Cc3ccccc3)sc2c1 ZINC000022997576 558981742 /nfs/dbraw/zinc/98/17/42/558981742.db2.gz VQCRYJRYMRRJLW-UHFFFAOYSA-N 1 2 409.555 3.903 50 0 HHAALO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000097134468 558996404 /nfs/dbraw/zinc/99/64/04/558996404.db2.gz FWAQZNOPANQIMH-JOCHJYFZSA-N 1 2 401.576 3.534 50 0 HHAALO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000097134468 558996406 /nfs/dbraw/zinc/99/64/06/558996406.db2.gz FWAQZNOPANQIMH-JOCHJYFZSA-N 1 2 401.576 3.534 50 0 HHAALO COc1ccc(CCC(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106399 559010061 /nfs/dbraw/zinc/01/00/61/559010061.db2.gz IPKOYQGTVXKXNM-RUZDIDTESA-N 1 2 418.537 3.971 50 0 HHAALO O=S(=O)(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000023127795 559016119 /nfs/dbraw/zinc/01/61/19/559016119.db2.gz XBAVBJSAOLWBKB-HSZRJFAPSA-N 1 2 410.539 3.582 50 0 HHAALO O=S(=O)(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000023127795 559016121 /nfs/dbraw/zinc/01/61/21/559016121.db2.gz XBAVBJSAOLWBKB-HSZRJFAPSA-N 1 2 410.539 3.582 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1cc2c(c(Cl)c1)OCO2)c1ccccc1F ZINC000098001780 559016440 /nfs/dbraw/zinc/01/64/40/559016440.db2.gz QOBZLHDGYRJFRB-LIXSYLKWSA-N 1 2 413.836 3.860 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000023157104 559022204 /nfs/dbraw/zinc/02/22/04/559022204.db2.gz GORXPHWEBICPED-JCGVRSQUSA-N 1 2 416.547 3.889 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000023157104 559022206 /nfs/dbraw/zinc/02/22/06/559022206.db2.gz GORXPHWEBICPED-JCGVRSQUSA-N 1 2 416.547 3.889 50 0 HHAALO COc1ccc(OC)c(NC(=S)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182214 559031805 /nfs/dbraw/zinc/03/18/05/559031805.db2.gz AAJSFOSVQCJWBG-LIRRHRJNSA-N 1 2 421.588 3.514 50 0 HHAALO COc1ccc(OC)c(NC(=S)N[C@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182210 559031840 /nfs/dbraw/zinc/03/18/40/559031840.db2.gz AAJSFOSVQCJWBG-AUUYWEPGSA-N 1 2 421.588 3.514 50 0 HHAALO Cc1nc(N2CCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)[nH+]1 ZINC000033326856 559059482 /nfs/dbraw/zinc/05/94/82/559059482.db2.gz YKFYSAWPTHWTPS-UHFFFAOYSA-N 1 2 415.544 3.991 50 0 HHAALO Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000033331744 559062476 /nfs/dbraw/zinc/06/24/76/559062476.db2.gz QCKUHYRFSNZDRY-UHFFFAOYSA-N 1 2 420.538 3.780 50 0 HHAALO Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000033331744 559062478 /nfs/dbraw/zinc/06/24/78/559062478.db2.gz QCKUHYRFSNZDRY-UHFFFAOYSA-N 1 2 420.538 3.780 50 0 HHAALO CCOc1ccccc1[C@@H]1C(C(=O)N2CCOCC2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004786696 559064193 /nfs/dbraw/zinc/06/41/93/559064193.db2.gz CVLCYZVHKBMBGE-JOCHJYFZSA-N 1 2 418.497 3.583 50 0 HHAALO Cc1nc(C)c(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)s1 ZINC000095506291 559083200 /nfs/dbraw/zinc/08/32/00/559083200.db2.gz XFLXYQPOLUFEAP-KFKAGJAMSA-N 1 2 403.498 3.741 50 0 HHAALO C[C@H](Cc1ccccn1)NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000104551300 559161104 /nfs/dbraw/zinc/16/11/04/559161104.db2.gz MQHBGPRSMNSLFP-HOYKHHGWSA-N 1 2 419.500 3.904 50 0 HHAALO C[C@H](Cc1ccccn1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000104551300 559161106 /nfs/dbraw/zinc/16/11/06/559161106.db2.gz MQHBGPRSMNSLFP-HOYKHHGWSA-N 1 2 419.500 3.904 50 0 HHAALO Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1CCCn1cc[nH+]c1 ZINC000005209253 560538846 /nfs/dbraw/zinc/53/88/46/560538846.db2.gz LXAHZQYANANMRW-UHFFFAOYSA-N 1 2 408.469 3.997 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000003334803 560593445 /nfs/dbraw/zinc/59/34/45/560593445.db2.gz DINFBTKWKFGPTC-UHFFFAOYSA-N 1 2 411.727 3.859 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000003334803 560593447 /nfs/dbraw/zinc/59/34/47/560593447.db2.gz DINFBTKWKFGPTC-UHFFFAOYSA-N 1 2 411.727 3.859 50 0 HHAALO Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCn4cc[nH+]c4)c(=N)c32)cc1 ZINC000101356015 560792438 /nfs/dbraw/zinc/79/24/38/560792438.db2.gz FPXWKVOYJNUEDS-NRFANRHFSA-N 1 2 413.481 3.949 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000102788678 560827598 /nfs/dbraw/zinc/82/75/98/560827598.db2.gz GQLRENDWKGVWJH-OXQOHEQNSA-N 1 2 408.498 3.572 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000102788678 560827599 /nfs/dbraw/zinc/82/75/99/560827599.db2.gz GQLRENDWKGVWJH-OXQOHEQNSA-N 1 2 408.498 3.572 50 0 HHAALO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@H](CO)c1cccc(F)c1 ZINC000106187633 560885156 /nfs/dbraw/zinc/88/51/56/560885156.db2.gz BZZAOVYCCRKIDM-DENIHFKCSA-N 1 2 416.493 3.897 50 0 HHAALO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@H](CO)c1cccc(F)c1 ZINC000106187633 560885157 /nfs/dbraw/zinc/88/51/57/560885157.db2.gz BZZAOVYCCRKIDM-DENIHFKCSA-N 1 2 416.493 3.897 50 0 HHAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc3c(s2)n(C)nc3C(F)(F)F)CC1 ZINC000020616644 560885946 /nfs/dbraw/zinc/88/59/46/560885946.db2.gz QCQLFHHFGZETQJ-UHFFFAOYSA-N 1 2 422.476 3.920 50 0 HHAALO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000106578153 560892599 /nfs/dbraw/zinc/89/25/99/560892599.db2.gz XSYLHXPOLNNCHO-KGLIPLIRSA-N 1 2 400.350 3.949 50 0 HHAALO CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000106578153 560892601 /nfs/dbraw/zinc/89/26/01/560892601.db2.gz XSYLHXPOLNNCHO-KGLIPLIRSA-N 1 2 400.350 3.949 50 0 HHAALO Cn1cc(-c2nc(C[N@H+](C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cs2)cn1 ZINC000108066755 560897706 /nfs/dbraw/zinc/89/77/06/560897706.db2.gz PXSKFRIWOJMUPO-SJORKVTESA-N 1 2 409.342 3.941 50 0 HHAALO Cn1cc(-c2nc(C[N@@H+](C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cs2)cn1 ZINC000108066755 560897708 /nfs/dbraw/zinc/89/77/08/560897708.db2.gz PXSKFRIWOJMUPO-SJORKVTESA-N 1 2 409.342 3.941 50 0 HHAALO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907223 568415760 /nfs/dbraw/zinc/41/57/60/568415760.db2.gz YZGZRKOWKXZSLP-NRFANRHFSA-N 1 2 410.539 3.974 50 0 HHAALO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907223 568415761 /nfs/dbraw/zinc/41/57/61/568415761.db2.gz YZGZRKOWKXZSLP-NRFANRHFSA-N 1 2 410.539 3.974 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000022907410 568415769 /nfs/dbraw/zinc/41/57/69/568415769.db2.gz ZXEUHSWCEHFFOQ-FQEVSTJZSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000022907410 568415770 /nfs/dbraw/zinc/41/57/70/568415770.db2.gz ZXEUHSWCEHFFOQ-FQEVSTJZSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000046019763 568423861 /nfs/dbraw/zinc/42/38/61/568423861.db2.gz MROIQVGROPPBLV-OAQYLSRUSA-N 1 2 418.497 3.749 50 0 HHAALO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(Cn4ccc(C(F)(F)F)n4)CC3)n2)cc1 ZINC000048340386 568440232 /nfs/dbraw/zinc/44/02/32/568440232.db2.gz DMTXBIQYFJNKQX-HNNXBMFYSA-N 1 2 420.439 3.597 50 0 HHAALO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048366579 568441949 /nfs/dbraw/zinc/44/19/49/568441949.db2.gz HYDCETHCGPDLQJ-NRFANRHFSA-N 1 2 407.470 3.962 50 0 HHAALO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2coc(-c3ccc(OC)cc3)n2)cc1 ZINC000048366579 568441950 /nfs/dbraw/zinc/44/19/50/568441950.db2.gz HYDCETHCGPDLQJ-NRFANRHFSA-N 1 2 407.470 3.962 50 0 HHAALO O=C(C[NH+]1CC(c2nc(-c3cccs3)no2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000049484481 568450952 /nfs/dbraw/zinc/45/09/52/568450952.db2.gz JTQYBNNZQATFJB-UHFFFAOYSA-N 1 2 422.554 3.679 50 0 HHAALO C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024975648 568516688 /nfs/dbraw/zinc/51/66/88/568516688.db2.gz XPGYQRBRNBGKCL-LJQANCHMSA-N 1 2 420.582 3.912 50 0 HHAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CNC(=O)c2ccc3ccccc3c2)CC1 ZINC000095406908 568606315 /nfs/dbraw/zinc/60/63/15/568606315.db2.gz HDUDLULNLPMOQE-SFHVURJKSA-N 1 2 419.500 3.614 50 0 HHAALO O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000095432829 568609393 /nfs/dbraw/zinc/60/93/93/568609393.db2.gz YXYVVNUOVRERMV-HNNXBMFYSA-N 1 2 406.313 3.874 50 0 HHAALO CCOC(=O)CC[C@@H](C)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000095444840 568611635 /nfs/dbraw/zinc/61/16/35/568611635.db2.gz XWHQWWUWIYEABQ-QGZVFWFLSA-N 1 2 409.486 3.683 50 0 HHAALO Cc1cc(C)cc(OC[C@H](O)CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000095454682 568616448 /nfs/dbraw/zinc/61/64/48/568616448.db2.gz NAXIZMSKKWOSON-JOCHJYFZSA-N 1 2 405.542 3.541 50 0 HHAALO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000095454682 568616450 /nfs/dbraw/zinc/61/64/50/568616450.db2.gz NAXIZMSKKWOSON-JOCHJYFZSA-N 1 2 405.542 3.541 50 0 HHAALO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000095454682 568616452 /nfs/dbraw/zinc/61/64/52/568616452.db2.gz NAXIZMSKKWOSON-JOCHJYFZSA-N 1 2 405.542 3.541 50 0 HHAALO O=C(/C=C/c1ccc(Br)cc1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029088018 568645196 /nfs/dbraw/zinc/64/51/96/568645196.db2.gz FRJPHFFCVFCJPQ-OJLWIZQOSA-N 1 2 415.331 3.652 50 0 HHAALO Cn1nc(-c2ccccc2F)c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)sc21 ZINC000020856021 568645399 /nfs/dbraw/zinc/64/53/99/568645399.db2.gz XXJPNFXVPMXSRZ-UHFFFAOYSA-N 1 2 421.501 3.798 50 0 HHAALO COc1cc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc(OC)c1OC ZINC000021039122 568659943 /nfs/dbraw/zinc/65/99/43/568659943.db2.gz MXOVGIITXFLLGV-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1cc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc(OC)c1OC ZINC000021039122 568659944 /nfs/dbraw/zinc/65/99/44/568659944.db2.gz MXOVGIITXFLLGV-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO O=C1[C@H]2[C@H](C=Cc3ccccc3)[N@H+]3CSC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229994478 568716715 /nfs/dbraw/zinc/71/67/15/568716715.db2.gz UNKLTRXXWKZTPX-PWADTDRISA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@H]2[C@H](C=Cc3ccccc3)[N@@H+]3CSC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229994478 568716717 /nfs/dbraw/zinc/71/67/17/568716717.db2.gz UNKLTRXXWKZTPX-PWADTDRISA-N 1 2 410.926 3.916 50 0 HHAALO Cc1ccccc1C(=O)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCCCC3)c2C1 ZINC000096280974 568718422 /nfs/dbraw/zinc/71/84/22/568718422.db2.gz IPFUEWFCFXOSHD-UHFFFAOYSA-N 1 2 419.573 3.964 50 0 HHAALO COc1ccc(OCc2nc(C[NH2+]Cc3cccc(-c4nc[nH]n4)c3)cs2)cc1 ZINC000237305076 568723440 /nfs/dbraw/zinc/72/34/40/568723440.db2.gz IDKSEEHFIODRGA-UHFFFAOYSA-N 1 2 407.499 3.806 50 0 HHAALO CCNC(=O)N1CCN(c2nc([C@H](C)CC)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096317004 568726329 /nfs/dbraw/zinc/72/63/29/568726329.db2.gz MEGURYITMVNREL-MRXNPFEDSA-N 1 2 413.541 3.880 50 0 HHAALO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000021754675 568752082 /nfs/dbraw/zinc/75/20/82/568752082.db2.gz QLWVNFBTRAVKFG-JTQLQIEISA-N 1 2 414.491 3.745 50 0 HHAALO O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025181735 568758443 /nfs/dbraw/zinc/75/84/43/568758443.db2.gz FFGSGUMAYQXODN-UHFFFAOYSA-N 1 2 416.437 3.794 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056945397 568821572 /nfs/dbraw/zinc/82/15/72/568821572.db2.gz ITVMZTFEFDIHNY-JOCHJYFZSA-N 1 2 423.488 3.721 50 0 HHAALO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000057315226 568826581 /nfs/dbraw/zinc/82/65/81/568826581.db2.gz GNMXSCJMGHBYDS-UHFFFAOYSA-N 1 2 406.555 3.955 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)CCC2 ZINC000057354959 568827607 /nfs/dbraw/zinc/82/76/07/568827607.db2.gz BHJAFGIMRNMNMK-UHFFFAOYSA-N 1 2 403.448 3.955 50 0 HHAALO CC(=O)c1cccc(S(=O)(=O)N(C)[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012549695 568852058 /nfs/dbraw/zinc/85/20/58/568852058.db2.gz QDNOZKUJLCEJFX-IBGZPJMESA-N 1 2 417.918 3.686 50 0 HHAALO C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550093 568852286 /nfs/dbraw/zinc/85/22/86/568852286.db2.gz YPEVBVJOKPULKW-CQSZACIVSA-N 1 2 400.276 3.891 50 0 HHAALO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000057572712 568854054 /nfs/dbraw/zinc/85/40/54/568854054.db2.gz NVXVPGSDBSJPLH-FQEVSTJZSA-N 1 2 422.573 3.835 50 0 HHAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000057852021 568863272 /nfs/dbraw/zinc/86/32/72/568863272.db2.gz QBDVVHHNUDZCHQ-UHFFFAOYSA-N 1 2 420.966 3.592 50 0 HHAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000057852021 568863275 /nfs/dbraw/zinc/86/32/75/568863275.db2.gz QBDVVHHNUDZCHQ-UHFFFAOYSA-N 1 2 420.966 3.592 50 0 HHAALO CCOC(=O)c1sc(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C(=O)OCC)c1C ZINC000003278427 568871365 /nfs/dbraw/zinc/87/13/65/568871365.db2.gz QHRLXONNANYLPM-BETUJISGSA-N 1 2 410.536 3.611 50 0 HHAALO CCOC(=O)c1sc(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C(=O)OCC)c1C ZINC000003278427 568871367 /nfs/dbraw/zinc/87/13/67/568871367.db2.gz QHRLXONNANYLPM-BETUJISGSA-N 1 2 410.536 3.611 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000058136079 568890233 /nfs/dbraw/zinc/89/02/33/568890233.db2.gz BVEOQZWCCQOMNW-QHCPKHFHSA-N 1 2 422.479 3.653 50 0 aggregator HHAALO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)on2)n1C1CCCCC1)[NH+](C)C ZINC000003373750 568891116 /nfs/dbraw/zinc/89/11/16/568891116.db2.gz RJLDIZSLQWSZMP-HNNXBMFYSA-N 1 2 406.556 3.823 50 0 HHAALO CC[C@H](c1nnc(SCC(=O)NC2CCCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000003552180 568914978 /nfs/dbraw/zinc/91/49/78/568914978.db2.gz DTYXFTDPMJUYNA-LJQANCHMSA-N 1 2 415.607 3.880 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000248382521 568918088 /nfs/dbraw/zinc/91/80/88/568918088.db2.gz XDURGZZLWDJFDV-UGSOOPFHSA-N 1 2 424.328 3.544 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000248382521 568918089 /nfs/dbraw/zinc/91/80/89/568918089.db2.gz XDURGZZLWDJFDV-UGSOOPFHSA-N 1 2 424.328 3.544 50 0 HHAALO O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000012764845 568948017 /nfs/dbraw/zinc/94/80/17/568948017.db2.gz NLTXZOZWDHSXPM-UHFFFAOYSA-N 1 2 413.587 3.678 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccc(F)c1 ZINC000012788391 568960536 /nfs/dbraw/zinc/96/05/36/568960536.db2.gz GOPKDZLVLWMBRQ-NRFANRHFSA-N 1 2 419.460 3.838 50 0 HHAALO CNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000008005317 568967766 /nfs/dbraw/zinc/96/77/66/568967766.db2.gz STBQGRIWZWCNMP-GOSISDBHSA-N 1 2 408.527 3.822 50 0 HHAALO CNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000008005317 568967768 /nfs/dbraw/zinc/96/77/68/568967768.db2.gz STBQGRIWZWCNMP-GOSISDBHSA-N 1 2 408.527 3.822 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000008135184 568976841 /nfs/dbraw/zinc/97/68/41/568976841.db2.gz WRAIDTUOGLKZCC-ZDUSSCGKSA-N 1 2 402.292 3.691 50 0 HHAALO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1OC ZINC000008156096 568977685 /nfs/dbraw/zinc/97/76/85/568977685.db2.gz ABXPJGLZPUMABH-QGZVFWFLSA-N 1 2 411.527 3.767 50 0 HHAALO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1OC ZINC000008156096 568977687 /nfs/dbraw/zinc/97/76/87/568977687.db2.gz ABXPJGLZPUMABH-QGZVFWFLSA-N 1 2 411.527 3.767 50 0 HHAALO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1OC ZINC000008156097 568977722 /nfs/dbraw/zinc/97/77/22/568977722.db2.gz ABXPJGLZPUMABH-KRWDZBQOSA-N 1 2 411.527 3.767 50 0 HHAALO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1OC ZINC000008156097 568977723 /nfs/dbraw/zinc/97/77/23/568977723.db2.gz ABXPJGLZPUMABH-KRWDZBQOSA-N 1 2 411.527 3.767 50 0 HHAALO O=C(Cn1c2ccccc2[nH+]c1NCc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000008389263 568996531 /nfs/dbraw/zinc/99/65/31/568996531.db2.gz HUVMFNIHZAQAHF-UHFFFAOYSA-N 1 2 414.465 3.694 50 0 HHAALO CCSc1ccccc1C(=O)NCCn1ncc2c1nc[nH+]c2NCc1ccco1 ZINC000038484357 568997014 /nfs/dbraw/zinc/99/70/14/568997014.db2.gz KUBQHZZLSAESMT-UHFFFAOYSA-N 1 2 422.514 3.573 50 0 HHAALO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000067194184 569003187 /nfs/dbraw/zinc/00/31/87/569003187.db2.gz VMHQOFHZGARSOZ-MRXNPFEDSA-N 1 2 414.937 3.756 50 0 HHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)[nH+]1 ZINC000015825201 569011345 /nfs/dbraw/zinc/01/13/45/569011345.db2.gz HRPHOCRZLDZMBN-UHFFFAOYSA-N 1 2 415.453 3.953 50 0 HHAALO Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000012871114 569013262 /nfs/dbraw/zinc/01/32/62/569013262.db2.gz LDCLDPGAWZKYJC-UHFFFAOYSA-N 1 2 410.415 3.699 50 0 HHAALO Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000012871114 569013263 /nfs/dbraw/zinc/01/32/63/569013263.db2.gz LDCLDPGAWZKYJC-UHFFFAOYSA-N 1 2 410.415 3.699 50 0 HHAALO CCc1nc2ccc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2nc1CC ZINC000026215096 569030640 /nfs/dbraw/zinc/03/06/40/569030640.db2.gz SBNRLCJJUPRAIS-UHFFFAOYSA-N 1 2 413.525 3.972 50 0 HHAALO Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000035404540 569035817 /nfs/dbraw/zinc/03/58/17/569035817.db2.gz OMMSANWVEIKASH-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000035404540 569035818 /nfs/dbraw/zinc/03/58/18/569035818.db2.gz OMMSANWVEIKASH-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245309781 569055666 /nfs/dbraw/zinc/05/56/66/569055666.db2.gz GIGPECARGLMMHZ-UAFMIMERSA-N 1 2 410.832 3.584 50 0 HHAALO 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CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(Br)c2)Oc2ccccc21 ZINC000012528154 132361900 /nfs/dbraw/zinc/36/19/00/132361900.db2.gz NHKVEQPQJJPTRW-KRWDZBQOSA-N 1 2 418.335 3.607 50 0 HHAALO CCOC(=O)c1cc2cc(NC(=O)N3CC[NH+](Cc4cccnc4)CC3)ccc2s1 ZINC000048353785 521449613 /nfs/dbraw/zinc/44/96/13/521449613.db2.gz YXQGPEBZIVYRFB-UHFFFAOYSA-N 1 2 424.526 3.823 50 0 HHAALO Cn1cc(C[N@H+](C)CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000032540118 522423694 /nfs/dbraw/zinc/42/36/94/522423694.db2.gz NKCBEFVGKUVICS-UHFFFAOYSA-N 1 2 424.564 3.989 50 0 HHAALO Cn1cc(C[N@@H+](C)CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000032540118 522423706 /nfs/dbraw/zinc/42/37/06/522423706.db2.gz NKCBEFVGKUVICS-UHFFFAOYSA-N 1 2 424.564 3.989 50 0 HHAALO C[N@H+](CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccccc1C(F)(F)F ZINC000032909513 522519459 /nfs/dbraw/zinc/51/94/59/522519459.db2.gz ZDAYCDAOPWAHIG-UHFFFAOYSA-N 1 2 407.436 3.613 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1N1CCOCC1)Cc1ccccc1C(F)(F)F ZINC000032909513 522519475 /nfs/dbraw/zinc/51/94/75/522519475.db2.gz ZDAYCDAOPWAHIG-UHFFFAOYSA-N 1 2 407.436 3.613 50 0 HHAALO COc1ccc(-c2nn3c(nc(C)cc3N3CCN(c4cccc[nH+]4)CC3)c2C)cc1 ZINC000040216833 523249853 /nfs/dbraw/zinc/24/98/53/523249853.db2.gz RRLJSOFTZQMCDT-UHFFFAOYSA-N 1 2 414.513 3.743 50 0 HHAALO C[N@@H+]1CCc2c(sc3nc(N4CCCC4)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020358840 523995027 /nfs/dbraw/zinc/99/50/27/523995027.db2.gz BFVCYKVATMWEKC-UHFFFAOYSA-N 1 2 400.935 3.689 50 0 HHAALO C[N@H+]1CCc2c(sc3nc(N4CCCC4)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020358840 523995028 /nfs/dbraw/zinc/99/50/28/523995028.db2.gz BFVCYKVATMWEKC-UHFFFAOYSA-N 1 2 400.935 3.689 50 0 HHAALO C[C@@H]1CN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)c[nH+]2)C[C@H](C)O1 ZINC000032930481 525066716 /nfs/dbraw/zinc/06/67/16/525066716.db2.gz MEZZYSXGTFWBGI-OKILXGFUSA-N 1 2 414.556 3.810 50 0 HHAALO C[C@@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288958 525363588 /nfs/dbraw/zinc/36/35/88/525363588.db2.gz QVEZYQBOPLHRBW-VGSWGCGISA-N 1 2 424.545 3.964 50 0 HHAALO Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c12 ZINC000032902840 527683297 /nfs/dbraw/zinc/68/32/97/527683297.db2.gz BXVJJFWPIRQQJJ-UHFFFAOYSA-N 1 2 402.502 3.575 50 0 HHAALO Fc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000001095648 557178148 /nfs/dbraw/zinc/17/81/48/557178148.db2.gz VQUAFVNBLPVXIK-UHFFFAOYSA-N 1 2 408.868 3.935 50 0 HHAALO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1cccc(C(F)(F)F)c1 ZINC000002328796 557337730 /nfs/dbraw/zinc/33/77/30/557337730.db2.gz FCPDBQXAYNNPSS-CYBMUJFWSA-N 1 2 406.389 3.564 50 0 HHAALO O=C(NCCc1ccccn1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668401 557362137 /nfs/dbraw/zinc/36/21/37/557362137.db2.gz FKRWAGKCBGJVPK-UHFFFAOYSA-N 1 2 418.516 3.515 50 0 HHAALO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000005050020 557630302 /nfs/dbraw/zinc/63/03/02/557630302.db2.gz WZQDAOLBVZDEBK-UHFFFAOYSA-N 1 2 411.571 3.981 50 0 HHAALO CC(C)CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000008561229 557794974 /nfs/dbraw/zinc/79/49/74/557794974.db2.gz WDPYFSWMTDRPNF-UHFFFAOYSA-N 1 2 409.530 3.751 50 0 HHAALO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022766754 557814712 /nfs/dbraw/zinc/81/47/12/557814712.db2.gz OAOIBIXRLMMDLZ-OAQYLSRUSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1F ZINC000022766754 557814714 /nfs/dbraw/zinc/81/47/14/557814714.db2.gz OAOIBIXRLMMDLZ-OAQYLSRUSA-N 1 2 423.513 3.742 50 0 HHAALO CC(C)(C)C(=O)Nc1ccnn1C1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000011663835 558267556 /nfs/dbraw/zinc/26/75/56/558267556.db2.gz POXGQUIVUMKAMX-UHFFFAOYSA-N 1 2 420.517 3.735 50 0 HHAALO Cc1cccc(-c2ncc(CN3CC[N@H+](Cc4ccc(F)cc4)[C@@H](CCO)C3)cn2)c1 ZINC000019794995 558284261 /nfs/dbraw/zinc/28/42/61/558284261.db2.gz VOOOUGWMFASOFD-DEOSSOPVSA-N 1 2 420.532 3.660 50 0 HHAALO Cc1cccc(-c2ncc(CN3CC[N@@H+](Cc4ccc(F)cc4)[C@@H](CCO)C3)cn2)c1 ZINC000019794995 558284263 /nfs/dbraw/zinc/28/42/63/558284263.db2.gz VOOOUGWMFASOFD-DEOSSOPVSA-N 1 2 420.532 3.660 50 0 HHAALO Cc1cccc(-c2ncc(C[N@@H+]3CCN(Cc4ccc(F)cc4)[C@@H](CCO)C3)cn2)c1 ZINC000019794995 558284265 /nfs/dbraw/zinc/28/42/65/558284265.db2.gz VOOOUGWMFASOFD-DEOSSOPVSA-N 1 2 420.532 3.660 50 0 HHAALO Cc1cccc(-c2ncc(C[N@H+]3CCN(Cc4ccc(F)cc4)[C@@H](CCO)C3)cn2)c1 ZINC000019794995 558284268 /nfs/dbraw/zinc/28/42/68/558284268.db2.gz VOOOUGWMFASOFD-DEOSSOPVSA-N 1 2 420.532 3.660 50 0 HHAALO Cn1ccnc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011936032 558299909 /nfs/dbraw/zinc/29/99/09/558299909.db2.gz IAEAMAUOWVKCRQ-UHFFFAOYSA-N 1 2 415.497 3.693 50 0 HHAALO Cn1ccnc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011936032 558299911 /nfs/dbraw/zinc/29/99/11/558299911.db2.gz IAEAMAUOWVKCRQ-UHFFFAOYSA-N 1 2 415.497 3.693 50 0 HHAALO CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1[nH+]ccn1C ZINC000011936032 558299912 /nfs/dbraw/zinc/29/99/12/558299912.db2.gz IAEAMAUOWVKCRQ-UHFFFAOYSA-N 1 2 415.497 3.693 50 0 HHAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020028743 558323046 /nfs/dbraw/zinc/32/30/46/558323046.db2.gz RRBLWLOIEOFJJY-GOSISDBHSA-N 1 2 422.287 3.587 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1OCc1ccccc1 ZINC000020081958 558330759 /nfs/dbraw/zinc/33/07/59/558330759.db2.gz GSYNWZMDNLSPDJ-UHFFFAOYSA-N 1 2 417.509 3.627 50 0 HHAALO CCOc1ccc(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000020101013 558331780 /nfs/dbraw/zinc/33/17/80/558331780.db2.gz KPXQMXYASSBWTD-UHFFFAOYSA-N 1 2 404.510 3.962 50 0 HHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000020201320 558345777 /nfs/dbraw/zinc/34/57/77/558345777.db2.gz OQBRJFNYACXYOK-NRFANRHFSA-N 1 2 401.551 3.876 50 0 HHAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000020201320 558345780 /nfs/dbraw/zinc/34/57/80/558345780.db2.gz OQBRJFNYACXYOK-NRFANRHFSA-N 1 2 401.551 3.876 50 0 HHAALO CCSc1nc2sc3c(c2c(NCC[NH+]2CCOCC2)n1)C[C@](C)(CC)OC3 ZINC000020395139 558359682 /nfs/dbraw/zinc/35/96/82/558359682.db2.gz RRUZZASYTNXAIM-FQEVSTJZSA-N 1 2 422.620 3.789 50 0 HHAALO Cc1nonc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020915111 558422676 /nfs/dbraw/zinc/42/26/76/558422676.db2.gz XFPZNHQFGRXCQP-UHFFFAOYSA-N 1 2 403.442 3.591 50 0 HHAALO Cc1nonc1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020915111 558422679 /nfs/dbraw/zinc/42/26/79/558422679.db2.gz XFPZNHQFGRXCQP-UHFFFAOYSA-N 1 2 403.442 3.591 50 0 HHAALO O=C(C1CC[NH+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1)N1CCCC1 ZINC000012586754 558434461 /nfs/dbraw/zinc/43/44/61/558434461.db2.gz WBJCJOPRGIZZMJ-UHFFFAOYSA-N 1 2 422.451 3.514 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[NH+]3CCC([C@H](O)c4cccs4)CC3)n2)cc1 ZINC000012593388 558436627 /nfs/dbraw/zinc/43/66/27/558436627.db2.gz NZHWHZXDMIXEAL-IBGZPJMESA-N 1 2 413.499 3.530 50 0 HHAALO O=C(c1cc2c(cccc2F)[nH]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000012793225 558466928 /nfs/dbraw/zinc/46/69/28/558466928.db2.gz TZEKQDDGFWFBBK-UHFFFAOYSA-N 1 2 401.869 3.797 50 0 HHAALO CCOc1cccc2cc(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(=O)oc21 ZINC000004370808 558479920 /nfs/dbraw/zinc/47/99/20/558479920.db2.gz NZUNEVHOJMFSOA-HNNXBMFYSA-N 1 2 403.438 3.868 50 0 HHAALO COC(=O)C[N@@H+]1CCCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000012976800 558491758 /nfs/dbraw/zinc/49/17/58/558491758.db2.gz CZIPRVZTBHPLIE-UHFFFAOYSA-N 1 2 416.572 3.722 50 0 HHAALO COC(=O)C[N@H+]1CCCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000012976800 558491760 /nfs/dbraw/zinc/49/17/60/558491760.db2.gz CZIPRVZTBHPLIE-UHFFFAOYSA-N 1 2 416.572 3.722 50 0 HHAALO CCc1cccc(C)c1N(C(=O)Cn1c(CCCO)[nH+]c2ccccc21)[C@@H](C)COC ZINC000013018329 558504386 /nfs/dbraw/zinc/50/43/86/558504386.db2.gz QKMXZYRTFASHTC-IBGZPJMESA-N 1 2 423.557 3.900 50 0 HHAALO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912813 558520103 /nfs/dbraw/zinc/52/01/03/558520103.db2.gz DHWZRKJLFMEDQQ-CQSZACIVSA-N 1 2 408.365 3.655 50 0 HHAALO OCC[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CCN1Cc1ccc(F)c(F)c1 ZINC000022919063 558522251 /nfs/dbraw/zinc/52/22/51/558522251.db2.gz ASAYGHNWFSTXTA-MRXNPFEDSA-N 1 2 403.498 3.643 50 0 HHAALO OCC[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CCN1Cc1ccc(F)c(F)c1 ZINC000022919063 558522252 /nfs/dbraw/zinc/52/22/52/558522252.db2.gz ASAYGHNWFSTXTA-MRXNPFEDSA-N 1 2 403.498 3.643 50 0 HHAALO C[C@H]1C[NH+](CCNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000023111007 558534519 /nfs/dbraw/zinc/53/45/19/558534519.db2.gz VUAOHTDBADETJC-IRXDYDNUSA-N 1 2 424.570 3.694 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000023389313 558556530 /nfs/dbraw/zinc/55/65/30/558556530.db2.gz RDSQGQABDFVACO-SFHVURJKSA-N 1 2 423.340 3.758 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023882820 558580109 /nfs/dbraw/zinc/58/01/09/558580109.db2.gz BURVXTMRFWTHLL-UHFFFAOYSA-N 1 2 416.525 3.512 50 0 HHAALO C[C@H](c1nnc(S[C@@H](C)C(=O)NC2CCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500411 558612637 /nfs/dbraw/zinc/61/26/37/558612637.db2.gz NDMDWXXFVSWENK-KGLIPLIRSA-N 1 2 405.543 3.568 50 0 HHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000025010280 558627046 /nfs/dbraw/zinc/62/70/46/558627046.db2.gz QOPJLCQKQMLYGT-UHFFFAOYSA-N 1 2 409.247 3.672 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCCC3)C2=O)c1 ZINC000014185891 558630785 /nfs/dbraw/zinc/63/07/85/558630785.db2.gz DBLIKZLYHYFBHD-IBGZPJMESA-N 1 2 415.534 3.833 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCCC3)C2=O)c1 ZINC000014185891 558630787 /nfs/dbraw/zinc/63/07/87/558630787.db2.gz DBLIKZLYHYFBHD-IBGZPJMESA-N 1 2 415.534 3.833 50 0 HHAALO COc1ccc([C@@H]([NH2+][C@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 ZINC000014196742 558633573 /nfs/dbraw/zinc/63/35/73/558633573.db2.gz GQJVAJLZGKXFDK-DQEYMECFSA-N 1 2 416.521 3.974 50 0 HHAALO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000025390309 558639830 /nfs/dbraw/zinc/63/98/30/558639830.db2.gz FSCVFQCSFJLGTL-CABCVRRESA-N 1 2 424.442 3.627 50 0 HHAALO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025468832 558641969 /nfs/dbraw/zinc/64/19/69/558641969.db2.gz HQSPGJHDORYMEH-FQEVSTJZSA-N 1 2 408.477 3.870 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c(F)c1 ZINC000027553379 558674887 /nfs/dbraw/zinc/67/48/87/558674887.db2.gz RYOBPOTYAFAXHE-UHFFFAOYSA-N 1 2 414.506 3.895 50 0 HHAALO COc1ccc(C[N@H+](Cc2cccc(C(F)(F)F)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027649893 558677720 /nfs/dbraw/zinc/67/77/20/558677720.db2.gz KUQCPHPMGWJSBP-SFHVURJKSA-N 1 2 413.461 3.903 50 0 HHAALO COc1ccc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027649893 558677723 /nfs/dbraw/zinc/67/77/23/558677723.db2.gz KUQCPHPMGWJSBP-SFHVURJKSA-N 1 2 413.461 3.903 50 0 HHAALO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1)c1ccccc1 ZINC000014970245 558687146 /nfs/dbraw/zinc/68/71/46/558687146.db2.gz NWTZJCLZRFZZMN-FQEVSTJZSA-N 1 2 411.531 3.503 50 0 HHAALO COc1cc(CC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000028683089 558703724 /nfs/dbraw/zinc/70/37/24/558703724.db2.gz NGPAVBWITMLHGQ-CQSZACIVSA-N 1 2 419.547 3.582 50 0 HHAALO COc1cc(CC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc(OC)c1OC ZINC000028683089 558703725 /nfs/dbraw/zinc/70/37/25/558703725.db2.gz NGPAVBWITMLHGQ-CQSZACIVSA-N 1 2 419.547 3.582 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000028927809 558707494 /nfs/dbraw/zinc/70/74/94/558707494.db2.gz RGXBJYRUEKFFGT-IBGZPJMESA-N 1 2 424.545 3.744 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000028927809 558707498 /nfs/dbraw/zinc/70/74/98/558707498.db2.gz RGXBJYRUEKFFGT-IBGZPJMESA-N 1 2 424.545 3.744 50 0 HHAALO COc1cccc([C@H](NC(=O)N[C@@H](C)c2cc(C)ccc2OC)c2[nH+]ccn2C)c1 ZINC000029332479 558713615 /nfs/dbraw/zinc/71/36/15/558713615.db2.gz PBPSCTHOWZCVBQ-KKSFZXQISA-N 1 2 408.502 3.896 50 0 HHAALO CC(C)S(=O)(=O)c1ncc(C[N@@H+]2C[C@H]3C[C@@H]2CCC3)n1CCc1ccccc1 ZINC000015075222 558715823 /nfs/dbraw/zinc/71/58/23/558715823.db2.gz RQGJGZXXWFZBMO-UXHICEINSA-N 1 2 401.576 3.682 50 0 HHAALO CC(C)S(=O)(=O)c1ncc(C[N@H+]2C[C@H]3C[C@@H]2CCC3)n1CCc1ccccc1 ZINC000015075222 558715826 /nfs/dbraw/zinc/71/58/26/558715826.db2.gz RQGJGZXXWFZBMO-UXHICEINSA-N 1 2 401.576 3.682 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc(C)nc4ccc(C)cc43)CC2)c1 ZINC000029984790 558725416 /nfs/dbraw/zinc/72/54/16/558725416.db2.gz NROYSNNWZAFHMY-UHFFFAOYSA-N 1 2 419.525 3.827 50 0 HHAALO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000030298040 558728452 /nfs/dbraw/zinc/72/84/52/558728452.db2.gz XEYACSIZCVJSOH-UHFFFAOYSA-N 1 2 413.884 3.898 50 0 HHAALO CCCCn1c(C[N@@H+]2CCc3sccc3[C@@H]2C)nc2cc(S(N)(=O)=O)ccc21 ZINC000015547812 558743335 /nfs/dbraw/zinc/74/33/35/558743335.db2.gz VRNLUHDEVWWLLM-AWEZNQCLSA-N 1 2 418.588 3.665 50 0 HHAALO CCCCn1c(C[N@H+]2CCc3sccc3[C@@H]2C)nc2cc(S(N)(=O)=O)ccc21 ZINC000015547812 558743338 /nfs/dbraw/zinc/74/33/38/558743338.db2.gz VRNLUHDEVWWLLM-AWEZNQCLSA-N 1 2 418.588 3.665 50 0 HHAALO O=C(CSCc1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020149246 558777938 /nfs/dbraw/zinc/77/79/38/558777938.db2.gz OCRAUQYIYLWOFX-UHFFFAOYSA-N 1 2 418.946 3.646 50 0 HHAALO Cc1cc(Cl)ccc1NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000018250931 558834834 /nfs/dbraw/zinc/83/48/34/558834834.db2.gz FHLBPOUDEKSMHZ-UHFFFAOYSA-N 1 2 403.935 3.892 50 0 HHAALO O=C(NCc1ccccc1Br)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071768 558866906 /nfs/dbraw/zinc/86/69/06/558866906.db2.gz NZGXJNOBOPUCHX-HNNXBMFYSA-N 1 2 413.319 3.858 50 0 HHAALO Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CC[NH+](C)CC1)CCCCC2 ZINC000055212204 558876430 /nfs/dbraw/zinc/87/64/30/558876430.db2.gz PSHYDUOEHUUAOU-UHFFFAOYSA-N 1 2 411.571 3.965 50 0 HHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ncnc5ccccc54)CC3)c(C)o2)cc1 ZINC000055270323 558878143 /nfs/dbraw/zinc/87/81/43/558878143.db2.gz NGDPFYSHHSYBGY-UHFFFAOYSA-N 1 2 415.497 3.924 50 0 HHAALO CCOc1cc(C(=O)NCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000046194908 558885575 /nfs/dbraw/zinc/88/55/75/558885575.db2.gz JYKGAUZQLKTJIT-HDICACEKSA-N 1 2 412.530 3.600 50 0 HHAALO CCOc1cc(C(=O)NCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000046194908 558885576 /nfs/dbraw/zinc/88/55/76/558885576.db2.gz JYKGAUZQLKTJIT-HDICACEKSA-N 1 2 412.530 3.600 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3nn(-c4ccccc4)c4c3CCC4)CC2)cc1F ZINC000058159264 558904386 /nfs/dbraw/zinc/90/43/86/558904386.db2.gz BMENIRZMZFSKCI-UHFFFAOYSA-N 1 2 420.532 3.827 50 0 HHAALO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000058172389 558908305 /nfs/dbraw/zinc/90/83/05/558908305.db2.gz WOAWLGZUECRSFJ-ZDUSSCGKSA-N 1 2 415.515 3.671 50 0 HHAALO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000058172389 558908307 /nfs/dbraw/zinc/90/83/07/558908307.db2.gz WOAWLGZUECRSFJ-ZDUSSCGKSA-N 1 2 415.515 3.671 50 0 HHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000058248462 558914924 /nfs/dbraw/zinc/91/49/24/558914924.db2.gz FLVIPEYGDVMYIU-LPWQTFTOSA-N 1 2 414.937 3.515 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 ZINC000063855853 558959559 /nfs/dbraw/zinc/95/95/59/558959559.db2.gz HDDJKMDKGFIZTR-UHFFFAOYSA-N 1 2 400.486 3.704 50 0 HHAALO O=C(c1cccc(F)c1)N(CCC[NH+]1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997693 558981937 /nfs/dbraw/zinc/98/19/37/558981937.db2.gz DMDOCCXMFDSWDZ-UHFFFAOYSA-N 1 2 417.481 3.944 50 0 HHAALO O=C(CCc1ccccc1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997267 558982490 /nfs/dbraw/zinc/98/24/90/558982490.db2.gz SENIDMFOGMNMOE-UHFFFAOYSA-N 1 2 409.555 3.984 50 0 HHAALO Cc1ccc(-c2nc(S[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)n[nH]2)cc1 ZINC000022025146 558985065 /nfs/dbraw/zinc/98/50/65/558985065.db2.gz MRZIBVNMCGQSKY-GOSISDBHSA-N 1 2 421.570 3.605 50 0 HHAALO COc1cc(OC)cc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000023106374 559010074 /nfs/dbraw/zinc/01/00/74/559010074.db2.gz UTHJGVYUOQYSHM-DEOSSOPVSA-N 1 2 420.509 3.660 50 0 HHAALO COc1cc(OC)cc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000023106371 559010131 /nfs/dbraw/zinc/01/01/31/559010131.db2.gz UTHJGVYUOQYSHM-XMMPIXPASA-N 1 2 420.509 3.660 50 0 HHAALO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1C ZINC000033312821 559054850 /nfs/dbraw/zinc/05/48/50/559054850.db2.gz JFUQXLRWHZBBQX-RUZDIDTESA-N 1 2 419.569 3.532 50 0 HHAALO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)cc1C ZINC000033312821 559054852 /nfs/dbraw/zinc/05/48/52/559054852.db2.gz JFUQXLRWHZBBQX-RUZDIDTESA-N 1 2 419.569 3.532 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000014122062 559152082 /nfs/dbraw/zinc/15/20/82/559152082.db2.gz SGQPTLPKTJPUSC-UHFFFAOYSA-N 1 2 408.420 3.681 50 0 HHAALO Cc1sc2ncnc(SCC(=O)N3CC[NH+](Cc4ccsc4)CC3)c2c1C ZINC000014168004 559154700 /nfs/dbraw/zinc/15/47/00/559154700.db2.gz PCDYOGQRYCOVKO-UHFFFAOYSA-N 1 2 418.613 3.806 50 0 HHAALO CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc([NH+](CC)CC)cc3C)ccc21 ZINC000004884535 559196613 /nfs/dbraw/zinc/19/66/13/559196613.db2.gz OPODXSSTAGIAMN-UHFFFAOYSA-N 1 2 415.559 3.941 50 0 HHAALO CCC[N@H+](CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C)Cc1ccccc1 ZINC000078800700 560540729 /nfs/dbraw/zinc/54/07/29/560540729.db2.gz LVAQGAOOGUHQHF-HXUWFJFHSA-N 1 2 402.560 3.559 50 0 HHAALO CCC[N@@H+](CC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C)Cc1ccccc1 ZINC000078800700 560540732 /nfs/dbraw/zinc/54/07/32/560540732.db2.gz LVAQGAOOGUHQHF-HXUWFJFHSA-N 1 2 402.560 3.559 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000102702527 560820378 /nfs/dbraw/zinc/82/03/78/560820378.db2.gz GBKHQRIPFHIPDL-GOSISDBHSA-N 1 2 414.513 3.848 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103518505 560842821 /nfs/dbraw/zinc/84/28/21/560842821.db2.gz LDLNTYIVGRZWTB-GMAHTHKFSA-N 1 2 411.461 3.786 50 0 HHAALO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907555 568416024 /nfs/dbraw/zinc/41/60/24/568416024.db2.gz YRLDBSBPHQFROF-QFIPXVFZSA-N 1 2 417.509 3.696 50 0 HHAALO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907555 568416025 /nfs/dbraw/zinc/41/60/25/568416025.db2.gz YRLDBSBPHQFROF-QFIPXVFZSA-N 1 2 417.509 3.696 50 0 HHAALO COc1cccc([C@@H](NC(=O)c2cc3ccccc3c(OC)n2)c2[nH+]ccn2C)c1 ZINC000048310424 568436644 /nfs/dbraw/zinc/43/66/44/568436644.db2.gz SXSSUVZXNKOSHJ-HXUWFJFHSA-N 1 2 402.454 3.505 50 0 HHAALO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(Cn4ccc(C(F)(F)F)n4)CC3)n2)cc1 ZINC000048340384 568440253 /nfs/dbraw/zinc/44/02/53/568440253.db2.gz DMTXBIQYFJNKQX-OAHLLOKOSA-N 1 2 420.439 3.597 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc(CN2CCCC2=O)c1 ZINC000048936920 568443725 /nfs/dbraw/zinc/44/37/25/568443725.db2.gz VELYIMJCSXXESD-UHFFFAOYSA-N 1 2 406.530 3.514 50 0 HHAALO O=C(C1c2ccccc2Oc2ccccc21)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031358 568445921 /nfs/dbraw/zinc/44/59/21/568445921.db2.gz GCYFUWJBUSIVPZ-IBGZPJMESA-N 1 2 420.534 3.864 50 0 HHAALO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1 ZINC000049403328 568448202 /nfs/dbraw/zinc/44/82/02/568448202.db2.gz AHVFYPLEAZQFSY-UHFFFAOYSA-N 1 2 410.449 3.702 50 0 HHAALO O=C(C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1)Nc1cc(F)ccc1F ZINC000049403535 568448316 /nfs/dbraw/zinc/44/83/16/568448316.db2.gz HZPSRUIBAKAFIM-UHFFFAOYSA-N 1 2 404.442 3.894 50 0 HHAALO NC(=O)CCN1CC[NH+]([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041509 568473286 /nfs/dbraw/zinc/47/32/86/568473286.db2.gz OGAAPGIBCNGJKO-SFHVURJKSA-N 1 2 401.963 3.581 50 0 HHAALO O=C(NC(=S)N1CC[NH+](C/C=C\c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033574177 568515580 /nfs/dbraw/zinc/51/55/80/568515580.db2.gz BTAJNLIEGSIGIW-DAXSKMNVSA-N 1 2 423.626 3.935 50 0 HHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2 ZINC000020111839 568588810 /nfs/dbraw/zinc/58/88/10/568588810.db2.gz IAULXNBRRKXZQM-OAHLLOKOSA-N 1 2 418.287 3.988 50 0 biogenic HHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2 ZINC000020111839 568588811 /nfs/dbraw/zinc/58/88/11/568588811.db2.gz IAULXNBRRKXZQM-OAHLLOKOSA-N 1 2 418.287 3.988 50 0 biogenic HHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4cc(OC)ccc4OC)c(N)c3cc2C1 ZINC000020289928 568597970 /nfs/dbraw/zinc/59/79/70/568597970.db2.gz XJDMLTNSMRBXPS-UHFFFAOYSA-N 1 2 412.515 3.526 50 0 HHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4cc(OC)ccc4OC)c(N)c3cc2C1 ZINC000020289928 568597972 /nfs/dbraw/zinc/59/79/72/568597972.db2.gz XJDMLTNSMRBXPS-UHFFFAOYSA-N 1 2 412.515 3.526 50 0 HHAALO Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000020514484 568622365 /nfs/dbraw/zinc/62/23/65/568622365.db2.gz WINZBXSEZOQJRJ-PMERELPUSA-N 1 2 422.550 3.854 50 0 HHAALO CC(C)c1sc(Cl)nc1C(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000095472281 568627476 /nfs/dbraw/zinc/62/74/76/568627476.db2.gz WPKNJOJBHYUALR-UHFFFAOYSA-N 1 2 403.939 3.769 50 0 HHAALO COc1cc(C[N@@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)cc(OC)c1OC ZINC000021038833 568659896 /nfs/dbraw/zinc/65/98/96/568659896.db2.gz XIGHSSJVYWPILD-UHFFFAOYSA-N 1 2 424.476 3.943 50 0 HHAALO COc1cc(C[N@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)cc(OC)c1OC ZINC000021038833 568659898 /nfs/dbraw/zinc/65/98/98/568659898.db2.gz XIGHSSJVYWPILD-UHFFFAOYSA-N 1 2 424.476 3.943 50 0 HHAALO CC[C@@H](C(=O)N1CC[NH+](Cc2cc(=O)oc3ccc(OC)cc23)CC1)c1ccccc1 ZINC000021173283 568676678 /nfs/dbraw/zinc/67/66/78/568676678.db2.gz JINFRMXFLZTSLH-OAQYLSRUSA-N 1 2 420.509 3.640 50 0 HHAALO Nc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc(=S)n1-c1ccccc1 ZINC000096191229 568703400 /nfs/dbraw/zinc/70/34/00/568703400.db2.gz QJIVWLPGOVHVEY-UHFFFAOYSA-N 1 2 410.568 3.808 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000229356095 568713907 /nfs/dbraw/zinc/71/39/07/568713907.db2.gz LHUXTFSETGOBKJ-GOEBONIOSA-N 1 2 420.859 3.677 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000229356095 568713908 /nfs/dbraw/zinc/71/39/08/568713908.db2.gz LHUXTFSETGOBKJ-GOEBONIOSA-N 1 2 420.859 3.677 50 0 HHAALO CCNC(=O)N1CCN(c2nc([C@@H](C)CC)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096317005 568726366 /nfs/dbraw/zinc/72/63/66/568726366.db2.gz MEGURYITMVNREL-INIZCTEOSA-N 1 2 413.541 3.880 50 0 HHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccc(F)cc4)CC3)no2)cc1 ZINC000021724227 568751041 /nfs/dbraw/zinc/75/10/41/568751041.db2.gz VCOCDAOWCLWXBX-UHFFFAOYSA-N 1 2 408.477 3.713 50 0 HHAALO COc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724604 568751261 /nfs/dbraw/zinc/75/12/61/568751261.db2.gz KZODFBBFGLXYOC-HXUWFJFHSA-N 1 2 420.513 3.582 50 0 HHAALO COc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724604 568751264 /nfs/dbraw/zinc/75/12/64/568751264.db2.gz KZODFBBFGLXYOC-HXUWFJFHSA-N 1 2 420.513 3.582 50 0 HHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460548 568768351 /nfs/dbraw/zinc/76/83/51/568768351.db2.gz SIFYLFCERPLKRX-HNAYVOBHSA-N 1 2 406.596 3.941 50 0 HHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460553 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POSJLMPBDCEERV-IBGZPJMESA-N 1 2 407.499 3.708 50 0 HHAALO O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000012543462 568849281 /nfs/dbraw/zinc/84/92/81/568849281.db2.gz VOOHXVADQMJTMA-UHFFFAOYSA-N 1 2 414.481 3.771 50 0 HHAALO CCCCCc1ccc(NC(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000058010743 568875579 /nfs/dbraw/zinc/87/55/79/568875579.db2.gz PKQUIMJDXPVBCT-UHFFFAOYSA-N 1 2 402.583 3.874 50 0 HHAALO CCCCCc1ccc(NC(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000058010743 568875581 /nfs/dbraw/zinc/87/55/81/568875581.db2.gz PKQUIMJDXPVBCT-UHFFFAOYSA-N 1 2 402.583 3.874 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccccc1-c1ccccc1 ZINC000031557676 568928110 /nfs/dbraw/zinc/92/81/10/568928110.db2.gz IOJPVSZGPXVKAD-QFIPXVFZSA-N 1 2 403.482 3.666 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccccc1-c1ccccc1 ZINC000031557676 568928113 /nfs/dbraw/zinc/92/81/13/568928113.db2.gz IOJPVSZGPXVKAD-QFIPXVFZSA-N 1 2 403.482 3.666 50 0 HHAALO 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419.447 3.549 50 0 HHAALO Cc1ccnc(Nc2cc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)[nH+]c(C)n2)c1 ZINC000090607935 569042218 /nfs/dbraw/zinc/04/22/18/569042218.db2.gz QHFRBNKCPBYBCH-CMDGGOBGSA-N 1 2 414.513 3.594 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)c1 ZINC000247871096 569057575 /nfs/dbraw/zinc/05/75/75/569057575.db2.gz LKISCTNMRXYASH-XSDIEEQYSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)c1 ZINC000247871096 569057576 /nfs/dbraw/zinc/05/75/76/569057576.db2.gz LKISCTNMRXYASH-XSDIEEQYSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)n1 ZINC000426518328 569073315 /nfs/dbraw/zinc/07/33/15/569073315.db2.gz NGAFXTWLHXTFEP-DEOSSOPVSA-N 1 2 409.578 3.684 50 0 HHAALO Cc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)n1 ZINC000426518328 569073316 /nfs/dbraw/zinc/07/33/16/569073316.db2.gz NGAFXTWLHXTFEP-DEOSSOPVSA-N 1 2 409.578 3.684 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Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000007268088 569231106 /nfs/dbraw/zinc/23/11/06/569231106.db2.gz JFVZCMTYEQPRKN-HNNXBMFYSA-N 1 2 424.383 3.807 50 0 HHAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000007268088 569231107 /nfs/dbraw/zinc/23/11/07/569231107.db2.gz JFVZCMTYEQPRKN-HNNXBMFYSA-N 1 2 424.383 3.807 50 0 HHAALO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000014238977 569259067 /nfs/dbraw/zinc/25/90/67/569259067.db2.gz DDZUGHWQVJZNCB-UHFFFAOYSA-N 1 2 413.568 3.563 50 0 HHAALO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000089694227 569262560 /nfs/dbraw/zinc/26/25/60/569262560.db2.gz LUZRVGXPXUTUET-QFIPXVFZSA-N 1 2 411.546 3.885 50 0 HHAALO Cc1noc2nc(-c3cccs3)cc(C(=O)N3CC[NH+](Cc4ccco4)CC3)c12 ZINC000054671384 569293568 /nfs/dbraw/zinc/29/35/68/569293568.db2.gz RTQFEGJAKTYALJ-UHFFFAOYSA-N 1 2 408.483 3.811 50 0 HHAALO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926908 569327350 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CCO[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C12CCCCC2 ZINC000078879018 569421304 /nfs/dbraw/zinc/42/13/04/569421304.db2.gz VVJBKKMNLJUZHK-LEWJYISDSA-N 1 2 424.545 3.770 50 0 HHAALO COc1ccc(-c2ccc(=O)n(C[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1OC ZINC000079481228 569431891 /nfs/dbraw/zinc/43/18/91/569431891.db2.gz NBVIBSFXZZMTIS-UHFFFAOYSA-N 1 2 419.525 3.840 50 0 HHAALO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777803 571118055 /nfs/dbraw/zinc/11/80/55/571118055.db2.gz FVGURTNJRHWURG-UGSOOPFHSA-N 1 2 418.400 3.689 50 0 HHAALO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccn3)cs1)c1ccccc1OC2 ZINC000008777796 571118221 /nfs/dbraw/zinc/11/82/21/571118221.db2.gz NYMHRIAICFXFAB-SGTLLEGYSA-N 1 2 418.400 3.689 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040096704 571162262 /nfs/dbraw/zinc/16/22/62/571162262.db2.gz MBJAWWROMVALBQ-UHFFFAOYSA-N 1 2 404.301 3.991 50 0 HHAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000040103596 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Cn1ccnc1C[NH+]1CCC(Oc2ccc(Cl)cc2C(=O)NC(C)(C)C)CC1 ZINC000011819877 962199500 /nfs/dbraw/zinc/19/95/00/962199500.db2.gz CPPMPRODOVZIMT-UHFFFAOYSA-N 1 2 404.942 3.645 50 0 HHAALO CCOC(=O)c1nn(Cc2ccccn2)c2c1C[N@H+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000014543032 962526533 /nfs/dbraw/zinc/52/65/33/962526533.db2.gz FRAUQZBZUATNSD-KRWDZBQOSA-N 1 2 422.529 3.956 50 0 HHAALO CCOC(=O)c1nn(Cc2ccccn2)c2c1C[N@@H+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000014543032 962526541 /nfs/dbraw/zinc/52/65/41/962526541.db2.gz FRAUQZBZUATNSD-KRWDZBQOSA-N 1 2 422.529 3.956 50 0 HHAALO Cc1n[nH]c(C)c1CCN(C)C(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015002392 962623531 /nfs/dbraw/zinc/62/35/31/962623531.db2.gz AAMQMMJXNMCGDY-QFIPXVFZSA-N 1 2 424.570 3.725 50 0 HHAALO Cc1n[nH]c(C)c1CCN(C)C(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000015002392 962623545 /nfs/dbraw/zinc/62/35/45/962623545.db2.gz AAMQMMJXNMCGDY-QFIPXVFZSA-N 1 2 424.570 3.725 50 0 HHAALO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096879005 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1 2 402.477 3.898 50 0 HHAALO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012770965 132366933 /nfs/dbraw/zinc/36/69/33/132366933.db2.gz BRFPZEFTCXWWAX-UHFFFAOYSA-N 1 2 402.926 3.598 50 0 HHAALO COc1ccc(CCC(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1OC ZINC000013718946 132459059 /nfs/dbraw/zinc/45/90/59/132459059.db2.gz LXULSKSLRAMZMP-UHFFFAOYSA-N 1 2 419.525 3.842 50 0 HHAALO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312766 524043600 /nfs/dbraw/zinc/04/36/00/524043600.db2.gz YDKOSFYREXZQGA-UQBPGWFLSA-N 1 2 419.569 3.648 50 0 HHAALO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312766 524043605 /nfs/dbraw/zinc/04/36/05/524043605.db2.gz YDKOSFYREXZQGA-UQBPGWFLSA-N 1 2 419.569 3.648 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+](C)CCOc3ccccc3Cl)n2)cc1 ZINC000032868824 524978629 /nfs/dbraw/zinc/97/86/29/524978629.db2.gz DZSRTMCEIGPZJT-UHFFFAOYSA-N 1 2 403.866 3.821 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+](C)CCOc3ccccc3Cl)n2)cc1 ZINC000032868824 524978646 /nfs/dbraw/zinc/97/86/46/524978646.db2.gz DZSRTMCEIGPZJT-UHFFFAOYSA-N 1 2 403.866 3.821 50 0 HHAALO Cc1ccc([C@@H](O)CNC(=O)c2ccc(OCc3cn4cc(C)ccc4[nH+]3)cc2)cc1 ZINC000032025559 525781344 /nfs/dbraw/zinc/78/13/44/525781344.db2.gz PNRQLSGSVJMUDM-QHCPKHFHSA-N 1 2 415.493 3.994 50 0 HHAALO O=C(C[NH+]1CC(c2nc(-c3ccsc3)no2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000077099603 526724168 /nfs/dbraw/zinc/72/41/68/526724168.db2.gz HSSUODGEFKUBQJ-UHFFFAOYSA-N 1 2 424.404 3.735 50 0 HHAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000032778163 526771405 /nfs/dbraw/zinc/77/14/05/526771405.db2.gz DXDDXVORGXSZEK-QFIPXVFZSA-N 1 2 424.460 3.652 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000031890351 527508224 /nfs/dbraw/zinc/50/82/24/527508224.db2.gz RXXXRJNQGHVEET-GOSISDBHSA-N 1 2 424.570 3.609 50 0 HHAALO O=C(Nc1ccc(F)cc1)c1coc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000034678034 557365968 /nfs/dbraw/zinc/36/59/68/557365968.db2.gz JJWBLZLIDWXFAD-UHFFFAOYSA-N 1 2 412.440 3.523 50 0 HHAALO CC(C)CN(C[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1)C(=O)c1ccccc1F ZINC000034691276 557371620 /nfs/dbraw/zinc/37/16/20/557371620.db2.gz JDPXCCWFZWZGDA-HXUWFJFHSA-N 1 2 402.485 3.964 50 0 HHAALO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1)C(=O)c1ccccc1F ZINC000034691276 557371622 /nfs/dbraw/zinc/37/16/22/557371622.db2.gz JDPXCCWFZWZGDA-HXUWFJFHSA-N 1 2 402.485 3.964 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000002876273 557416971 /nfs/dbraw/zinc/41/69/71/557416971.db2.gz KOBSNTCMQVRZQT-SJORKVTESA-N 1 2 418.423 3.560 50 0 HHAALO O=C1NC2(CC[NH+](Cc3cccc(F)c3F)CC2)Nc2ccc(Br)cc21 ZINC000034812228 557464784 /nfs/dbraw/zinc/46/47/84/557464784.db2.gz AXXVKKRDBKCEGO-UHFFFAOYSA-N 1 2 422.273 3.875 50 0 HHAALO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855600 557476790 /nfs/dbraw/zinc/47/67/90/557476790.db2.gz HDEIWTQUDNXEQS-WNSKOXEYSA-N 1 2 412.505 3.857 50 0 HHAALO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855600 557476794 /nfs/dbraw/zinc/47/67/94/557476794.db2.gz HDEIWTQUDNXEQS-WNSKOXEYSA-N 1 2 412.505 3.857 50 0 HHAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3Cl)s2)no1 ZINC000022768246 557818380 /nfs/dbraw/zinc/81/83/80/557818380.db2.gz BVTKXJCASNDIQI-UHFFFAOYSA-N 1 2 420.922 3.615 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(C)C)cc1)[NH+]1CCC(O)CC1)S2 ZINC000022855203 557842446 /nfs/dbraw/zinc/84/24/46/557842446.db2.gz SLKAUBKGYYKXQF-GOSISDBHSA-N 1 2 400.548 3.728 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794687 558283923 /nfs/dbraw/zinc/28/39/23/558283923.db2.gz FXCBDRDNWHMBSG-HSZRJFAPSA-N 1 2 407.558 3.684 50 0 HHAALO COc1cc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(C)C ZINC000019875076 558299923 /nfs/dbraw/zinc/29/99/23/558299923.db2.gz LVYJKRIXRXEBOZ-UHFFFAOYSA-N 1 2 402.560 3.634 50 0 HHAALO O=C(NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019901804 558305146 /nfs/dbraw/zinc/30/51/46/558305146.db2.gz BTAJNLIEGSIGIW-QPJJXVBHSA-N 1 2 423.626 3.935 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1 ZINC000020103150 558332564 /nfs/dbraw/zinc/33/25/64/558332564.db2.gz ZRALRRXQHCUDLL-UHFFFAOYSA-N 1 2 420.509 3.580 50 0 HHAALO CCCCn1c(C[N@H+](C)CCc2ccccn2)cnc1S(=O)(=O)C1CCCCC1 ZINC000020149136 558340110 /nfs/dbraw/zinc/34/01/10/558340110.db2.gz JWSXUWLHCIAFCO-UHFFFAOYSA-N 1 2 418.607 3.859 50 0 HHAALO CCCCn1c(C[N@@H+](C)CCc2ccccn2)cnc1S(=O)(=O)C1CCCCC1 ZINC000020149136 558340114 /nfs/dbraw/zinc/34/01/14/558340114.db2.gz JWSXUWLHCIAFCO-UHFFFAOYSA-N 1 2 418.607 3.859 50 0 HHAALO COc1ccc2[nH]c(C)c(C(=O)CN3CC[NH+](C/C=C/c4ccccc4)CC3)c2c1 ZINC000020190212 558344308 /nfs/dbraw/zinc/34/43/08/558344308.db2.gz RFIYUELTRBMMNL-RMKNXTFCSA-N 1 2 403.526 3.999 50 0 HHAALO Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCC[NH+]1CCOCC1 ZINC000020295285 558354603 /nfs/dbraw/zinc/35/46/03/558354603.db2.gz BYJIAFDLCTUNNQ-UHFFFAOYSA-N 1 2 409.917 3.926 50 0 HHAALO COc1ccc(CN2CC[NH+](CCOc3ccccc3Cl)CC2)c(OC)c1OC ZINC000020322787 558355253 /nfs/dbraw/zinc/35/52/53/558355253.db2.gz YCXAKFSQDWGVCJ-UHFFFAOYSA-N 1 2 420.937 3.562 50 0 HHAALO COc1ccc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)c(OC)c1OC ZINC000020322787 558355255 /nfs/dbraw/zinc/35/52/55/558355255.db2.gz YCXAKFSQDWGVCJ-UHFFFAOYSA-N 1 2 420.937 3.562 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020332715 558356052 /nfs/dbraw/zinc/35/60/52/558356052.db2.gz ZWAWMFMLFCFDMR-AFXVXQJMSA-N 1 2 424.456 3.528 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020332715 558356054 /nfs/dbraw/zinc/35/60/54/558356054.db2.gz ZWAWMFMLFCFDMR-AFXVXQJMSA-N 1 2 424.456 3.528 50 0 HHAALO CCSc1nc2sc3c(c2c(NCC[NH+]2CCOCC2)n1)C[C@@](C)(CC)OC3 ZINC000020395136 558359651 /nfs/dbraw/zinc/35/96/51/558359651.db2.gz RRUZZASYTNXAIM-HXUWFJFHSA-N 1 2 422.620 3.789 50 0 HHAALO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000020616063 558392754 /nfs/dbraw/zinc/39/27/54/558392754.db2.gz XGZYWWCUUCAWOB-UHFFFAOYSA-N 1 2 423.488 3.968 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)NCc1ccccc1 ZINC000004341702 558425182 /nfs/dbraw/zinc/42/51/82/558425182.db2.gz MDZGEKSKJSXGFQ-UHFFFAOYSA-N 1 2 409.902 3.877 50 0 HHAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004341545 558425298 /nfs/dbraw/zinc/42/52/98/558425298.db2.gz IAQCYJOTQJBMLW-UHFFFAOYSA-N 1 2 409.446 3.694 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000012797915 558470043 /nfs/dbraw/zinc/47/00/43/558470043.db2.gz UIJFRBBZERYJOE-UHFFFAOYSA-N 1 2 420.340 3.960 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000022240718 558471708 /nfs/dbraw/zinc/47/17/08/558471708.db2.gz ZGCQRERMBFUVNP-KRWDZBQOSA-N 1 2 415.559 3.949 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000022240718 558471709 /nfs/dbraw/zinc/47/17/09/558471709.db2.gz ZGCQRERMBFUVNP-KRWDZBQOSA-N 1 2 415.559 3.949 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374862 558554518 /nfs/dbraw/zinc/55/45/18/558554518.db2.gz YUOIRBBLTKYSQJ-QHCPKHFHSA-N 1 2 404.558 3.762 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374862 558554520 /nfs/dbraw/zinc/55/45/20/558554520.db2.gz YUOIRBBLTKYSQJ-QHCPKHFHSA-N 1 2 404.558 3.762 50 0 HHAALO O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023417455 558557824 /nfs/dbraw/zinc/55/78/24/558557824.db2.gz NLEYMXJRSFCXGH-UHFFFAOYSA-N 1 2 420.534 3.702 50 0 HHAALO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000023466451 558558989 /nfs/dbraw/zinc/55/89/89/558558989.db2.gz YBYNFPQNFVZXRM-DEOSSOPVSA-N 1 2 416.525 3.982 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1F ZINC000023819509 558576995 /nfs/dbraw/zinc/57/69/95/558576995.db2.gz JIGBWBGANIBYGN-UHFFFAOYSA-N 1 2 409.505 3.983 50 0 HHAALO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000023993362 558584095 /nfs/dbraw/zinc/58/40/95/558584095.db2.gz VAZZORYVRLNHMC-UHFFFAOYSA-N 1 2 421.360 3.996 50 0 HHAALO O=S(=O)(c1cc(F)cc(F)c1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000024708026 558608281 /nfs/dbraw/zinc/60/82/81/558608281.db2.gz MOFIUKZFMCGRIW-UHFFFAOYSA-N 1 2 408.495 3.686 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014183541 558629155 /nfs/dbraw/zinc/62/91/55/558629155.db2.gz RXCOQKSZTZUGRW-GOSISDBHSA-N 1 2 409.313 3.562 50 0 HHAALO O=c1c2c(C3CC3)csc2nc(SCC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000014197758 558634352 /nfs/dbraw/zinc/63/43/52/558634352.db2.gz WVZJBMSEXAIIPO-UHFFFAOYSA-N 1 2 413.568 3.749 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+](CN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)CC1 ZINC000025286013 558636777 /nfs/dbraw/zinc/63/67/77/558636777.db2.gz UXWOUCWQRPSOCM-VGSWGCGISA-N 1 2 403.954 3.539 50 0 HHAALO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000026386821 558660200 /nfs/dbraw/zinc/66/02/00/558660200.db2.gz VIXKAFMEUZDMTI-ZDUSSCGKSA-N 1 2 409.317 3.785 50 0 HHAALO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026604284 558663580 /nfs/dbraw/zinc/66/35/80/558663580.db2.gz LJTWYCFEFQQWDW-QGZVFWFLSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026604284 558663581 /nfs/dbraw/zinc/66/35/81/558663581.db2.gz LJTWYCFEFQQWDW-QGZVFWFLSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014929280 558679466 /nfs/dbraw/zinc/67/94/66/558679466.db2.gz TVQVNQMJJBMNFT-GOSISDBHSA-N 1 2 408.527 3.880 50 0 HHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014929280 558679470 /nfs/dbraw/zinc/67/94/70/558679470.db2.gz TVQVNQMJJBMNFT-GOSISDBHSA-N 1 2 408.527 3.880 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000028065370 558690620 /nfs/dbraw/zinc/69/06/20/558690620.db2.gz SMELWYAABSTMBE-GXTWGEPZSA-N 1 2 423.485 3.690 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000028065370 558690623 /nfs/dbraw/zinc/69/06/23/558690623.db2.gz SMELWYAABSTMBE-GXTWGEPZSA-N 1 2 423.485 3.690 50 0 HHAALO CC(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCOCC2)cc1 ZINC000028291399 558697610 /nfs/dbraw/zinc/69/76/10/558697610.db2.gz DRYGTLQLRZKEHM-JOCHJYFZSA-N 1 2 420.509 3.720 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)CC(C)C)C3)n2)c(OC)c1OC ZINC000015066230 558709179 /nfs/dbraw/zinc/70/91/79/558709179.db2.gz BFXUYORKMKJSSR-HNNXBMFYSA-N 1 2 417.506 3.590 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)CC(C)C)C3)n2)c(OC)c1OC ZINC000015066230 558709181 /nfs/dbraw/zinc/70/91/81/558709181.db2.gz BFXUYORKMKJSSR-HNNXBMFYSA-N 1 2 417.506 3.590 50 0 HHAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000015071409 558713042 /nfs/dbraw/zinc/71/30/42/558713042.db2.gz FLVZCPVOSYJLKI-UHFFFAOYSA-N 1 2 408.502 3.917 50 0 HHAALO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc(C)c1Cl ZINC000015669925 558748031 /nfs/dbraw/zinc/74/80/31/558748031.db2.gz KDHOIXFMNXZEHZ-SFHVURJKSA-N 1 2 401.938 3.506 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000015859891 558757649 /nfs/dbraw/zinc/75/76/49/558757649.db2.gz AGDZVTALUXFZGO-INIZCTEOSA-N 1 2 400.862 3.996 50 0 HHAALO Cc1cccc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)c1C ZINC000004583860 558774064 /nfs/dbraw/zinc/77/40/64/558774064.db2.gz CLGUOTDINXVNAV-UHFFFAOYSA-N 1 2 418.493 3.832 50 0 HHAALO Cc1cccc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)c1C ZINC000004583860 558774066 /nfs/dbraw/zinc/77/40/66/558774066.db2.gz CLGUOTDINXVNAV-UHFFFAOYSA-N 1 2 418.493 3.832 50 0 HHAALO Cc1cccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000036311051 558798950 /nfs/dbraw/zinc/79/89/50/558798950.db2.gz MTQPUBPBSOIQDJ-HXUWFJFHSA-N 1 2 400.567 3.618 50 0 HHAALO Cc1ccc2n[nH]c(C(=O)N3CCC[C@H]([NH+]4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090751 558872093 /nfs/dbraw/zinc/87/20/93/558872093.db2.gz PTSUEFBWPBOWQO-FQEVSTJZSA-N 1 2 417.557 3.607 50 0 HHAALO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055099696 558872345 /nfs/dbraw/zinc/87/23/45/558872345.db2.gz MSLVCMAGSCJNAA-HXUWFJFHSA-N 1 2 419.481 3.796 50 0 HHAALO COC(=O)[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055099696 558872347 /nfs/dbraw/zinc/87/23/47/558872347.db2.gz MSLVCMAGSCJNAA-HXUWFJFHSA-N 1 2 419.481 3.796 50 0 HHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)CSCc2ccc(F)cc2)CC1 ZINC000033106656 558874242 /nfs/dbraw/zinc/87/42/42/558874242.db2.gz GWJWRUJFBHRYCY-UHFFFAOYSA-N 1 2 412.534 3.777 50 0 HHAALO C[C@]1(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)CCCC[C@H]1c1ccc(O)cc1 ZINC000055552699 558882355 /nfs/dbraw/zinc/88/23/55/558882355.db2.gz QJDUGJCDLGRUEZ-ZCYQVOJMSA-N 1 2 407.558 3.747 50 0 HHAALO COc1cc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000057530796 558888963 /nfs/dbraw/zinc/88/89/63/558888963.db2.gz RIANJIXHGWTYPH-UHFFFAOYSA-N 1 2 419.909 3.716 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000058171219 558908136 /nfs/dbraw/zinc/90/81/36/558908136.db2.gz RXNODNWHYZSMSM-HSZRJFAPSA-N 1 2 415.537 3.614 50 0 HHAALO COc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1OCc1ccccc1 ZINC000019561733 558922599 /nfs/dbraw/zinc/92/25/99/558922599.db2.gz PQTHPNLPQOMALV-UHFFFAOYSA-N 1 2 403.526 3.987 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1OCc1ccccc1 ZINC000019561733 558922603 /nfs/dbraw/zinc/92/26/03/558922603.db2.gz PQTHPNLPQOMALV-UHFFFAOYSA-N 1 2 403.526 3.987 50 0 HHAALO CCOCCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002490 558968874 /nfs/dbraw/zinc/96/88/74/558968874.db2.gz UGJXXYBEWGJIIH-UHFFFAOYSA-N 1 2 418.541 3.718 50 0 HHAALO O=C(c1ccco1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2Cl)s1 ZINC000022997404 558982438 /nfs/dbraw/zinc/98/24/38/558982438.db2.gz MGHCQQHBGJLPAZ-UHFFFAOYSA-N 1 2 405.907 3.912 50 0 HHAALO O=C(c1cccc(F)c1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997438 558982476 /nfs/dbraw/zinc/98/24/76/558982476.db2.gz NJGJECDJAPWGDD-UHFFFAOYSA-N 1 2 417.481 3.944 50 0 HHAALO C[C@@H]1C(=O)NCC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072447371 558982645 /nfs/dbraw/zinc/98/26/45/558982645.db2.gz WNFQAOFNGPMASK-CYBMUJFWSA-N 1 2 409.873 3.604 50 0 HHAALO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072447371 558982646 /nfs/dbraw/zinc/98/26/46/558982646.db2.gz WNFQAOFNGPMASK-CYBMUJFWSA-N 1 2 409.873 3.604 50 0 HHAALO Cc1cc(C)c(C)c(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1C ZINC000023127793 559016137 /nfs/dbraw/zinc/01/61/37/559016137.db2.gz TWKFIOZNVZGJSU-JOCHJYFZSA-N 1 2 416.587 3.662 50 0 HHAALO Cc1cc(C)c(C)c(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c1C ZINC000023127793 559016139 /nfs/dbraw/zinc/01/61/39/559016139.db2.gz TWKFIOZNVZGJSU-JOCHJYFZSA-N 1 2 416.587 3.662 50 0 HHAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3Cl)s2)on1 ZINC000023128093 559016263 /nfs/dbraw/zinc/01/62/63/559016263.db2.gz XMOUOWZBGWFQLB-UHFFFAOYSA-N 1 2 420.922 3.615 50 0 HHAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000023153780 559021755 /nfs/dbraw/zinc/02/17/55/559021755.db2.gz UJTWCWVWIOXRPL-UHFFFAOYSA-N 1 2 405.523 3.966 50 0 HHAALO Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000023153780 559021757 /nfs/dbraw/zinc/02/17/57/559021757.db2.gz UJTWCWVWIOXRPL-UHFFFAOYSA-N 1 2 405.523 3.966 50 0 HHAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=O)NC(C)(C)C)CC2)N([C@@H](C)c2ccccc2)C1=O ZINC000096211070 559101595 /nfs/dbraw/zinc/10/15/95/559101595.db2.gz XIOWACXLIDRGLI-CMKODMSKSA-N 1 2 414.594 3.894 50 0 HHAALO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@@H]2c1ccc(Cl)cc1 ZINC000100134399 559162899 /nfs/dbraw/zinc/16/28/99/559162899.db2.gz NBQXSMUQWZPLJA-SFHVURJKSA-N 1 2 414.296 3.977 50 0 HHAALO O=C(Nc1ccc(Br)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013328357 559286854 /nfs/dbraw/zinc/28/68/54/559286854.db2.gz VTXQVDZXESEDOG-UHFFFAOYSA-N 1 2 409.715 3.847 50 0 HHAALO CN(Cc1ccccc1)C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000008724148 560637873 /nfs/dbraw/zinc/63/78/73/560637873.db2.gz WBTSVFKTMVBNLO-UHFFFAOYSA-N 1 2 421.570 3.614 50 0 HHAALO COc1ccc(-c2nc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)cs2)cc1 ZINC000018214177 560784840 /nfs/dbraw/zinc/78/48/40/560784840.db2.gz SICZMODJVVGLQE-UHFFFAOYSA-N 1 2 423.538 3.581 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103518510 560842805 /nfs/dbraw/zinc/84/28/05/560842805.db2.gz LDLNTYIVGRZWTB-JTHBVZDNSA-N 1 2 411.461 3.786 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)Cn3cc[nH+]c3)[C@H]2c2cccs2)cc1 ZINC000106111028 560884777 /nfs/dbraw/zinc/88/47/77/560884777.db2.gz PIIOCFNCGFZODF-MMOPVJDHSA-N 1 2 408.527 3.552 50 0 HHAALO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(c3cccc[nH+]3)C[C@@H]12 ZINC000025184349 560891328 /nfs/dbraw/zinc/89/13/28/560891328.db2.gz QPWJIZCPRNXAPB-BVAGGSTKSA-N 1 2 423.520 3.742 50 0 HHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000022907407 568415872 /nfs/dbraw/zinc/41/58/72/568415872.db2.gz ZXEUHSWCEHFFOQ-HXUWFJFHSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1 ZINC000022907407 568415875 /nfs/dbraw/zinc/41/58/75/568415875.db2.gz ZXEUHSWCEHFFOQ-HXUWFJFHSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000048249347 568433300 /nfs/dbraw/zinc/43/33/00/568433300.db2.gz ZFRBADOOUXQWJQ-NRFANRHFSA-N 1 2 422.529 3.510 50 0 HHAALO O=S(=O)(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000048309471 568436364 /nfs/dbraw/zinc/43/63/64/568436364.db2.gz BNHKWMJSDWIRTC-GOSISDBHSA-N 1 2 400.878 3.734 50 0 HHAALO CC1CCN(c2ccc(CNC(=O)CCc3nnc(-c4ccsc4)o3)c[nH+]2)CC1 ZINC000048310500 568436636 /nfs/dbraw/zinc/43/66/36/568436636.db2.gz FAMKNNHLMJIYPW-UHFFFAOYSA-N 1 2 411.531 3.678 50 0 HHAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000049403407 568448367 /nfs/dbraw/zinc/44/83/67/568448367.db2.gz UGQXZJACAJJPDE-UHFFFAOYSA-N 1 2 422.460 3.896 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049600780 568452471 /nfs/dbraw/zinc/45/24/71/568452471.db2.gz LIJQTRHPAPNEOK-LJQANCHMSA-N 1 2 412.493 3.656 50 0 HHAALO C[C@@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020288699 568597861 /nfs/dbraw/zinc/59/78/61/568597861.db2.gz CXPFBDGNSOFFAZ-XXBNENTESA-N 1 2 420.582 3.821 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000020662118 568639345 /nfs/dbraw/zinc/63/93/45/568639345.db2.gz OAONFAHSVPEPIX-UHFFFAOYSA-N 1 2 402.477 3.898 50 0 HHAALO CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225541904 568649278 /nfs/dbraw/zinc/64/92/78/568649278.db2.gz RWWFKODTMPIGMD-UHFFFAOYSA-N 1 2 402.560 3.715 50 0 HHAALO CC(C)NC(=O)Nc1cccc(C(=O)N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]2C)c1 ZINC000225610355 568656768 /nfs/dbraw/zinc/65/67/68/568656768.db2.gz RTERGCHLUIHUQF-QGZVFWFLSA-N 1 2 412.509 3.702 50 0 HHAALO CC(C)NC(=O)Nc1cccc(C(=O)N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]2C)c1 ZINC000225610355 568656770 /nfs/dbraw/zinc/65/67/70/568656770.db2.gz RTERGCHLUIHUQF-QGZVFWFLSA-N 1 2 412.509 3.702 50 0 HHAALO O=c1[nH]c(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2cc(Cl)ccc21 ZINC000095950333 568667589 /nfs/dbraw/zinc/66/75/89/568667589.db2.gz ZSKOPTQZLCWWDH-UHFFFAOYSA-N 1 2 403.313 3.960 50 0 HHAALO COCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021158971 568674127 /nfs/dbraw/zinc/67/41/27/568674127.db2.gz QFIGRAWGNTUXFI-UHFFFAOYSA-N 1 2 424.520 3.593 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000229633066 568714992 /nfs/dbraw/zinc/71/49/92/568714992.db2.gz PSKMPSSVWDXAFA-HNAYVOBHSA-N 1 2 415.515 3.658 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000229633066 568714993 /nfs/dbraw/zinc/71/49/93/568714993.db2.gz PSKMPSSVWDXAFA-HNAYVOBHSA-N 1 2 415.515 3.658 50 0 HHAALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000096316771 568725691 /nfs/dbraw/zinc/72/56/91/568725691.db2.gz DWBVPEAXUHVNSU-UHFFFAOYSA-N 1 2 411.525 3.632 50 0 HHAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)nc1 ZINC000096319184 568727498 /nfs/dbraw/zinc/72/74/98/568727498.db2.gz FNYCWIWVWMGQFG-UHFFFAOYSA-N 1 2 405.449 3.941 50 0 HHAALO C[C@@H](NCc1c[nH+]c2ccc(Br)cn12)c1noc(Cc2ccccc2)n1 ZINC000242140880 568732346 /nfs/dbraw/zinc/73/23/46/568732346.db2.gz WQBYQDNFELPZCU-CYBMUJFWSA-N 1 2 412.291 3.921 50 0 HHAALO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724564 568751243 /nfs/dbraw/zinc/75/12/43/568751243.db2.gz ZAGPKBTUZOFPOU-GOSISDBHSA-N 1 2 406.486 3.904 50 0 HHAALO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724564 568751245 /nfs/dbraw/zinc/75/12/45/568751245.db2.gz ZAGPKBTUZOFPOU-GOSISDBHSA-N 1 2 406.486 3.904 50 0 HHAALO Cc1nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794478 568753478 /nfs/dbraw/zinc/75/34/78/568753478.db2.gz RXXLCAAOVCPBGC-UHFFFAOYSA-N 1 2 407.449 3.757 50 0 HHAALO CCn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2c1c1ccccc1oc2=O ZINC000021882877 568757828 /nfs/dbraw/zinc/75/78/28/568757828.db2.gz OVFLFTXGZVPHIL-UHFFFAOYSA-N 1 2 415.493 3.726 50 0 HHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460513 568768546 /nfs/dbraw/zinc/76/85/46/568768546.db2.gz GKAZMXGMTVNCOJ-DNVCBOLYSA-N 1 2 406.596 3.941 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1F ZINC000056896255 568820869 /nfs/dbraw/zinc/82/08/69/568820869.db2.gz QEEIWCLZBWGTBI-HSZRJFAPSA-N 1 2 422.479 3.653 50 0 HHAALO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056945395 568821452 /nfs/dbraw/zinc/82/14/52/568821452.db2.gz ITVMZTFEFDIHNY-QFIPXVFZSA-N 1 2 423.488 3.721 50 0 HHAALO COc1ccccc1N1CC[NH+](CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000056997322 568822380 /nfs/dbraw/zinc/82/23/80/568822380.db2.gz MDFOSYMDLGOLOP-UHFFFAOYSA-N 1 2 408.329 3.554 50 0 HHAALO O=S(=O)(c1cccs1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000057399148 568831587 /nfs/dbraw/zinc/83/15/87/568831587.db2.gz QZCCPSQWFRGIIK-UHFFFAOYSA-N 1 2 404.479 3.664 50 0 HHAALO O=S(=O)(c1cccs1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000057399148 568831588 /nfs/dbraw/zinc/83/15/88/568831588.db2.gz QZCCPSQWFRGIIK-UHFFFAOYSA-N 1 2 404.479 3.664 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000012506674 568839442 /nfs/dbraw/zinc/83/94/42/568839442.db2.gz HBQJVBURNOCZDE-GOSISDBHSA-N 1 2 416.934 3.551 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478403 568839787 /nfs/dbraw/zinc/83/97/87/568839787.db2.gz QQPDXCMNKSVIEC-QFIPXVFZSA-N 1 2 407.514 3.552 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478403 568839788 /nfs/dbraw/zinc/83/97/88/568839788.db2.gz QQPDXCMNKSVIEC-QFIPXVFZSA-N 1 2 407.514 3.552 50 0 HHAALO CCc1noc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)n1 ZINC000012523335 568842307 /nfs/dbraw/zinc/84/23/07/568842307.db2.gz WJBGJKBYGYPQEK-UHFFFAOYSA-N 1 2 402.499 3.630 50 0 HHAALO COc1ccc(CCn2nnnc2[C@@H](c2ccc(C(C)C)cc2)[NH+](C)C)cc1OC ZINC000057740050 568859396 /nfs/dbraw/zinc/85/93/96/568859396.db2.gz NLKAFDFQRIVOPN-JOCHJYFZSA-N 1 2 409.534 3.707 50 0 HHAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)C2=O ZINC000012682677 568907741 /nfs/dbraw/zinc/90/77/41/568907741.db2.gz NAMHZQKSDYBGKG-MCFFVMPBSA-N 1 2 412.559 3.934 50 0 HHAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)C2=O ZINC000012682677 568907743 /nfs/dbraw/zinc/90/77/43/568907743.db2.gz NAMHZQKSDYBGKG-MCFFVMPBSA-N 1 2 412.559 3.934 50 0 HHAALO CC[N@H+](CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1 ZINC000004056743 568936576 /nfs/dbraw/zinc/93/65/76/568936576.db2.gz WEBKIHMYSVETIK-QHCPKHFHSA-N 1 2 407.558 3.827 50 0 HHAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1 ZINC000004056743 568936578 /nfs/dbraw/zinc/93/65/78/568936578.db2.gz WEBKIHMYSVETIK-QHCPKHFHSA-N 1 2 407.558 3.827 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000006445956 568936654 /nfs/dbraw/zinc/93/66/54/568936654.db2.gz GIVOPYHHSKYZIU-UKRRQHHQSA-N 1 2 424.452 3.622 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012751502 568940918 /nfs/dbraw/zinc/94/09/18/568940918.db2.gz REABGHUSJNOOPL-HXUWFJFHSA-N 1 2 420.513 3.608 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccnn1C1CCCC1 ZINC000008073840 568972002 /nfs/dbraw/zinc/97/20/02/568972002.db2.gz BLYRLLPSLDNBTP-UHFFFAOYSA-N 1 2 419.514 3.858 50 0 HHAALO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1OC ZINC000008130208 568975207 /nfs/dbraw/zinc/97/52/07/568975207.db2.gz KQJDFCZLBFVPOW-UHFFFAOYSA-N 1 2 401.488 3.581 50 0 HHAALO COc1ccc(S(=O)(=O)N2CCC(Cn3c(C)[nH+]c4ccccc43)CC2)cc1C ZINC000038535313 568998193 /nfs/dbraw/zinc/99/81/93/568998193.db2.gz PWTXVQWZAUXCHB-UHFFFAOYSA-N 1 2 413.543 3.763 50 0 HHAALO O=C(NCC[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1)Nc1ccccc1 ZINC000020472465 569008096 /nfs/dbraw/zinc/00/80/96/569008096.db2.gz HYJUSGODYYHMKV-UHFFFAOYSA-N 1 2 406.452 3.645 50 0 HHAALO O=C(NCCN1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)Nc1ccccc1 ZINC000020472465 569008097 /nfs/dbraw/zinc/00/80/97/569008097.db2.gz HYJUSGODYYHMKV-UHFFFAOYSA-N 1 2 406.452 3.645 50 0 HHAALO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@@H+]3CCC[C@@H](C)C3)c(=S)o2)c1 ZINC000006208989 569033064 /nfs/dbraw/zinc/03/30/64/569033064.db2.gz PIMFLGKOLUGVKH-OAHLLOKOSA-N 1 2 424.592 3.592 50 0 HHAALO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@H+]3CCC[C@@H](C)C3)c(=S)o2)c1 ZINC000006208989 569033065 /nfs/dbraw/zinc/03/30/65/569033065.db2.gz PIMFLGKOLUGVKH-OAHLLOKOSA-N 1 2 424.592 3.592 50 0 HHAALO COc1cccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)c1 ZINC000035403707 569035522 /nfs/dbraw/zinc/03/55/22/569035522.db2.gz RGGJTQSTXROZQR-UHFFFAOYSA-N 1 2 402.498 3.917 50 0 HHAALO COc1cccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)c1 ZINC000035403707 569035523 /nfs/dbraw/zinc/03/55/23/569035523.db2.gz RGGJTQSTXROZQR-UHFFFAOYSA-N 1 2 402.498 3.917 50 0 HHAALO CCOc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404061 569035661 /nfs/dbraw/zinc/03/56/61/569035661.db2.gz BVIHUDKCBUGEFK-UHFFFAOYSA-N 1 2 402.498 3.999 50 0 HHAALO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404061 569035662 /nfs/dbraw/zinc/03/56/62/569035662.db2.gz BVIHUDKCBUGEFK-UHFFFAOYSA-N 1 2 402.498 3.999 50 0 HHAALO COc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c(OC)c1 ZINC000035403959 569035705 /nfs/dbraw/zinc/03/57/05/569035705.db2.gz SBXNUZKGZCZTAU-UHFFFAOYSA-N 1 2 418.497 3.617 50 0 HHAALO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c(OC)c1 ZINC000035403959 569035706 /nfs/dbraw/zinc/03/57/06/569035706.db2.gz SBXNUZKGZCZTAU-UHFFFAOYSA-N 1 2 418.497 3.617 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000018120721 569047223 /nfs/dbraw/zinc/04/72/23/569047223.db2.gz RRVQBSIBMVQEEV-IFMALSPDSA-N 1 2 415.424 3.617 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000013003836 569049342 /nfs/dbraw/zinc/04/93/42/569049342.db2.gz LUQGGYWFKVIELT-GOSISDBHSA-N 1 2 410.518 3.527 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000013003836 569049343 /nfs/dbraw/zinc/04/93/43/569049343.db2.gz LUQGGYWFKVIELT-GOSISDBHSA-N 1 2 410.518 3.527 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000013013093 569050648 /nfs/dbraw/zinc/05/06/48/569050648.db2.gz KUJWIIDJLVSNAP-FQEVSTJZSA-N 1 2 424.932 3.744 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000248377952 569057680 /nfs/dbraw/zinc/05/76/80/569057680.db2.gz IDFNNJUZUWUVHU-YCAMKHIRSA-N 1 2 408.457 3.944 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248377952 569057681 /nfs/dbraw/zinc/05/76/81/569057681.db2.gz IDFNNJUZUWUVHU-YCAMKHIRSA-N 1 2 408.457 3.944 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4c[nH]nc4C)csc3C2)nc1 ZINC000426420004 569072889 /nfs/dbraw/zinc/07/28/89/569072889.db2.gz MGTWWNVSKUYXMD-UHFFFAOYSA-N 1 2 409.559 3.568 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4c[nH]nc4C)csc3C2)nc1 ZINC000426420004 569072890 /nfs/dbraw/zinc/07/28/90/569072890.db2.gz MGTWWNVSKUYXMD-UHFFFAOYSA-N 1 2 409.559 3.568 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC[C@@H]3CCCCO3)csc2C1 ZINC000426547592 569073341 /nfs/dbraw/zinc/07/33/41/569073341.db2.gz ICDWMGBOMDJJQA-INIZCTEOSA-N 1 2 403.548 3.600 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC[C@@H]3CCCCO3)csc2C1 ZINC000426547592 569073342 /nfs/dbraw/zinc/07/33/42/569073342.db2.gz ICDWMGBOMDJJQA-INIZCTEOSA-N 1 2 403.548 3.600 50 0 HHAALO CCc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)cc1 ZINC000035982423 569073347 /nfs/dbraw/zinc/07/33/47/569073347.db2.gz RLDOGCQWNKXLQD-YLJYHZDGSA-N 1 2 402.498 3.665 50 0 HHAALO CCCN(C)c1cc(CC)[nH+]c(SCc2ccc(C(=O)NCCOC)cc2)n1 ZINC000006801835 569129501 /nfs/dbraw/zinc/12/95/01/569129501.db2.gz DLQHQPNCIUVGIQ-UHFFFAOYSA-N 1 2 402.564 3.554 50 0 HHAALO O=C(Nc1cccc(F)c1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036311889 569132613 /nfs/dbraw/zinc/13/26/13/569132613.db2.gz QIWTYIZHJKKIFD-NRFANRHFSA-N 1 2 401.526 3.657 50 0 HHAALO O=C(Nc1cccc(Cl)c1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036311586 569133258 /nfs/dbraw/zinc/13/32/58/569133258.db2.gz YNZVJUMWQYVILB-FQEVSTJZSA-N 1 2 403.954 3.782 50 0 HHAALO CSc1ccc(CNC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1 ZINC000065034865 569158135 /nfs/dbraw/zinc/15/81/35/569158135.db2.gz JMRBJZPNCDDXHE-UHFFFAOYSA-N 1 2 421.566 3.541 50 0 HHAALO CSc1ccc(CNC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1 ZINC000065034865 569158136 /nfs/dbraw/zinc/15/81/36/569158136.db2.gz JMRBJZPNCDDXHE-UHFFFAOYSA-N 1 2 421.566 3.541 50 0 HHAALO CSc1ccc(CNC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1 ZINC000065034951 569158431 /nfs/dbraw/zinc/15/84/31/569158431.db2.gz XUVZWZKAWJQFPL-UHFFFAOYSA-N 1 2 421.566 3.541 50 0 HHAALO CSc1ccc(CNC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1 ZINC000065034951 569158432 /nfs/dbraw/zinc/15/84/32/569158432.db2.gz XUVZWZKAWJQFPL-UHFFFAOYSA-N 1 2 421.566 3.541 50 0 HHAALO Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000065211123 569196331 /nfs/dbraw/zinc/19/63/31/569196331.db2.gz UPZPYCOOBHTEKU-UHFFFAOYSA-N 1 2 407.445 3.704 50 0 HHAALO Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000065211123 569196332 /nfs/dbraw/zinc/19/63/32/569196332.db2.gz UPZPYCOOBHTEKU-UHFFFAOYSA-N 1 2 407.445 3.704 50 0 HHAALO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000007015743 569200982 /nfs/dbraw/zinc/20/09/82/569200982.db2.gz GSYVNLZIJSTCOI-UHFFFAOYSA-N 1 2 419.312 3.770 50 0 HHAALO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000007015743 569200983 /nfs/dbraw/zinc/20/09/83/569200983.db2.gz GSYVNLZIJSTCOI-UHFFFAOYSA-N 1 2 419.312 3.770 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)nc[nH+]1 ZINC000065245012 569204838 /nfs/dbraw/zinc/20/48/38/569204838.db2.gz SAKGVYSBLPEFQS-QGZVFWFLSA-N 1 2 401.942 3.875 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)[nH+]cn1 ZINC000065245012 569204839 /nfs/dbraw/zinc/20/48/39/569204839.db2.gz SAKGVYSBLPEFQS-QGZVFWFLSA-N 1 2 401.942 3.875 50 0 HHAALO COc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245339 569205193 /nfs/dbraw/zinc/20/51/93/569205193.db2.gz IIVZVCJVXLGPIA-MSOLQXFVSA-N 1 2 423.561 3.934 50 0 HHAALO COc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000065245339 569205194 /nfs/dbraw/zinc/20/51/94/569205194.db2.gz IIVZVCJVXLGPIA-MSOLQXFVSA-N 1 2 423.561 3.934 50 0 HHAALO COc1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cc1F ZINC000065265962 569213069 /nfs/dbraw/zinc/21/30/69/569213069.db2.gz VAODFTDLIPJWBF-DEOSSOPVSA-N 1 2 424.520 3.641 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)c(OC)c3)CC2)nc[nH+]1 ZINC000065274283 569215024 /nfs/dbraw/zinc/21/50/24/569215024.db2.gz IHQZUTVKZKXHSP-UHFFFAOYSA-N 1 2 413.522 3.561 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)c(OC)c3)CC2)[nH+]cn1 ZINC000065274283 569215025 /nfs/dbraw/zinc/21/50/25/569215025.db2.gz IHQZUTVKZKXHSP-UHFFFAOYSA-N 1 2 413.522 3.561 50 0 HHAALO Cc1ccc([C@H](C)NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCCC2)cc1C ZINC000065295328 569218730 /nfs/dbraw/zinc/21/87/30/569218730.db2.gz DXEUJXPJKRLTCG-SFHVURJKSA-N 1 2 406.534 3.701 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000007487684 569240990 /nfs/dbraw/zinc/24/09/90/569240990.db2.gz WKDVMJLAESJMAE-LBPRGKRZSA-N 1 2 402.292 3.887 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000007487684 569240991 /nfs/dbraw/zinc/24/09/91/569240991.db2.gz WKDVMJLAESJMAE-LBPRGKRZSA-N 1 2 402.292 3.887 50 0 HHAALO Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000170597324 569242142 /nfs/dbraw/zinc/24/21/42/569242142.db2.gz XEXYYAWUMUIOPN-UHFFFAOYSA-N 1 2 420.439 3.898 50 0 HHAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)c1ccc(OC(F)(F)F)cc1 ZINC000253401229 569365639 /nfs/dbraw/zinc/36/56/39/569365639.db2.gz MQKFNFSBIJIALR-MRXNPFEDSA-N 1 2 400.422 3.698 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1C ZINC000002365740 569388075 /nfs/dbraw/zinc/38/80/75/569388075.db2.gz VTVLBNSYWMZJER-UHFFFAOYSA-N 1 2 402.477 3.898 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1cccc(Cl)c1 ZINC000013038814 569407758 /nfs/dbraw/zinc/40/77/58/569407758.db2.gz OOQYEDHKJVSWQB-UHFFFAOYSA-N 1 2 411.855 3.797 50 0 HHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)C(=O)NCCc1ccccc1 ZINC000013296298 569410541 /nfs/dbraw/zinc/41/05/41/569410541.db2.gz ANCPJFFCCCGBCD-OAHLLOKOSA-N 1 2 421.501 3.794 50 0 HHAALO O=c1c(Cl)c(N2CCCC[C@H]2c2[nH]cc[nH+]2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000079017498 569424022 /nfs/dbraw/zinc/42/40/22/569424022.db2.gz ZSEWQLDIRRKWGE-LBPRGKRZSA-N 1 2 424.814 3.754 50 0 HHAALO CCC(=O)N1CCC[C@H](C(=O)OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000079024086 569424620 /nfs/dbraw/zinc/42/46/20/569424620.db2.gz PIMXTVOGZUUCPU-NRFANRHFSA-N 1 2 406.526 3.652 50 0 HHAALO Cc1[nH]c(=S)sc1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000040034346 571141384 /nfs/dbraw/zinc/14/13/84/571141384.db2.gz KUBLUTFFKBKRGV-UHFFFAOYSA-N 1 2 416.597 3.936 50 0 HHAALO Cc1[nH]c(=S)sc1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000040034346 571141385 /nfs/dbraw/zinc/14/13/85/571141385.db2.gz KUBLUTFFKBKRGV-UHFFFAOYSA-N 1 2 416.597 3.936 50 0 HHAALO CCCCn1c(C[N@H+](Cc2cccs2)C2CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000040063288 571147989 /nfs/dbraw/zinc/14/79/89/571147989.db2.gz YIUHTPINHDKWCY-UHFFFAOYSA-N 1 2 418.588 3.710 50 0 HHAALO CCCCn1c(C[N@@H+](Cc2cccs2)C2CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000040063288 571147991 /nfs/dbraw/zinc/14/79/91/571147991.db2.gz YIUHTPINHDKWCY-UHFFFAOYSA-N 1 2 418.588 3.710 50 0 HHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 ZINC000008939646 571166462 /nfs/dbraw/zinc/16/64/62/571166462.db2.gz DHQJJJVQAHIZPV-HXUWFJFHSA-N 1 2 418.497 3.728 50 0 HHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 ZINC000008939646 571166464 /nfs/dbraw/zinc/16/64/64/571166464.db2.gz DHQJJJVQAHIZPV-HXUWFJFHSA-N 1 2 418.497 3.728 50 0 HHAALO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1Cl ZINC000008984568 571205627 /nfs/dbraw/zinc/20/56/27/571205627.db2.gz VLYROOHMQWZAIS-FQEVSTJZSA-N 1 2 423.966 3.660 50 0 HHAALO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1c[nH+]c[nH]1)oc1c3CCCC1 ZINC000009059770 571217182 /nfs/dbraw/zinc/21/71/82/571217182.db2.gz YEWOOVXJYLVLKL-UHFFFAOYSA-N 1 2 419.481 3.741 50 0 HHAALO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCc1c[nH]c[nH+]1)oc1c3CCCC1 ZINC000009059770 571217183 /nfs/dbraw/zinc/21/71/83/571217183.db2.gz YEWOOVXJYLVLKL-UHFFFAOYSA-N 1 2 419.481 3.741 50 0 HHAALO COC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)sc2c1CCCC2 ZINC000009112313 571223373 /nfs/dbraw/zinc/22/33/73/571223373.db2.gz YQFWEQKMJVPBMK-INIZCTEOSA-N 1 2 401.532 3.528 50 0 HHAALO COC(=O)c1c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)sc2c1CCCC2 ZINC000009112313 571223376 /nfs/dbraw/zinc/22/33/76/571223376.db2.gz YQFWEQKMJVPBMK-INIZCTEOSA-N 1 2 401.532 3.528 50 0 HHAALO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000009118072 571224591 /nfs/dbraw/zinc/22/45/91/571224591.db2.gz RKGGDZHMYXGBRX-UHFFFAOYSA-N 1 2 418.500 3.596 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000069459934 571228247 /nfs/dbraw/zinc/22/82/47/571228247.db2.gz QYVCJISISFSLAO-QGZVFWFLSA-N 1 2 405.930 3.610 50 0 HHAALO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2noc(-c3cccs3)n2)CC1 ZINC000069508724 571228650 /nfs/dbraw/zinc/22/86/50/571228650.db2.gz NIEOLZGWYRLWFS-UHFFFAOYSA-N 1 2 414.506 3.508 50 0 HHAALO O=C(c1cc2cc(Br)ccc2o1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000009305235 571246474 /nfs/dbraw/zinc/24/64/74/571246474.db2.gz XRSJDJUKMHCKNO-UHFFFAOYSA-N 1 2 414.303 3.591 50 0 HHAALO CC(C)Cc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)NC(C)C)CC2)n1 ZINC000069843075 571246587 /nfs/dbraw/zinc/24/65/87/571246587.db2.gz YUCLSIXZNBFGCT-IBGZPJMESA-N 1 2 405.587 3.843 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009331404 571248899 /nfs/dbraw/zinc/24/88/99/571248899.db2.gz GCIIWUBBVMUQAL-XRXFAXGQSA-N 1 2 406.869 3.753 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009331404 571248901 /nfs/dbraw/zinc/24/89/01/571248901.db2.gz GCIIWUBBVMUQAL-XRXFAXGQSA-N 1 2 406.869 3.753 50 0 HHAALO Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(C)n2n1 ZINC000009646048 571276476 /nfs/dbraw/zinc/27/64/76/571276476.db2.gz WBOVXBFPMPTUMM-MRXNPFEDSA-N 1 2 402.502 3.650 50 0 HHAALO CCCC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)Cc2ccccc2O1 ZINC000012098372 962238689 /nfs/dbraw/zinc/23/86/89/962238689.db2.gz LUJCHIFEAZCCPV-HXUWFJFHSA-N 1 2 412.530 3.773 50 0 HHAALO CCCC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)Cc2ccccc2O1 ZINC000012098372 962238710 /nfs/dbraw/zinc/23/87/10/962238710.db2.gz LUJCHIFEAZCCPV-HXUWFJFHSA-N 1 2 412.530 3.773 50 0 HHAALO CC(=O)N1CCCN(c2nc(C[N@@H+](C)[C@@H](C)c3cccs3)nc3ccccc32)CC1 ZINC000014987570 962618979 /nfs/dbraw/zinc/61/89/79/962618979.db2.gz SYHJJSZMGAIFOV-KRWDZBQOSA-N 1 2 423.586 3.943 50 0 HHAALO CC(=O)N1CCCN(c2nc(C[N@H+](C)[C@@H](C)c3cccs3)nc3ccccc32)CC1 ZINC000014987570 962618986 /nfs/dbraw/zinc/61/89/86/962618986.db2.gz SYHJJSZMGAIFOV-KRWDZBQOSA-N 1 2 423.586 3.943 50 0 HHAALO O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023730920 963881067 /nfs/dbraw/zinc/88/10/67/963881067.db2.gz UFDHVYBQIBYRNX-URFQIUESSA-N 1 2 404.510 3.719 50 0 HHAALO O=C(COCc1nc2ccccc2s1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023845801 963895237 /nfs/dbraw/zinc/89/52/37/963895237.db2.gz WOUMPCGGMIGGHE-RMKNXTFCSA-N 1 2 407.539 3.671 50 0 HHAALO O=c1c2ccccc2nc(SC/C=C\c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000033476376 966408640 /nfs/dbraw/zinc/40/86/40/966408640.db2.gz LDLNHOWLMHDSJI-POHAHGRESA-N 1 2 421.566 3.924 50 0 HHAALO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096891743 969054605 /nfs/dbraw/zinc/05/46/05/969054605.db2.gz WHJWMHCLANQJMT-YWEYNIOJSA-N 1 2 423.944 3.938 50 0 HHAALO CN(Cc1nc2ccccc2s1)C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096905314 969055141 /nfs/dbraw/zinc/05/51/41/969055141.db2.gz URLAPVPEFRHCJK-YFHOEESVSA-N 1 2 420.582 3.586 50 0 HHAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)N(Cc1ccccc1F)C1CC1 ZINC000096905306 969055474 /nfs/dbraw/zinc/05/54/74/969055474.db2.gz AJCGEVUVIZPDOD-TWGQIWQCSA-N 1 2 407.533 3.648 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H]1Cc3ccccc3C[N@H+]1C)O2 ZINC000299769926 970722440 /nfs/dbraw/zinc/72/24/40/970722440.db2.gz YIVDNKAQTBALAB-PKTZIBPZSA-N 1 2 413.521 3.533 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@@H]1Cc3ccccc3C[N@@H+]1C)O2 ZINC000299769926 970722448 /nfs/dbraw/zinc/72/24/48/970722448.db2.gz YIVDNKAQTBALAB-PKTZIBPZSA-N 1 2 413.521 3.533 50 0 HHAALO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccccc1OC)C2 ZINC000299793860 970723742 /nfs/dbraw/zinc/72/37/42/970723742.db2.gz KLAUQPQMTSBYEQ-LAUBAEHRSA-N 1 2 410.514 3.650 50 0 HHAALO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CC(=O)N1CCC[C@@H]1c1ccccc1OC)C2 ZINC000299793860 970723746 /nfs/dbraw/zinc/72/37/46/970723746.db2.gz KLAUQPQMTSBYEQ-LAUBAEHRSA-N 1 2 410.514 3.650 50 0 HHAALO COc1ccc(OC)c2[nH]c(C(=O)N3CC(F)(F)C[C@H]3COc3cc[nH+]cc3)cc21 ZINC000409420519 972890495 /nfs/dbraw/zinc/89/04/95/972890495.db2.gz LRFINRNQOITZLM-ZDUSSCGKSA-N 1 2 417.412 3.509 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000001144614 132238933 /nfs/dbraw/zinc/23/89/33/132238933.db2.gz PYNAQPHABVNSSS-UHFFFAOYSA-N 1 2 402.477 3.898 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000002369072 132253476 /nfs/dbraw/zinc/25/34/76/132253476.db2.gz KIBNCDLZSZROFS-UHFFFAOYSA-N 1 2 420.904 3.804 50 0 HHAALO Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)sc3c2c1 ZINC000004939341 132296571 /nfs/dbraw/zinc/29/65/71/132296571.db2.gz QQOFDVXPCCSCQF-UHFFFAOYSA-N 1 2 405.479 3.674 50 0 HHAALO O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000005060109 132299874 /nfs/dbraw/zinc/29/98/74/132299874.db2.gz GAXFRDJCIUIVPY-UHFFFAOYSA-N 1 2 400.693 3.769 50 0 HHAALO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000006679382 132313029 /nfs/dbraw/zinc/31/30/29/132313029.db2.gz WFEOFCGAGGZJAP-QHCPKHFHSA-N 1 2 402.498 3.592 50 0 HHAALO CC(C)(C)C(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000009265488 132337947 /nfs/dbraw/zinc/33/79/47/132337947.db2.gz JVSMJXOBSFXCRT-UHFFFAOYSA-N 1 2 406.486 3.775 50 0 HHAALO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 ZINC000012545417 132362848 /nfs/dbraw/zinc/36/28/48/132362848.db2.gz XZOWMBFNNIDSDX-KRWDZBQOSA-N 1 2 407.436 3.863 50 0 HHAALO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccccc21 ZINC000012545417 132362849 /nfs/dbraw/zinc/36/28/49/132362849.db2.gz XZOWMBFNNIDSDX-KRWDZBQOSA-N 1 2 407.436 3.863 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012784081 132367187 /nfs/dbraw/zinc/36/71/87/132367187.db2.gz HDEJTGSDSQLZOM-MRXNPFEDSA-N 1 2 401.942 3.711 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3ccccc3F)n2)C1 ZINC000032819325 521299995 /nfs/dbraw/zinc/29/99/95/521299995.db2.gz NQPGGNQNWMGSAL-HNNXBMFYSA-N 1 2 405.495 3.742 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccccc3F)n2)C1 ZINC000032819325 521300002 /nfs/dbraw/zinc/30/00/02/521300002.db2.gz NQPGGNQNWMGSAL-HNNXBMFYSA-N 1 2 405.495 3.742 50 0 HHAALO CC[C@@H](C(=O)N1CC[NH+](CCNC(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1 ZINC000020573405 521817564 /nfs/dbraw/zinc/81/75/64/521817564.db2.gz NPONYVDKEWLJFI-BJKOFHAPSA-N 1 2 421.585 3.634 50 0 HHAALO COc1cc(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)ccc1OC(F)F ZINC000029631986 522386406 /nfs/dbraw/zinc/38/64/06/522386406.db2.gz QHBSPOWZHBBIBD-UHFFFAOYSA-N 1 2 406.477 3.841 50 0 HHAALO CCn1cc(C(=O)N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c2ccccc21 ZINC000032787294 523330751 /nfs/dbraw/zinc/33/07/51/523330751.db2.gz VEXZTODGZMTABM-UHFFFAOYSA-N 1 2 407.514 3.636 50 0 HHAALO Cc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888419 525409020 /nfs/dbraw/zinc/40/90/20/525409020.db2.gz UESIBKIMARLWJU-SFHVURJKSA-N 1 2 422.525 3.538 50 0 HHAALO COc1ccc2cc(C(=O)NC3CCN(c4nc(C)[nH+]c5c4CCCC5)CC3)[nH]c2c1 ZINC000225738862 525623356 /nfs/dbraw/zinc/62/33/56/525623356.db2.gz LCGYISONDDFSSS-UHFFFAOYSA-N 1 2 419.529 3.553 50 0 HHAALO Cc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000032768514 525843512 /nfs/dbraw/zinc/84/35/12/525843512.db2.gz QXIWKHXCRIGDDO-UHFFFAOYSA-N 1 2 424.932 3.975 50 0 HHAALO O=C(CCNC(=O)c1ccsc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894425 526508697 /nfs/dbraw/zinc/50/86/97/526508697.db2.gz VKLCRXQIRCYOQP-QGZVFWFLSA-N 1 2 423.941 3.614 50 0 HHAALO O=C([C@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC1 ZINC000023805739 526523136 /nfs/dbraw/zinc/52/31/36/526523136.db2.gz PBEIUIIWUMXWHD-FQEVSTJZSA-N 1 2 418.463 3.586 50 0 HHAALO O=C(c1ccc2c3c(cccc31)CC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032847773 526730599 /nfs/dbraw/zinc/73/05/99/526730599.db2.gz IWZJSDKCDQYEBJ-UHFFFAOYSA-N 1 2 400.478 3.625 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCCc2ccccc21 ZINC000000882860 527073441 /nfs/dbraw/zinc/07/34/41/527073441.db2.gz RFQJNONXHXAHHD-UHFFFAOYSA-N 1 2 401.495 3.887 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000032809223 527463146 /nfs/dbraw/zinc/46/31/46/527463146.db2.gz FDCDSQJQOIMIAF-HXUWFJFHSA-N 1 2 420.904 3.848 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000031890330 527508780 /nfs/dbraw/zinc/50/87/80/527508780.db2.gz LLRDRIKIZHLRAJ-AWEZNQCLSA-N 1 2 418.950 3.774 50 0 HHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000036385674 527528304 /nfs/dbraw/zinc/52/83/04/527528304.db2.gz XZVKUQKLYWSWFI-XMMPIXPASA-N 1 2 422.548 3.697 50 0 HHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000036385674 527528308 /nfs/dbraw/zinc/52/83/08/527528308.db2.gz XZVKUQKLYWSWFI-XMMPIXPASA-N 1 2 422.548 3.697 50 0 HHAALO CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000004845711 557605691 /nfs/dbraw/zinc/60/56/91/557605691.db2.gz OJYXUZGMWZBEBE-RAOBZKRQSA-N 1 2 413.499 3.531 50 0 HHAALO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022766786 557814956 /nfs/dbraw/zinc/81/49/56/557814956.db2.gz PHOCDTSFIGVALC-OAQYLSRUSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022766786 557814958 /nfs/dbraw/zinc/81/49/58/557814958.db2.gz PHOCDTSFIGVALC-OAQYLSRUSA-N 1 2 423.513 3.742 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCN(c3ccccc3)CC1)S2 ZINC000022854489 557842094 /nfs/dbraw/zinc/84/20/94/557842094.db2.gz IONXQRPKLCTULL-FQEVSTJZSA-N 1 2 419.554 3.970 50 0 HHAALO COc1ccccc1-c1nc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cs1 ZINC000022921953 558263908 /nfs/dbraw/zinc/26/39/08/558263908.db2.gz UHGWAXMOGXIEGK-UHFFFAOYSA-N 1 2 423.538 3.865 50 0 HHAALO CC(=O)c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000019761015 558276330 /nfs/dbraw/zinc/27/63/30/558276330.db2.gz ZYKLLJCRICFUPB-IBGZPJMESA-N 1 2 401.551 3.876 50 0 HHAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1OC ZINC000019790235 558282267 /nfs/dbraw/zinc/28/22/67/558282267.db2.gz ZJFFTSJXPAGQKP-UHFFFAOYSA-N 1 2 408.420 3.681 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1 ZINC000019832135 558291924 /nfs/dbraw/zinc/29/19/24/558291924.db2.gz UWGWOIWDQKYYMG-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019841104 558294420 /nfs/dbraw/zinc/29/44/20/558294420.db2.gz JWHDRLSMWPMYEX-UHFFFAOYSA-N 1 2 423.460 3.949 50 0 HHAALO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+]CCc1c3cc(Cl)ccc3[nH]c12 ZINC000019899737 558304806 /nfs/dbraw/zinc/30/48/06/558304806.db2.gz XSOBSQCNNGDVAV-SFHVURJKSA-N 1 2 402.679 3.925 50 0 biogenic HHAALO O=S(=O)(C[C@@H](CN1CCCCC1)[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000020060023 558329192 /nfs/dbraw/zinc/32/91/92/558329192.db2.gz GJUQNXFCNZTWKL-JOCHJYFZSA-N 1 2 400.588 3.954 50 0 HHAALO CCOc1cccc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)oc21 ZINC000020189961 558344399 /nfs/dbraw/zinc/34/43/99/558344399.db2.gz ZBCITZYSHURFLJ-JXMROGBWSA-N 1 2 418.493 3.663 50 0 HHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000020201317 558345681 /nfs/dbraw/zinc/34/56/81/558345681.db2.gz OQBRJFNYACXYOK-OAQYLSRUSA-N 1 2 401.551 3.876 50 0 HHAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cs1 ZINC000020201317 558345683 /nfs/dbraw/zinc/34/56/83/558345683.db2.gz OQBRJFNYACXYOK-OAQYLSRUSA-N 1 2 401.551 3.876 50 0 HHAALO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)C[N@@H+](C)Cc2cccnc2)c1 ZINC000012195086 558349107 /nfs/dbraw/zinc/34/91/07/558349107.db2.gz JXTZUGFISLBNAH-QFIPXVFZSA-N 1 2 403.530 3.510 50 0 HHAALO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)C[N@H+](C)Cc2cccnc2)c1 ZINC000012195086 558349111 /nfs/dbraw/zinc/34/91/11/558349111.db2.gz JXTZUGFISLBNAH-QFIPXVFZSA-N 1 2 403.530 3.510 50 0 HHAALO Cn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012315761 558379162 /nfs/dbraw/zinc/37/91/62/558379162.db2.gz HBJPENHMLHBIAF-LJQANCHMSA-N 1 2 417.469 3.903 50 0 HHAALO Cn1cc[nH+]c1[C@@H](Nc1cnn(Cc2ccccc2)c(=O)c1Cl)c1ccccc1 ZINC000012627447 558440311 /nfs/dbraw/zinc/44/03/11/558440311.db2.gz HQGYQNOAICBMBV-FQEVSTJZSA-N 1 2 405.889 3.880 50 0 HHAALO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)[nH]c2c1C(=O)CCC2 ZINC000021964968 558456723 /nfs/dbraw/zinc/45/67/23/558456723.db2.gz FTIJPWKRPSGLSD-UHFFFAOYSA-N 1 2 419.447 3.819 50 0 HHAALO Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+]4CCC[C@@H]4C(=O)N(C)C)cc3)sc2c1 ZINC000022013989 558457900 /nfs/dbraw/zinc/45/79/00/558457900.db2.gz YRBOPXKYUXOPFE-LJQANCHMSA-N 1 2 422.554 3.763 50 0 HHAALO Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+]4CCC[C@@H]4C(=O)N(C)C)cc3)sc2c1 ZINC000022013989 558457902 /nfs/dbraw/zinc/45/79/02/558457902.db2.gz YRBOPXKYUXOPFE-LJQANCHMSA-N 1 2 422.554 3.763 50 0 HHAALO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022137097 558464477 /nfs/dbraw/zinc/46/44/77/558464477.db2.gz RQVAESVDZZPUJL-QFIPXVFZSA-N 1 2 420.582 3.757 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+](C)CCOc3ccc(Cl)cc3)n2)cc1 ZINC000022189567 558465679 /nfs/dbraw/zinc/46/56/79/558465679.db2.gz ANJJZBBWIDNMPI-UHFFFAOYSA-N 1 2 403.866 3.821 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+](C)CCOc3ccc(Cl)cc3)n2)cc1 ZINC000022189567 558465680 /nfs/dbraw/zinc/46/56/80/558465680.db2.gz ANJJZBBWIDNMPI-UHFFFAOYSA-N 1 2 403.866 3.821 50 0 HHAALO Cc1nc(-c2ccccc2)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000022225999 558467067 /nfs/dbraw/zinc/46/70/67/558467067.db2.gz IJSGURUPRONFCH-UHFFFAOYSA-N 1 2 407.539 3.881 50 0 HHAALO COc1cc(Cl)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000022298946 558477236 /nfs/dbraw/zinc/47/72/36/558477236.db2.gz HELYOZSRJOOTPH-UHFFFAOYSA-N 1 2 415.342 3.509 50 0 HHAALO OCCN1CC[NH+](CCO[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022442414 558489710 /nfs/dbraw/zinc/48/97/10/558489710.db2.gz ZAAWVPYDNUHLJE-HXUWFJFHSA-N 1 2 418.990 3.715 50 0 HHAALO Cc1cc2occ(CC(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c2cc1C(C)C ZINC000022484589 558491997 /nfs/dbraw/zinc/49/19/97/558491997.db2.gz KXWKAJKOUKFVNC-UHFFFAOYSA-N 1 2 407.514 3.955 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000012981164 558493446 /nfs/dbraw/zinc/49/34/46/558493446.db2.gz PDVSISMORYJWJE-MRXNPFEDSA-N 1 2 411.527 3.828 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000012981164 558493447 /nfs/dbraw/zinc/49/34/47/558493447.db2.gz PDVSISMORYJWJE-MRXNPFEDSA-N 1 2 411.527 3.828 50 0 HHAALO O=c1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c2sc3c(c21)CCC3 ZINC000013038412 558505615 /nfs/dbraw/zinc/50/56/15/558505615.db2.gz BCDBGZNUEOLSDI-HNNXBMFYSA-N 1 2 409.511 3.582 50 0 HHAALO O=c1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]c2sc3c(c21)CCC3 ZINC000013038412 558505617 /nfs/dbraw/zinc/50/56/17/558505617.db2.gz BCDBGZNUEOLSDI-HNNXBMFYSA-N 1 2 409.511 3.582 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1F ZINC000022786601 558511049 /nfs/dbraw/zinc/51/10/49/558511049.db2.gz BSWRFKKDWSGLDZ-OAHLLOKOSA-N 1 2 405.901 3.633 50 0 HHAALO COc1cccc2c1Sc1ccc(Cl)cc1C[C@@H]2[NH+]1CCN(CCO)CC1 ZINC000022865525 558517775 /nfs/dbraw/zinc/51/77/75/558517775.db2.gz XUWMGDJVYVJBHG-SFHVURJKSA-N 1 2 404.963 3.707 50 0 HHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000022902805 558519497 /nfs/dbraw/zinc/51/94/97/558519497.db2.gz QSTHRYZCCOLVDH-IBGZPJMESA-N 1 2 408.420 3.697 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(F)cc1 ZINC000023778468 558575759 /nfs/dbraw/zinc/57/57/59/558575759.db2.gz ISJMBESMCFKUEE-SFHVURJKSA-N 1 2 424.457 3.985 50 0 HHAALO O=C(COc1ccccc1-c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023989564 558583444 /nfs/dbraw/zinc/58/34/44/558583444.db2.gz VCHVVDOWDUILOM-UHFFFAOYSA-N 1 2 416.521 3.881 50 0 HHAALO CSc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000024178678 558591212 /nfs/dbraw/zinc/59/12/12/558591212.db2.gz AUTCLJAGVDPEMB-UHFFFAOYSA-N 1 2 418.946 3.791 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4onc(C)c43)CC2)cc1F ZINC000024975772 558623553 /nfs/dbraw/zinc/62/35/53/558623553.db2.gz SABFCKLBDQVJIB-UHFFFAOYSA-N 1 2 424.476 3.514 50 0 HHAALO CC[N@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(Cl)s1 ZINC000014142248 558625296 /nfs/dbraw/zinc/62/52/96/558625296.db2.gz QPLYEXVYYVZPLP-UHFFFAOYSA-N 1 2 407.967 3.904 50 0 HHAALO CC[N@@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(Cl)s1 ZINC000014142248 558625299 /nfs/dbraw/zinc/62/52/99/558625299.db2.gz QPLYEXVYYVZPLP-UHFFFAOYSA-N 1 2 407.967 3.904 50 0 HHAALO Cc1cccc(N2CC[NH+](CC(=O)Nc3ccccc3OCC(F)(F)F)CC2)c1 ZINC000025049644 558628494 /nfs/dbraw/zinc/62/84/94/558628494.db2.gz MXUMMKFZLNSSPS-UHFFFAOYSA-N 1 2 407.436 3.697 50 0 HHAALO O[C@H](COCc1ccc2c(c1)OCO2)C[N@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000025301592 558637305 /nfs/dbraw/zinc/63/73/05/558637305.db2.gz AOLCOABCVWTMEO-INIZCTEOSA-N 1 2 407.869 3.750 50 0 HHAALO O[C@H](COCc1ccc2c(c1)OCO2)C[N@@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000025301592 558637308 /nfs/dbraw/zinc/63/73/08/558637308.db2.gz AOLCOABCVWTMEO-INIZCTEOSA-N 1 2 407.869 3.750 50 0 HHAALO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025719673 558648669 /nfs/dbraw/zinc/64/86/69/558648669.db2.gz BCGMMVJXINYRBZ-UHFFFAOYSA-N 1 2 417.509 3.733 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026464107 558661626 /nfs/dbraw/zinc/66/16/26/558661626.db2.gz AUCNYFNYCMHQPM-QGZVFWFLSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026464107 558661629 /nfs/dbraw/zinc/66/16/29/558661629.db2.gz AUCNYFNYCMHQPM-QGZVFWFLSA-N 1 2 417.296 3.604 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000027581434 558675708 /nfs/dbraw/zinc/67/57/08/558675708.db2.gz MEVFGLBDNMVCIJ-OAQYLSRUSA-N 1 2 402.922 3.525 50 0 HHAALO COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)cc1O ZINC000014999639 558697424 /nfs/dbraw/zinc/69/74/24/558697424.db2.gz NDCVGIVTFCOCDW-MOPGFXCFSA-N 1 2 418.534 3.800 50 0 HHAALO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)cc1O ZINC000014999639 558697427 /nfs/dbraw/zinc/69/74/27/558697427.db2.gz NDCVGIVTFCOCDW-MOPGFXCFSA-N 1 2 418.534 3.800 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@H]1c1ccccc1 ZINC000015064157 558707027 /nfs/dbraw/zinc/70/70/27/558707027.db2.gz CSJQYIGZNNNSRZ-NRFANRHFSA-N 1 2 413.424 3.661 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@H]1c1ccccc1 ZINC000015064157 558707030 /nfs/dbraw/zinc/70/70/30/558707030.db2.gz CSJQYIGZNNNSRZ-NRFANRHFSA-N 1 2 413.424 3.661 50 0 HHAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000015524441 558742385 /nfs/dbraw/zinc/74/23/85/558742385.db2.gz ZYDLISHMRKGLPI-OAHLLOKOSA-N 1 2 417.912 3.835 50 0 HHAALO O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000030928645 558744625 /nfs/dbraw/zinc/74/46/25/558744625.db2.gz FDDYLBPBXIOHEX-UHFFFAOYSA-N 1 2 416.547 3.714 50 0 HHAALO C[NH+](C)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1c(F)cccc1Cl ZINC000032983720 558804754 /nfs/dbraw/zinc/80/47/54/558804754.db2.gz SOKBDLSXZRCZFZ-KRWDZBQOSA-N 1 2 419.884 3.586 50 0 HHAALO CCOc1ccc(CNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1OC ZINC000033071043 558866333 /nfs/dbraw/zinc/86/63/33/558866333.db2.gz FKSGYZYMOJPPJA-UHFFFAOYSA-N 1 2 408.502 3.503 50 0 HHAALO Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)[nH+]c2c1 ZINC000033070736 558866347 /nfs/dbraw/zinc/86/63/47/558866347.db2.gz FCTWHSYAOPHMHP-UHFFFAOYSA-N 1 2 421.520 3.576 50 0 HHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)[nH]c2c1 ZINC000033070736 558866349 /nfs/dbraw/zinc/86/63/49/558866349.db2.gz FCTWHSYAOPHMHP-UHFFFAOYSA-N 1 2 421.520 3.576 50 0 HHAALO CCCCn1c(C[N@H+](C)Cc2cccc3ncccc23)cnc1S(=O)(=O)CC ZINC000055134000 558873851 /nfs/dbraw/zinc/87/38/51/558873851.db2.gz GXFPZWZRGOTFCH-UHFFFAOYSA-N 1 2 400.548 3.657 50 0 HHAALO CCCCn1c(C[N@@H+](C)Cc2cccc3ncccc23)cnc1S(=O)(=O)CC ZINC000055134000 558873852 /nfs/dbraw/zinc/87/38/52/558873852.db2.gz GXFPZWZRGOTFCH-UHFFFAOYSA-N 1 2 400.548 3.657 50 0 HHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000033106528 558874265 /nfs/dbraw/zinc/87/42/65/558874265.db2.gz WRCJMXVCFGVVMD-UHFFFAOYSA-N 1 2 403.408 3.946 50 0 HHAALO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057291754 558888067 /nfs/dbraw/zinc/88/80/67/558888067.db2.gz HOCLLEVHSTVUCG-MRXNPFEDSA-N 1 2 403.448 3.805 50 0 HHAALO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000058159101 558904174 /nfs/dbraw/zinc/90/41/74/558904174.db2.gz QLPZIWYETTVXPV-CQSZACIVSA-N 1 2 406.299 3.737 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058159443 558904417 /nfs/dbraw/zinc/90/44/17/558904417.db2.gz WFVTUOMKYVQTJZ-HNNXBMFYSA-N 1 2 418.335 3.607 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000058171352 558908098 /nfs/dbraw/zinc/90/80/98/558908098.db2.gz AJJPPGQRFFGIHN-UHFFFAOYSA-N 1 2 408.546 3.533 50 0 HHAALO COc1ccccc1N1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000058173611 558908831 /nfs/dbraw/zinc/90/88/31/558908831.db2.gz CVYAZTMKDFOPMO-GOSISDBHSA-N 1 2 411.571 3.735 50 0 HHAALO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000058215744 558912660 /nfs/dbraw/zinc/91/26/60/558912660.db2.gz WUPBTESNZFNMGV-UHFFFAOYSA-N 1 2 402.454 3.732 50 0 HHAALO O=C(CCCc1nc(-c2cccs2)no1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000033226998 558913401 /nfs/dbraw/zinc/91/34/01/558913401.db2.gz PLBCJBNDQJWXTO-UHFFFAOYSA-N 1 2 407.499 3.682 50 0 HHAALO COc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Br ZINC000019537325 558914003 /nfs/dbraw/zinc/91/40/03/558914003.db2.gz SGUYJYIVALSYSC-UHFFFAOYSA-N 1 2 419.319 3.504 50 0 HHAALO COc1cc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1O ZINC000019549426 558914135 /nfs/dbraw/zinc/91/41/35/558914135.db2.gz VZIUCJNLJICNFT-UHFFFAOYSA-N 1 2 410.436 3.746 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1O ZINC000019549426 558914138 /nfs/dbraw/zinc/91/41/38/558914138.db2.gz VZIUCJNLJICNFT-UHFFFAOYSA-N 1 2 410.436 3.746 50 0 HHAALO Cc1ccc2nc(-c3cnn(C)c3)cc(C(=O)N(Cc3[nH+]ccn3C)C(C)C)c2c1 ZINC000063884218 558960983 /nfs/dbraw/zinc/96/09/83/558960983.db2.gz SOKGSMNBFRWPCB-UHFFFAOYSA-N 1 2 402.502 3.728 50 0 HHAALO CN1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1=O ZINC000072423484 558978607 /nfs/dbraw/zinc/97/86/07/558978607.db2.gz GJWSFTQTBFOXCK-UHFFFAOYSA-N 1 2 400.482 3.619 50 0 HHAALO CN1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1=O ZINC000072423484 558978609 /nfs/dbraw/zinc/97/86/09/558978609.db2.gz GJWSFTQTBFOXCK-UHFFFAOYSA-N 1 2 400.482 3.619 50 0 HHAALO C[C@@H]1CC[C@H](C)N1C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000067868636 558994232 /nfs/dbraw/zinc/99/42/32/558994232.db2.gz ZXMPYKDLETUUCD-FMNOIEFDSA-N 1 2 408.546 3.519 50 0 HHAALO COC(=O)c1c2c(sc1NC(=O)c1cc(C)no1)C[N@@H+](Cc1ccccc1)CC2 ZINC000023128090 559016314 /nfs/dbraw/zinc/01/63/14/559016314.db2.gz GZJLEIMIYARQQU-UHFFFAOYSA-N 1 2 411.483 3.642 50 0 HHAALO COC(=O)c1c2c(sc1NC(=O)c1cc(C)no1)C[N@H+](Cc1ccccc1)CC2 ZINC000023128090 559016315 /nfs/dbraw/zinc/01/63/15/559016315.db2.gz GZJLEIMIYARQQU-UHFFFAOYSA-N 1 2 411.483 3.642 50 0 HHAALO COc1cc2nc(C3CCC3)nc(N3CCN(c4cccc[nH+]4)CC3)c2cc1OC ZINC000033293658 559048568 /nfs/dbraw/zinc/04/85/68/559048568.db2.gz GPLGXZOMVXBMDO-UHFFFAOYSA-N 1 2 405.502 3.636 50 0 HHAALO Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1C ZINC000033312822 559054922 /nfs/dbraw/zinc/05/49/22/559054922.db2.gz JFUQXLRWHZBBQX-VWLOTQADSA-N 1 2 419.569 3.532 50 0 HHAALO Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCCC2)cc1C ZINC000033312822 559054923 /nfs/dbraw/zinc/05/49/23/559054923.db2.gz JFUQXLRWHZBBQX-VWLOTQADSA-N 1 2 419.569 3.532 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000033312841 559055008 /nfs/dbraw/zinc/05/50/08/559055008.db2.gz VMIPUFMSZKLWEW-NBGIEHNGSA-N 1 2 419.569 3.722 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000033312841 559055010 /nfs/dbraw/zinc/05/50/10/559055010.db2.gz VMIPUFMSZKLWEW-NBGIEHNGSA-N 1 2 419.569 3.722 50 0 HHAALO CCOc1ccc(CC(=O)N2CCN(c3[nH+]ccn3-c3cccc(Cl)c3)CC2)cc1 ZINC000011695723 559188948 /nfs/dbraw/zinc/18/89/48/559188948.db2.gz HPFYGAVNYVQOGP-UHFFFAOYSA-N 1 2 424.932 3.816 50 0 HHAALO Cc1cccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=S)c1 ZINC000100755402 559263535 /nfs/dbraw/zinc/26/35/35/559263535.db2.gz KJCATAWQFHHVIF-LJQANCHMSA-N 1 2 404.495 3.626 50 0 biogenic HHAALO [NH2+]=c1n(CCN2CCOCC2)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1 ZINC000253470541 559280640 /nfs/dbraw/zinc/28/06/40/559280640.db2.gz DDNSZTVTMXNQBB-UHFFFAOYSA-N 1 2 412.537 3.970 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000061879511 560561990 /nfs/dbraw/zinc/56/19/90/560561990.db2.gz MWOJVAXYVJUMMB-UUOWRZLLSA-N 1 2 405.542 3.594 50 0 HHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2F)c(OC)c1 ZINC000003323143 560592528 /nfs/dbraw/zinc/59/25/28/560592528.db2.gz AAVSTCYCJOJGQT-UHFFFAOYSA-N 1 2 411.271 3.676 50 0 HHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)c(OC)c1 ZINC000003323143 560592529 /nfs/dbraw/zinc/59/25/29/560592529.db2.gz AAVSTCYCJOJGQT-UHFFFAOYSA-N 1 2 411.271 3.676 50 0 HHAALO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018214223 560784843 /nfs/dbraw/zinc/78/48/43/560784843.db2.gz GAIZCLIPAOHSOO-INIZCTEOSA-N 1 2 404.963 3.969 50 0 HHAALO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000018236438 560785325 /nfs/dbraw/zinc/78/53/25/560785325.db2.gz OYALKPGBBLHVEQ-NRFANRHFSA-N 1 2 418.476 3.585 50 0 HHAALO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000024497943 560841178 /nfs/dbraw/zinc/84/11/78/560841178.db2.gz NENHBMYUQBTIJM-HNNXBMFYSA-N 1 2 409.349 3.517 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000105551593 560875583 /nfs/dbraw/zinc/87/55/83/560875583.db2.gz SMELWYAABSTMBE-OCCSQVGLSA-N 1 2 423.485 3.690 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000105551593 560875584 /nfs/dbraw/zinc/87/55/84/560875584.db2.gz SMELWYAABSTMBE-OCCSQVGLSA-N 1 2 423.485 3.690 50 0 HHAALO O=S(=O)(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022907920 568415969 /nfs/dbraw/zinc/41/59/69/568415969.db2.gz UVZAULDZTYYZTR-KRWDZBQOSA-N 1 2 404.582 3.888 50 0 HHAALO O=S(=O)(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022907920 568415970 /nfs/dbraw/zinc/41/59/70/568415970.db2.gz UVZAULDZTYYZTR-KRWDZBQOSA-N 1 2 404.582 3.888 50 0 HHAALO O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-n2cc[nH+]c2)ncc1Br ZINC000046086883 568428224 /nfs/dbraw/zinc/42/82/24/568428224.db2.gz HMLJGXIQBPZZQH-UHFFFAOYSA-N 1 2 413.062 3.984 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1OC[C@@H]1CCCO1 ZINC000048249403 568433325 /nfs/dbraw/zinc/43/33/25/568433325.db2.gz PGJHFYFRNJYGCS-FQEVSTJZSA-N 1 2 409.530 3.950 50 0 HHAALO O=C(C[NH+]1CC(c2nc(-c3cccs3)no2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000049484566 568450907 /nfs/dbraw/zinc/45/09/07/568450907.db2.gz BTEUUZUWORXEKY-UHFFFAOYSA-N 1 2 424.404 3.735 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCCN(C(=O)C3CCCC3)CC2)cc1 ZINC000000693854 568462337 /nfs/dbraw/zinc/46/23/37/568462337.db2.gz ZAEGXFVELCUYTF-UHFFFAOYSA-N 1 2 422.573 3.922 50 0 HHAALO C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024975652 568516673 /nfs/dbraw/zinc/51/66/73/568516673.db2.gz XPGYQRBRNBGKCL-IBGZPJMESA-N 1 2 420.582 3.912 50 0 HHAALO C[C@H](Oc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000095401029 568604905 /nfs/dbraw/zinc/60/49/05/568604905.db2.gz HEDDQFVJBJKRTB-KRWDZBQOSA-N 1 2 422.447 3.739 50 0 HHAALO O=C(C[N@H+]1CCCN(CC(F)F)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000095452699 568615344 /nfs/dbraw/zinc/61/53/44/568615344.db2.gz WDRQQPDONNBKEP-UHFFFAOYSA-N 1 2 415.528 3.598 50 0 HHAALO O=C(C[N@@H+]1CCCN(CC(F)F)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000095452699 568615346 /nfs/dbraw/zinc/61/53/46/568615346.db2.gz WDRQQPDONNBKEP-UHFFFAOYSA-N 1 2 415.528 3.598 50 0 HHAALO CCc1c(C)sc2nc(SCCCn3cc[nH+]c3)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000095468080 568625056 /nfs/dbraw/zinc/62/50/56/568625056.db2.gz VAAIOXYJKRBTON-HNNXBMFYSA-N 1 2 418.588 3.887 50 0 HHAALO COc1cccc(C[N@H+](Cc2ncc(C3OCCO3)s2)C2CCC(O)CC2)c1 ZINC000225638488 568659252 /nfs/dbraw/zinc/65/92/52/568659252.db2.gz WFTUWZIDMGBENP-UHFFFAOYSA-N 1 2 404.532 3.503 50 0 HHAALO COc1cccc(C[N@@H+](Cc2ncc(C3OCCO3)s2)C2CCC(O)CC2)c1 ZINC000225638488 568659258 /nfs/dbraw/zinc/65/92/58/568659258.db2.gz WFTUWZIDMGBENP-UHFFFAOYSA-N 1 2 404.532 3.503 50 0 HHAALO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc1)[C@@H](C)C2 ZINC000096003370 568681838 /nfs/dbraw/zinc/68/18/38/568681838.db2.gz GDRMGUPOCQNIFM-KSFYIVLOSA-N 1 2 421.522 3.854 50 0 HHAALO Cc1ccc(F)c([C@H](CC(=O)NCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)c1 ZINC000096289152 568719687 /nfs/dbraw/zinc/71/96/87/568719687.db2.gz ROYRQOLVMWQJHF-IBGZPJMESA-N 1 2 409.505 3.586 50 0 HHAALO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3F)[NH+](C)C)no2)cc1 ZINC000238900239 568727110 /nfs/dbraw/zinc/72/71/10/568727110.db2.gz IDLFYXFOVJRYEZ-LJQANCHMSA-N 1 2 401.413 3.661 50 0 HHAALO C[C@H]1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000241465993 568731235 /nfs/dbraw/zinc/73/12/35/568731235.db2.gz NTSIXYCCMDKUEO-DOTOQJQBSA-N 1 2 416.497 3.663 50 0 HHAALO CCc1ccccc1NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1C ZINC000000929945 568750886 /nfs/dbraw/zinc/75/08/86/568750886.db2.gz PTBPTSLQYWCRIH-UHFFFAOYSA-N 1 2 420.542 3.770 50 0 HHAALO O=C(NCc1ccccc1F)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724394 568750968 /nfs/dbraw/zinc/75/09/68/568750968.db2.gz PJAHZXIJZGGEEO-UHFFFAOYSA-N 1 2 412.440 3.543 50 0 HHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000022064099 568764582 /nfs/dbraw/zinc/76/45/82/568764582.db2.gz UXPUQSAXXRGCFF-QGZVFWFLSA-N 1 2 408.571 3.845 50 0 HHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000022064099 568764583 /nfs/dbraw/zinc/76/45/83/568764583.db2.gz UXPUQSAXXRGCFF-QGZVFWFLSA-N 1 2 408.571 3.845 50 0 HHAALO COC(=O)CCCCCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096998616 568766063 /nfs/dbraw/zinc/76/60/63/568766063.db2.gz QDSWQMMNBNPSLV-HDICACEKSA-N 1 2 405.539 3.541 50 0 HHAALO COC(=O)CCCCCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096998616 568766064 /nfs/dbraw/zinc/76/60/64/568766064.db2.gz QDSWQMMNBNPSLV-HDICACEKSA-N 1 2 405.539 3.541 50 0 HHAALO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)c1 ZINC000029017406 568815105 /nfs/dbraw/zinc/81/51/05/568815105.db2.gz YVFRMYMVSYCVNB-QGZVFWFLSA-N 1 2 409.511 3.990 50 0 HHAALO CCCC[N@H+](CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 ZINC000002943424 568819628 /nfs/dbraw/zinc/81/96/28/568819628.db2.gz YBMSFBFDGMBBCL-UHFFFAOYSA-N 1 2 418.541 3.723 50 0 HHAALO CCCC[N@@H+](CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 ZINC000002943424 568819630 /nfs/dbraw/zinc/81/96/30/568819630.db2.gz YBMSFBFDGMBBCL-UHFFFAOYSA-N 1 2 418.541 3.723 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000056896080 568820921 /nfs/dbraw/zinc/82/09/21/568820921.db2.gz CPKSMNLNWMREBL-QHCPKHFHSA-N 1 2 404.489 3.514 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057054209 568823678 /nfs/dbraw/zinc/82/36/78/568823678.db2.gz XZBHJDFYZKNLHD-UHFFFAOYSA-N 1 2 408.933 3.528 50 0 HHAALO O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000057156140 568824689 /nfs/dbraw/zinc/82/46/89/568824689.db2.gz UWWANOHBAJOSBG-UHFFFAOYSA-N 1 2 412.493 3.890 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057347854 568827362 /nfs/dbraw/zinc/82/73/62/568827362.db2.gz IIOSDSPVDBAUDE-DEOSSOPVSA-N 1 2 418.541 3.521 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057347854 568827363 /nfs/dbraw/zinc/82/73/63/568827363.db2.gz IIOSDSPVDBAUDE-DEOSSOPVSA-N 1 2 418.541 3.521 50 0 HHAALO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057406384 568832735 /nfs/dbraw/zinc/83/27/35/568832735.db2.gz HECGBIKRRKEQRL-OAHLLOKOSA-N 1 2 407.436 3.863 50 0 HHAALO CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000012520494 568841310 /nfs/dbraw/zinc/84/13/10/568841310.db2.gz ALBDCUFJRKERRU-JOCHJYFZSA-N 1 2 424.589 3.630 50 0 HHAALO Cc1cc(C)c(NC(=O)CNC(=O)CCSCc2cn3ccccc3[nH+]2)c(C)c1 ZINC000012520581 568841321 /nfs/dbraw/zinc/84/13/21/568841321.db2.gz UISGKDPUGZWVHZ-UHFFFAOYSA-N 1 2 410.543 3.638 50 0 HHAALO C[C@H](NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547237 568850883 /nfs/dbraw/zinc/85/08/83/568850883.db2.gz DRZNJCKZMGPYER-HNNXBMFYSA-N 1 2 412.490 3.561 50 0 HHAALO Cc1ccn2cc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)nc2c1 ZINC000012547804 568851010 /nfs/dbraw/zinc/85/10/10/568851010.db2.gz PPWNWQFDENIVDV-UHFFFAOYSA-N 1 2 403.511 3.910 50 0 HHAALO Cc1ccn2cc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)nc2c1 ZINC000012547804 568851013 /nfs/dbraw/zinc/85/10/13/568851013.db2.gz PPWNWQFDENIVDV-UHFFFAOYSA-N 1 2 403.511 3.910 50 0 HHAALO CC(=O)Nc1ccc(SCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000012548097 568851260 /nfs/dbraw/zinc/85/12/60/568851260.db2.gz FPROTIMZZKSGOL-FQEVSTJZSA-N 1 2 412.490 3.516 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(-c2ccco2)[nH]n1 ZINC000012552473 568854348 /nfs/dbraw/zinc/85/43/48/568854348.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N 1 2 405.483 3.937 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(-c2ccco2)[nH]n1 ZINC000012552473 568854349 /nfs/dbraw/zinc/85/43/49/568854349.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N 1 2 405.483 3.937 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc(-c2ccco2)n[nH]1 ZINC000012552473 568854350 /nfs/dbraw/zinc/85/43/50/568854350.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N 1 2 405.483 3.937 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc(-c2ccco2)n[nH]1 ZINC000012552473 568854351 /nfs/dbraw/zinc/85/43/51/568854351.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N 1 2 405.483 3.937 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1[nH+]ccn1C ZINC000012552515 568854394 /nfs/dbraw/zinc/85/43/94/568854394.db2.gz KCJUSEOLFIIDCU-OAQYLSRUSA-N 1 2 419.460 3.581 50 0 HHAALO COc1ccc(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c(OC)c1OC ZINC000012575739 568862445 /nfs/dbraw/zinc/86/24/45/568862445.db2.gz JJUBMKTVEKDEFY-UHFFFAOYSA-N 1 2 409.486 3.970 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000012601000 568869871 /nfs/dbraw/zinc/86/98/71/568869871.db2.gz VYFIWNLKDKJWRQ-HKWRFOASSA-N 1 2 408.889 3.514 50 0 HHAALO Cc1cc(SCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000012608278 568871438 /nfs/dbraw/zinc/87/14/38/568871438.db2.gz COLRERSRESWPLJ-HXUWFJFHSA-N 1 2 421.566 3.653 50 0 HHAALO Cc1cc(SCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc2ccccc12 ZINC000012608278 568871440 /nfs/dbraw/zinc/87/14/40/568871440.db2.gz COLRERSRESWPLJ-HXUWFJFHSA-N 1 2 421.566 3.653 50 0 HHAALO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000003284165 568872107 /nfs/dbraw/zinc/87/21/07/568872107.db2.gz AQUDLCMAQMYOBE-UHFFFAOYSA-N 1 2 403.935 3.627 50 0 HHAALO Cc1cccn2cc(CN3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CCC3=O)[nH+]c12 ZINC000299755226 568872618 /nfs/dbraw/zinc/87/26/18/568872618.db2.gz BRHMJMTUKXZIBL-RMKNXTFCSA-N 1 2 422.916 3.570 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)Oc1ccccc1 ZINC000058136039 568890308 /nfs/dbraw/zinc/89/03/08/568890308.db2.gz HHRYZIZSPFIOOJ-QHCPKHFHSA-N 1 2 420.488 3.873 50 0 HHAALO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 ZINC000004087188 568940832 /nfs/dbraw/zinc/94/08/32/568940832.db2.gz PAQLOOYXWMZRNA-UHFFFAOYSA-N 1 2 404.344 3.846 50 0 HHAALO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 ZINC000004087188 568940834 /nfs/dbraw/zinc/94/08/34/568940834.db2.gz PAQLOOYXWMZRNA-UHFFFAOYSA-N 1 2 404.344 3.846 50 0 HHAALO C[C@H]1CCCCN1C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000008345929 568994684 /nfs/dbraw/zinc/99/46/84/568994684.db2.gz FKHWMBUWEBKXDV-SFHVURJKSA-N 1 2 413.591 3.746 50 0 HHAALO Fc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000015779707 569001878 /nfs/dbraw/zinc/00/18/78/569001878.db2.gz QSNUWYIDXDVWBA-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO Fc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000015779707 569001879 /nfs/dbraw/zinc/00/18/79/569001879.db2.gz QSNUWYIDXDVWBA-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO COc1ccc(C)cc1N(C)C(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404122 569035681 /nfs/dbraw/zinc/03/56/81/569035681.db2.gz PFYRISKKOAQPRX-UHFFFAOYSA-N 1 2 416.525 3.941 50 0 HHAALO COc1ccc(C)cc1N(C)C(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404122 569035682 /nfs/dbraw/zinc/03/56/82/569035682.db2.gz PFYRISKKOAQPRX-UHFFFAOYSA-N 1 2 416.525 3.941 50 0 HHAALO CC1(C)Cc2cccc(OCC(=O)NCCCn3cc[nH+]c3-c3ccccc3)c2O1 ZINC000090583322 569041300 /nfs/dbraw/zinc/04/13/00/569041300.db2.gz WAASPALSBQWUGI-UHFFFAOYSA-N 1 2 405.498 3.849 50 0 HHAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)c1cc2ccccc2oc1=O ZINC000035598173 569045828 /nfs/dbraw/zinc/04/58/28/569045828.db2.gz QEQQJFFGFJPNOO-UHFFFAOYSA-N 1 2 424.420 3.765 50 0 HHAALO O=C(c1cc(F)c(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013001168 569049508 /nfs/dbraw/zinc/04/95/08/569049508.db2.gz MRGFRIFGGNQDCX-UHFFFAOYSA-N 1 2 411.260 3.819 50 0 HHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 ZINC000240407381 569054576 /nfs/dbraw/zinc/05/45/76/569054576.db2.gz FLVIPEYGDVMYIU-SMOSDQRPSA-N 1 2 414.937 3.515 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245329475 569056066 /nfs/dbraw/zinc/05/60/66/569056066.db2.gz ZJJGWZQWROXYET-TUFLPTIASA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245329475 569056067 /nfs/dbraw/zinc/05/60/67/569056067.db2.gz ZJJGWZQWROXYET-TUFLPTIASA-N 1 2 422.912 3.792 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000247871085 569057598 /nfs/dbraw/zinc/05/75/98/569057598.db2.gz LKISCTNMRXYASH-ANULTFPQSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000247871085 569057599 /nfs/dbraw/zinc/05/75/99/569057599.db2.gz LKISCTNMRXYASH-ANULTFPQSA-N 1 2 422.912 3.792 50 0 HHAALO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C)CCCC2 ZINC000089522743 569063844 /nfs/dbraw/zinc/06/38/44/569063844.db2.gz JIBNYQWDBGISOL-HNNXBMFYSA-N 1 2 416.547 3.529 50 0 HHAALO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C)CCCC2 ZINC000089522743 569063845 /nfs/dbraw/zinc/06/38/45/569063845.db2.gz JIBNYQWDBGISOL-HNNXBMFYSA-N 1 2 416.547 3.529 50 0 HHAALO COC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C)CCCC2 ZINC000089522745 569063900 /nfs/dbraw/zinc/06/39/00/569063900.db2.gz JIBNYQWDBGISOL-OAHLLOKOSA-N 1 2 416.547 3.529 50 0 HHAALO COC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C)CCCC2 ZINC000089522745 569063901 /nfs/dbraw/zinc/06/39/01/569063901.db2.gz JIBNYQWDBGISOL-OAHLLOKOSA-N 1 2 416.547 3.529 50 0 HHAALO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006552859 569065371 /nfs/dbraw/zinc/06/53/71/569065371.db2.gz RLPNCWXGZYEAQY-UHFFFAOYSA-N 1 2 413.521 3.922 50 0 HHAALO Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000006552859 569065372 /nfs/dbraw/zinc/06/53/72/569065372.db2.gz RLPNCWXGZYEAQY-UHFFFAOYSA-N 1 2 413.521 3.922 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000006590412 569068459 /nfs/dbraw/zinc/06/84/59/569068459.db2.gz NEOVJNWGMARCRR-GOSISDBHSA-N 1 2 406.490 3.552 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)c1 ZINC000006590412 569068460 /nfs/dbraw/zinc/06/84/60/569068460.db2.gz NEOVJNWGMARCRR-GOSISDBHSA-N 1 2 406.490 3.552 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cc(C)n[nH]4)csc3C2)nc1 ZINC000426497364 569073144 /nfs/dbraw/zinc/07/31/44/569073144.db2.gz QCHIZQBHZNJNTG-UHFFFAOYSA-N 1 2 409.559 3.568 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cc(C)n[nH]4)csc3C2)nc1 ZINC000426497364 569073145 /nfs/dbraw/zinc/07/31/45/569073145.db2.gz QCHIZQBHZNJNTG-UHFFFAOYSA-N 1 2 409.559 3.568 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)Cc3ccnc(C)c3)csc2C1 ZINC000426690372 569073910 /nfs/dbraw/zinc/07/39/10/569073910.db2.gz YKVZYSBJNXPGPJ-UHFFFAOYSA-N 1 2 410.543 3.887 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)Cc3ccnc(C)c3)csc2C1 ZINC000426690372 569073911 /nfs/dbraw/zinc/07/39/11/569073911.db2.gz YKVZYSBJNXPGPJ-UHFFFAOYSA-N 1 2 410.543 3.887 50 0 HHAALO CC[C@H](C)CN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000036032679 569079944 /nfs/dbraw/zinc/07/99/44/569079944.db2.gz JDLLLHPYHJAYIY-RXVVDRJESA-N 1 2 415.578 3.520 50 0 HHAALO CC[C@@H](C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036252079 569119487 /nfs/dbraw/zinc/11/94/87/569119487.db2.gz DZLAOLUXDJWKRC-OXQOHEQNSA-N 1 2 405.970 3.571 50 0 HHAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)CC)cc1 ZINC000169680301 569126758 /nfs/dbraw/zinc/12/67/58/569126758.db2.gz HOTRYOCWFBYLBN-FXAWDEMLSA-N 1 2 415.534 3.783 50 0 HHAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)CC)cc1 ZINC000169680301 569126760 /nfs/dbraw/zinc/12/67/60/569126760.db2.gz HOTRYOCWFBYLBN-FXAWDEMLSA-N 1 2 415.534 3.783 50 0 HHAALO CCc1cc(N(CC)CC)nc(SCc2ccc(C(=O)NCCOC)cc2)[nH+]1 ZINC000006802294 569129694 /nfs/dbraw/zinc/12/96/94/569129694.db2.gz SRHDYECKULIPDN-UHFFFAOYSA-N 1 2 402.564 3.554 50 0 HHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1 ZINC000006822732 569141141 /nfs/dbraw/zinc/14/11/41/569141141.db2.gz KONGIHZNLZBMFG-SFHVURJKSA-N 1 2 406.490 3.552 50 0 HHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1 ZINC000006822732 569141142 /nfs/dbraw/zinc/14/11/42/569141142.db2.gz KONGIHZNLZBMFG-SFHVURJKSA-N 1 2 406.490 3.552 50 0 HHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065171468 569188811 /nfs/dbraw/zinc/18/88/11/569188811.db2.gz DIZDEVYRAPWYOK-UHFFFAOYSA-N 1 2 400.475 3.992 50 0 HHAALO CCOc1ccc(NC(=O)C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000065237040 569202717 /nfs/dbraw/zinc/20/27/17/569202717.db2.gz BEJGIISTBVMHOA-UHFFFAOYSA-N 1 2 409.534 3.721 50 0 HHAALO CCOc1ccc(NC(=O)C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000065237040 569202718 /nfs/dbraw/zinc/20/27/18/569202718.db2.gz BEJGIISTBVMHOA-UHFFFAOYSA-N 1 2 409.534 3.721 50 0 HHAALO COc1cccc([C@@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245345 569205188 /nfs/dbraw/zinc/20/51/88/569205188.db2.gz GDFKQDULDXYJQJ-QZTJIDSGSA-N 1 2 423.561 3.934 50 0 HHAALO COc1cccc([C@@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245345 569205189 /nfs/dbraw/zinc/20/51/89/569205189.db2.gz GDFKQDULDXYJQJ-QZTJIDSGSA-N 1 2 423.561 3.934 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1 ZINC000065250103 569206105 /nfs/dbraw/zinc/20/61/05/569206105.db2.gz JRTXVCUWIDGWGU-IBGZPJMESA-N 1 2 412.440 3.858 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1 ZINC000065250103 569206106 /nfs/dbraw/zinc/20/61/06/569206106.db2.gz JRTXVCUWIDGWGU-IBGZPJMESA-N 1 2 412.440 3.858 50 0 HHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)COc1ccccc1)C2 ZINC000065260094 569211008 /nfs/dbraw/zinc/21/10/08/569211008.db2.gz HRHQUGOPSIDBRU-XMMPIXPASA-N 1 2 406.530 3.970 50 0 HHAALO C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050227 569211857 /nfs/dbraw/zinc/21/18/57/569211857.db2.gz PELSCAYFEVFNHP-ZDUSSCGKSA-N 1 2 406.305 3.674 50 0 HHAALO O=C(CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1)NCc1ccc(F)cc1F ZINC000065274138 569214948 /nfs/dbraw/zinc/21/49/48/569214948.db2.gz GZBOGSWHCZFZKZ-UHFFFAOYSA-N 1 2 415.488 3.642 50 0 HHAALO O=C(CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1)NCc1ccc(F)cc1F ZINC000065274138 569214949 /nfs/dbraw/zinc/21/49/49/569214949.db2.gz GZBOGSWHCZFZKZ-UHFFFAOYSA-N 1 2 415.488 3.642 50 0 HHAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700436 569222816 /nfs/dbraw/zinc/22/28/16/569222816.db2.gz ZPKCFEPKCZHEIC-FQEVSTJZSA-N 1 2 422.978 3.780 50 0 HHAALO Cc1ccc(Cl)cc1S(=O)(=O)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700436 569222817 /nfs/dbraw/zinc/22/28/17/569222817.db2.gz ZPKCFEPKCZHEIC-FQEVSTJZSA-N 1 2 422.978 3.780 50 0 HHAALO CCCc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700366 569222906 /nfs/dbraw/zinc/22/29/06/569222906.db2.gz YQAXJUXPYRQFLG-HSZRJFAPSA-N 1 2 416.587 3.771 50 0 HHAALO CCCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700366 569222907 /nfs/dbraw/zinc/22/29/07/569222907.db2.gz YQAXJUXPYRQFLG-HSZRJFAPSA-N 1 2 416.587 3.771 50 0 HHAALO Cc1nc(N2CCC(NC(=O)c3ccc(-n4cccc4)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000238812220 569224191 /nfs/dbraw/zinc/22/41/91/569224191.db2.gz AOTQHXSXOPEMKV-UHFFFAOYSA-N 1 2 415.541 3.853 50 0 HHAALO O=S(=O)(c1ccc(Nc2ccc([NH+]3CCC(O)CC3)cc2)cc1)C(F)(F)F ZINC000065529328 569233930 /nfs/dbraw/zinc/23/39/30/569233930.db2.gz IVRBKTKNCSGNIJ-UHFFFAOYSA-N 1 2 400.422 3.685 50 0 HHAALO CCC[N@H+](CC(=O)N1CC=C(c2ccccc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000007589503 569283585 /nfs/dbraw/zinc/28/35/85/569283585.db2.gz BHEMXWXTVMIMMP-UHFFFAOYSA-N 1 2 406.486 3.858 50 0 HHAALO CCC[N@@H+](CC(=O)N1CC=C(c2ccccc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000007589503 569283587 /nfs/dbraw/zinc/28/35/87/569283587.db2.gz BHEMXWXTVMIMMP-UHFFFAOYSA-N 1 2 406.486 3.858 50 0 HHAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000252444280 569285922 /nfs/dbraw/zinc/28/59/22/569285922.db2.gz NSCRMHWHGBMGRC-XLIONFOSSA-N 1 2 423.563 3.878 50 0 HHAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000252444280 569285923 /nfs/dbraw/zinc/28/59/23/569285923.db2.gz NSCRMHWHGBMGRC-XLIONFOSSA-N 1 2 423.563 3.878 50 0 HHAALO Cc1ccc(-c2nc3sccn3c2C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000037399590 569297487 /nfs/dbraw/zinc/29/74/87/569297487.db2.gz BGNYIIKWGBDKLW-UHFFFAOYSA-N 1 2 406.511 3.922 50 0 HHAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)o1 ZINC000007696625 569301035 /nfs/dbraw/zinc/30/10/35/569301035.db2.gz IZBWEPKPGJGGCP-UHFFFAOYSA-N 1 2 405.498 3.631 50 0 HHAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)o1 ZINC000007696625 569301037 /nfs/dbraw/zinc/30/10/37/569301037.db2.gz IZBWEPKPGJGGCP-UHFFFAOYSA-N 1 2 405.498 3.631 50 0 HHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000007741346 569305998 /nfs/dbraw/zinc/30/59/98/569305998.db2.gz DYLMHOYLQWAFFL-FQEVSTJZSA-N 1 2 411.502 3.806 50 0 HHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000007741346 569305999 /nfs/dbraw/zinc/30/59/99/569305999.db2.gz DYLMHOYLQWAFFL-FQEVSTJZSA-N 1 2 411.502 3.806 50 0 HHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3C)CC2)cc1Br ZINC000054959656 569369389 /nfs/dbraw/zinc/36/93/89/569369389.db2.gz UUAKDPDQHHUTMT-UHFFFAOYSA-N 1 2 402.336 3.827 50 0 HHAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NCc4ccco4)CC3)cc(C)c2c1 ZINC000013347280 569410715 /nfs/dbraw/zinc/41/07/15/569410715.db2.gz PZECACZJSUWRDA-UHFFFAOYSA-N 1 2 406.486 3.627 50 0 HHAALO CCOC(=O)c1ccc2[nH+]cc(C(=O)OCC)c(NCCCOC(=O)C(C)C)c2c1 ZINC000019792938 569429915 /nfs/dbraw/zinc/42/99/15/569429915.db2.gz YYBMHVLZFSBEJR-UHFFFAOYSA-N 1 2 416.474 3.589 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000040024623 571139969 /nfs/dbraw/zinc/13/99/69/571139969.db2.gz LBCOZHYSCSJTRJ-IBGZPJMESA-N 1 2 423.469 3.766 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000040024623 571139970 /nfs/dbraw/zinc/13/99/70/571139970.db2.gz LBCOZHYSCSJTRJ-IBGZPJMESA-N 1 2 423.469 3.766 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCn1ccc2ccccc21)c1cccc(F)c1 ZINC000040071218 571151689 /nfs/dbraw/zinc/15/16/89/571151689.db2.gz DBYYDCRCUPWFEE-OAQYLSRUSA-N 1 2 405.477 3.993 50 0 HHAALO CCC(Nc1ccc([NH+](CC)CC)cc1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000008974797 571197916 /nfs/dbraw/zinc/19/79/16/571197916.db2.gz KQQSNHFGNSIEIW-QZQOTICOSA-N 1 2 420.513 3.887 50 0 HHAALO O=C(CCn1ccc2c1cccc2Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000040267292 571214333 /nfs/dbraw/zinc/21/43/33/571214333.db2.gz SKAGWKDENXJRQE-UHFFFAOYSA-N 1 2 413.319 3.538 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000069459938 571228208 /nfs/dbraw/zinc/22/82/08/571228208.db2.gz QYVCJISISFSLAO-KRWDZBQOSA-N 1 2 405.930 3.610 50 0 HHAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009580921 571270512 /nfs/dbraw/zinc/27/05/12/571270512.db2.gz MBRAOWPCKVOFHU-ZDUSSCGKSA-N 1 2 419.466 3.664 50 0 HHAALO Cc1c(C(=O)NC2CCCCCC2)sc2[nH]c(C[NH+]3CCCCC3)nc(=O)c12 ZINC000009684848 571279617 /nfs/dbraw/zinc/27/96/17/571279617.db2.gz HDAKNZHBFCEFSH-UHFFFAOYSA-N 1 2 402.564 3.732 50 0 HHAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1ccccc1Cl ZINC000012056432 962230767 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MQZWVLYCYNDRJH-LJQANCHMSA-N 1 2 408.546 3.909 50 0 HHAALO Cc1cccc(-c2nc3c4ccccc4nc(N4CCN(c5cccc[nH+]5)CC4)n3n2)c1 ZINC000009831172 132343504 /nfs/dbraw/zinc/34/35/04/132343504.db2.gz WFKMMVXZZRALBA-UHFFFAOYSA-N 1 2 421.508 3.975 50 0 HHAALO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1)c1ccccc1 ZINC000012414694 132359590 /nfs/dbraw/zinc/35/95/90/132359590.db2.gz NGUPPTMHFVVBAW-FQEVSTJZSA-N 1 2 417.557 3.879 50 0 HHAALO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1)c1ccccc1 ZINC000012414694 132359592 /nfs/dbraw/zinc/35/95/92/132359592.db2.gz NGUPPTMHFVVBAW-FQEVSTJZSA-N 1 2 417.557 3.879 50 0 HHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012784079 132367184 /nfs/dbraw/zinc/36/71/84/132367184.db2.gz HDEJTGSDSQLZOM-INIZCTEOSA-N 1 2 401.942 3.711 50 0 HHAALO CC(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000019800688 519834191 /nfs/dbraw/zinc/83/41/91/519834191.db2.gz NKPDADVFODUXTE-HAVVHWLPSA-N 1 2 416.525 3.984 50 0 HHAALO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000019925171 520473448 /nfs/dbraw/zinc/47/34/48/520473448.db2.gz HZWANWLBWKZPKH-UHFFFAOYSA-N 1 2 400.906 3.875 50 0 HHAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000020598700 521901378 /nfs/dbraw/zinc/90/13/78/521901378.db2.gz SDXNCQDFXXVQOQ-HXUWFJFHSA-N 1 2 422.529 3.591 50 0 HHAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000020598700 521901390 /nfs/dbraw/zinc/90/13/90/521901390.db2.gz SDXNCQDFXXVQOQ-HXUWFJFHSA-N 1 2 422.529 3.591 50 0 HHAALO COc1ccc(CC(=O)Nc2ccc(Nc3cc(-n4cccn4)nc(C)[nH+]3)cc2)cc1 ZINC000036705502 523908447 /nfs/dbraw/zinc/90/84/47/523908447.db2.gz NRSMQRKZOBOUNB-UHFFFAOYSA-N 1 2 414.469 3.904 50 0 HHAALO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022805354 524233060 /nfs/dbraw/zinc/23/30/60/524233060.db2.gz GRUGLOCRUITDTA-UHFFFAOYSA-N 1 2 407.558 3.810 50 0 HHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000032953913 525086472 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HHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(I)cc1 ZINC000001050026 557159083 /nfs/dbraw/zinc/15/90/83/557159083.db2.gz OGLUCGQGVRXQDW-CQSZACIVSA-N 1 2 422.266 3.643 50 0 HHAALO CCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855793 557477291 /nfs/dbraw/zinc/47/72/91/557477291.db2.gz WXJXQBWMNRPMMM-IQMFZBJNSA-N 1 2 400.494 3.857 50 0 HHAALO CCC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855793 557477293 /nfs/dbraw/zinc/47/72/93/557477293.db2.gz WXJXQBWMNRPMMM-IQMFZBJNSA-N 1 2 400.494 3.857 50 0 HHAALO Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005044823 557629362 /nfs/dbraw/zinc/62/93/62/557629362.db2.gz KFXXZJNEZHXQEF-QNGOZBTKSA-N 1 2 422.916 3.822 50 0 HHAALO COc1ccc(C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000022907031 557852448 /nfs/dbraw/zinc/85/24/48/557852448.db2.gz XCZFGQMUHYJGDU-NRFANRHFSA-N 1 2 406.482 3.826 50 0 HHAALO COc1ccc(C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000022907031 557852450 /nfs/dbraw/zinc/85/24/50/557852450.db2.gz XCZFGQMUHYJGDU-NRFANRHFSA-N 1 2 406.482 3.826 50 0 HHAALO CCn1cc[nH+]c1CN(C)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 ZINC000011664756 558268414 /nfs/dbraw/zinc/26/84/14/558268414.db2.gz YWJGVROGODSQPT-UHFFFAOYSA-N 1 2 404.470 3.916 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)cc(OC)c1OC ZINC000019781848 558281362 /nfs/dbraw/zinc/28/13/62/558281362.db2.gz KNHLPUQBSHHWFM-UHFFFAOYSA-N 1 2 402.560 3.752 50 0 HHAALO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000019835292 558292735 /nfs/dbraw/zinc/29/27/35/558292735.db2.gz MQBABGWJQMSDIZ-UHFFFAOYSA-N 1 2 417.337 3.668 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@@H]1c1ccccc1 ZINC000020206839 558346786 /nfs/dbraw/zinc/34/67/86/558346786.db2.gz QMGOQBMPMWYBNH-HXUWFJFHSA-N 1 2 413.424 3.661 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)C[C@@H]1c1ccccc1 ZINC000020206839 558346789 /nfs/dbraw/zinc/34/67/89/558346789.db2.gz QMGOQBMPMWYBNH-HXUWFJFHSA-N 1 2 413.424 3.661 50 0 HHAALO CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020472344 558374215 /nfs/dbraw/zinc/37/42/15/558374215.db2.gz SIKBBGYZQNVBHQ-UHFFFAOYSA-N 1 2 408.951 3.554 50 0 HHAALO Cn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012306416 558375296 /nfs/dbraw/zinc/37/52/96/558375296.db2.gz MXSBOFOWMPQXFN-NRFANRHFSA-N 1 2 400.486 3.581 50 0 HHAALO CCn1cc[nH+]c1CN(C)Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012314514 558378037 /nfs/dbraw/zinc/37/80/37/558378037.db2.gz MWOACBACSYKREP-UHFFFAOYSA-N 1 2 408.550 3.507 50 0 HHAALO Cn1ccnc1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012317557 558380749 /nfs/dbraw/zinc/38/07/49/558380749.db2.gz AMLLWBOSGQTDTP-UHFFFAOYSA-N 1 2 416.953 3.789 50 0 HHAALO Cc1ccc(CNC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004341588 558425292 /nfs/dbraw/zinc/42/52/92/558425292.db2.gz ZRDBEEOFPURCKT-UHFFFAOYSA-N 1 2 407.474 3.672 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C[C@@H]1c1ccccc1 ZINC000020993342 558426184 /nfs/dbraw/zinc/42/61/84/558426184.db2.gz MDQVBAFVRVKUED-HXUWFJFHSA-N 1 2 413.424 3.661 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C[C@@H]1c1ccccc1 ZINC000020993342 558426186 /nfs/dbraw/zinc/42/61/86/558426186.db2.gz MDQVBAFVRVKUED-HXUWFJFHSA-N 1 2 413.424 3.661 50 0 HHAALO Cn1cc(C[N@H+](C)Cc2nc(-c3ccccc3)no2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020998880 558428004 /nfs/dbraw/zinc/42/80/04/558428004.db2.gz OXHCEUJQKHYEME-UHFFFAOYSA-N 1 2 417.469 3.540 50 0 HHAALO Cn1cc(C[N@@H+](C)Cc2nc(-c3ccccc3)no2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020998880 558428008 /nfs/dbraw/zinc/42/80/08/558428008.db2.gz OXHCEUJQKHYEME-UHFFFAOYSA-N 1 2 417.469 3.540 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+]2CCN(C(C)=O)CC2)cc1F ZINC000020999649 558428282 /nfs/dbraw/zinc/42/82/82/558428282.db2.gz PLKHVIOJNDQHTR-UHFFFAOYSA-N 1 2 422.504 3.660 50 0 HHAALO COc1ccccc1[C@H](NC(=O)CCCOc1ccc(C(C)=O)cc1)c1[nH+]ccn1C ZINC000012627350 558440379 /nfs/dbraw/zinc/44/03/79/558440379.db2.gz MBHWIVWPLYVDRH-QHCPKHFHSA-N 1 2 421.497 3.696 50 0 HHAALO COc1ccc([C@@H](NC(=O)c2cc(C)nc3c2cnn3C(C)C)c2[nH+]ccn2C)cc1 ZINC000010809100 558457091 /nfs/dbraw/zinc/45/70/91/558457091.db2.gz RPDPQIKQTCLYSU-HXUWFJFHSA-N 1 2 418.501 3.582 50 0 HHAALO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022184490 558465406 /nfs/dbraw/zinc/46/54/06/558465406.db2.gz UGIGIGYLSFLGDV-BTYIYWSLSA-N 1 2 421.522 3.868 50 0 HHAALO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022184490 558465409 /nfs/dbraw/zinc/46/54/09/558465409.db2.gz UGIGIGYLSFLGDV-BTYIYWSLSA-N 1 2 421.522 3.868 50 0 HHAALO Cc1cc(NC(=O)CN2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)no1 ZINC000022843114 558516356 /nfs/dbraw/zinc/51/63/56/558516356.db2.gz AKKDCXBZTYQQEV-UHFFFAOYSA-N 1 2 404.923 3.607 50 0 HHAALO O=C(CN1CC[NH+](Cc2cccnc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022921961 558522537 /nfs/dbraw/zinc/52/25/37/558522537.db2.gz ISFSZTWTVWBJIX-UHFFFAOYSA-N 1 2 412.843 3.510 50 0 HHAALO CC[NH+](CC)CCSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000013154235 558524318 /nfs/dbraw/zinc/52/43/18/558524318.db2.gz ZEKPMDPHCNBZHX-UHFFFAOYSA-N 1 2 409.555 3.963 50 0 HHAALO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000023466452 558558930 /nfs/dbraw/zinc/55/89/30/558558930.db2.gz YBYNFPQNFVZXRM-XMMPIXPASA-N 1 2 416.525 3.982 50 0 HHAALO CSc1ncc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)n1-c1ccccc1 ZINC000023873331 558579369 /nfs/dbraw/zinc/57/93/69/558579369.db2.gz UKULAMFQGZGFEK-UHFFFAOYSA-N 1 2 406.555 3.861 50 0 HHAALO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000024379734 558596525 /nfs/dbraw/zinc/59/65/25/558596525.db2.gz PJEOFAWBFCVSMP-UHFFFAOYSA-N 1 2 407.514 3.508 50 0 HHAALO C[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)NC1CCCC1 ZINC000004500412 558612781 /nfs/dbraw/zinc/61/27/81/558612781.db2.gz NDMDWXXFVSWENK-UONOGXRCSA-N 1 2 405.543 3.568 50 0 HHAALO O=C1c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1CCC[NH+]1CCOCC1 ZINC000024925990 558620723 /nfs/dbraw/zinc/62/07/23/558620723.db2.gz IWQUUEIHIUFCTC-FQEVSTJZSA-N 1 2 419.447 3.994 50 0 HHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000014181826 558628511 /nfs/dbraw/zinc/62/85/11/558628511.db2.gz IPFJCHKCLLUARO-KRWDZBQOSA-N 1 2 401.557 3.969 50 0 HHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000014181826 558628514 /nfs/dbraw/zinc/62/85/14/558628514.db2.gz IPFJCHKCLLUARO-KRWDZBQOSA-N 1 2 401.557 3.969 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)c(C)c1 ZINC000025247409 558635798 /nfs/dbraw/zinc/63/57/98/558635798.db2.gz VJOAAINXFHITCB-UHFFFAOYSA-N 1 2 410.539 3.669 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(C)c4C)CC3)C2=O)cc1Cl ZINC000025777260 558649509 /nfs/dbraw/zinc/64/95/09/558649509.db2.gz IMNDVYRFNIOZRP-NRFANRHFSA-N 1 2 411.933 3.719 50 0 HHAALO COC(=O)[C@@H](c1ccccc1Cl)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000026162005 558656588 /nfs/dbraw/zinc/65/65/88/558656588.db2.gz JDVMAGOTLCRUMH-LJQANCHMSA-N 1 2 402.926 3.598 50 0 HHAALO CC(C)[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000026282564 558658286 /nfs/dbraw/zinc/65/82/86/558658286.db2.gz MXZXTIJCMBLZER-HSZRJFAPSA-N 1 2 408.546 3.786 50 0 HHAALO C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026284017 558658345 /nfs/dbraw/zinc/65/83/45/558658345.db2.gz HHOZHXCDYSSOJV-MRXNPFEDSA-N 1 2 414.937 3.803 50 0 HHAALO CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000026302500 558658594 /nfs/dbraw/zinc/65/85/94/558658594.db2.gz MXWIKZXZNNWYSF-UHFFFAOYSA-N 1 2 408.424 3.922 50 0 HHAALO O[C@H](C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000026900168 558666437 /nfs/dbraw/zinc/66/64/37/558666437.db2.gz OAWABQDOZLLGIG-MRXNPFEDSA-N 1 2 403.807 3.749 50 0 HHAALO COC(=O)c1c(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)nc2ccccc2c1-c1ccccc1 ZINC000027566992 558675025 /nfs/dbraw/zinc/67/50/25/558675025.db2.gz FUHOXFOOQCWTDD-NRFANRHFSA-N 1 2 417.509 3.741 50 0 HHAALO COC(=O)c1c(C[N@H+]2CCC[C@H]2C(=O)N(C)C)nc2ccccc2c1-c1ccccc1 ZINC000027566992 558675029 /nfs/dbraw/zinc/67/50/29/558675029.db2.gz FUHOXFOOQCWTDD-NRFANRHFSA-N 1 2 417.509 3.741 50 0 HHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000028075244 558690883 /nfs/dbraw/zinc/69/08/83/558690883.db2.gz CGSULVHIPZTFQV-KRWDZBQOSA-N 1 2 417.303 3.823 50 0 HHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000028075244 558690886 /nfs/dbraw/zinc/69/08/86/558690886.db2.gz CGSULVHIPZTFQV-KRWDZBQOSA-N 1 2 417.303 3.823 50 0 HHAALO Cc1nc2ccccc2nc1S[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028191032 558692040 /nfs/dbraw/zinc/69/20/40/558692040.db2.gz RWENYRWGTJEMEG-GOSISDBHSA-N 1 2 406.555 3.763 50 0 HHAALO Cc1nc(C[N@@H+](C)Cc2ccc(OCCN(C)C(=O)c3ccncc3)cc2)cs1 ZINC000015067207 558710144 /nfs/dbraw/zinc/71/01/44/558710144.db2.gz LUWIAERJCBECQC-UHFFFAOYSA-N 1 2 410.543 3.630 50 0 HHAALO Cc1nc(C[N@H+](C)Cc2ccc(OCCN(C)C(=O)c3ccncc3)cc2)cs1 ZINC000015067207 558710147 /nfs/dbraw/zinc/71/01/47/558710147.db2.gz LUWIAERJCBECQC-UHFFFAOYSA-N 1 2 410.543 3.630 50 0 HHAALO Cc1ccc(-n2nc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c3c2CCC3)cc1 ZINC000029785764 558721054 /nfs/dbraw/zinc/72/10/54/558721054.db2.gz KVMRBQPKEJWTCX-QHCPKHFHSA-N 1 2 400.526 3.798 50 0 HHAALO Cc1ccc(-n2nc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c3c2CCC3)cc1 ZINC000029785764 558721058 /nfs/dbraw/zinc/72/10/58/558721058.db2.gz KVMRBQPKEJWTCX-QHCPKHFHSA-N 1 2 400.526 3.798 50 0 HHAALO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000029927038 558724036 /nfs/dbraw/zinc/72/40/36/558724036.db2.gz GOOPQJFVMCMCOY-ZDUSSCGKSA-N 1 2 400.350 3.949 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CCSc3ccc(C)cc3)CC2)c1 ZINC000030108912 558726994 /nfs/dbraw/zinc/72/69/94/558726994.db2.gz CILKQIJYGJJAKY-UHFFFAOYSA-N 1 2 414.571 3.839 50 0 HHAALO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218169 558728143 /nfs/dbraw/zinc/72/81/43/558728143.db2.gz KFGUFEOZVMKNRD-UHFFFAOYSA-N 1 2 411.889 3.605 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000034852549 558784997 /nfs/dbraw/zinc/78/49/97/558784997.db2.gz TZBILVOQHGHFCA-INIZCTEOSA-N 1 2 417.937 3.855 50 0 HHAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)c1ccccc1Cl ZINC000034887546 558786946 /nfs/dbraw/zinc/78/69/46/558786946.db2.gz ZKXJXHNEWHGDSY-AWEZNQCLSA-N 1 2 411.980 3.524 50 0 HHAALO C[C@@H](Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)c1ccccc1Cl ZINC000034887547 558786955 /nfs/dbraw/zinc/78/69/55/558786955.db2.gz ZKXJXHNEWHGDSY-CQSZACIVSA-N 1 2 411.980 3.524 50 0 HHAALO O=C(c1oc2ccccc2c1COc1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987883 558807752 /nfs/dbraw/zinc/80/77/52/558807752.db2.gz YNWIWVIPVDMNPX-FQEVSTJZSA-N 1 2 420.509 3.949 50 0 HHAALO CCc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cc(C)ccc3n2)cc1 ZINC000017082725 558814911 /nfs/dbraw/zinc/81/49/11/558814911.db2.gz RXIGLQHKJKKOCX-UHFFFAOYSA-N 1 2 403.526 3.835 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 ZINC000017116241 558822955 /nfs/dbraw/zinc/82/29/55/558822955.db2.gz VZGDXPJGXCDBPT-IBGZPJMESA-N 1 2 411.546 3.552 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000018209950 558833565 /nfs/dbraw/zinc/83/35/65/558833565.db2.gz KOBSNTCMQVRZQT-IAGOWNOFSA-N 1 2 418.423 3.560 50 0 HHAALO CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000004597481 558833890 /nfs/dbraw/zinc/83/38/90/558833890.db2.gz QGKDJGDFJLQEEJ-FQEVSTJZSA-N 1 2 408.889 3.837 50 0 HHAALO Nc1nc(CN2CC[NH+](/C=C/c3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000050063367 558851905 /nfs/dbraw/zinc/85/19/05/558851905.db2.gz PXUVUZDAIBOJRP-ZHACJKMWSA-N 1 2 421.936 3.639 50 0 HHAALO O=C(Cc1ccccc1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106725 558874475 /nfs/dbraw/zinc/87/44/75/558874475.db2.gz XBHKOMKDTXDPTG-UHFFFAOYSA-N 1 2 410.521 3.976 50 0 HHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1COc2ccccc2O1 ZINC000055255010 558877583 /nfs/dbraw/zinc/87/75/83/558877583.db2.gz OTXNYMAEFXHVEH-MRXNPFEDSA-N 1 2 419.403 3.951 50 0 HHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1COc2ccccc2O1 ZINC000055255010 558877584 /nfs/dbraw/zinc/87/75/84/558877584.db2.gz OTXNYMAEFXHVEH-MRXNPFEDSA-N 1 2 419.403 3.951 50 0 HHAALO C[NH+]1CCN(C(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCCC3)CC1 ZINC000057255112 558887960 /nfs/dbraw/zinc/88/79/60/558887960.db2.gz XJNIDQPLVHZTEN-UHFFFAOYSA-N 1 2 415.534 3.796 50 0 HHAALO Cn1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000071422161 558897952 /nfs/dbraw/zinc/89/79/52/558897952.db2.gz XRTQTIUFCDBMOB-NRFANRHFSA-N 1 2 402.498 3.621 50 0 HHAALO Cn1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000071422161 558897954 /nfs/dbraw/zinc/89/79/54/558897954.db2.gz XRTQTIUFCDBMOB-NRFANRHFSA-N 1 2 402.498 3.621 50 0 HHAALO COc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000058137764 558901197 /nfs/dbraw/zinc/90/11/97/558901197.db2.gz GQWNOZWZTCUMSQ-OAHLLOKOSA-N 1 2 407.436 3.863 50 0 HHAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000058138615 558901308 /nfs/dbraw/zinc/90/13/08/558901308.db2.gz OIMLIYIGZRQLHN-GOSISDBHSA-N 1 2 418.501 3.614 50 0 HHAALO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000058138615 558901311 /nfs/dbraw/zinc/90/13/11/558901311.db2.gz OIMLIYIGZRQLHN-GOSISDBHSA-N 1 2 418.501 3.614 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000058172436 558908286 /nfs/dbraw/zinc/90/82/86/558908286.db2.gz LCACBVBVMZQNDU-UHFFFAOYSA-N 1 2 408.546 3.533 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178111 558909837 /nfs/dbraw/zinc/90/98/37/558909837.db2.gz QPFXJIUNTDIXLG-QUCCMNQESA-N 1 2 403.320 3.976 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178111 558909839 /nfs/dbraw/zinc/90/98/39/558909839.db2.gz QPFXJIUNTDIXLG-QUCCMNQESA-N 1 2 403.320 3.976 50 0 HHAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000019559845 558921171 /nfs/dbraw/zinc/92/11/71/558921171.db2.gz FPIHAFVWUBSXMY-UHFFFAOYSA-N 1 2 408.420 3.681 50 0 HHAALO Cc1ccc2c(C(=O)N3CC[C@@H](n4cc[nH+]c4)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063856093 558959596 /nfs/dbraw/zinc/95/95/96/558959596.db2.gz CTHQEAPYHGMICY-GOSISDBHSA-N 1 2 400.486 3.536 50 0 HHAALO CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000072441734 558981998 /nfs/dbraw/zinc/98/19/98/558981998.db2.gz OGZLWPZPHBTLSP-UHFFFAOYSA-N 1 2 412.563 3.543 50 0 HHAALO CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000072441734 558982002 /nfs/dbraw/zinc/98/20/02/558982002.db2.gz OGZLWPZPHBTLSP-UHFFFAOYSA-N 1 2 412.563 3.543 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(C)CC2)cc1OC ZINC000023157079 559022030 /nfs/dbraw/zinc/02/20/30/559022030.db2.gz HXWVBTCEGUYRKE-QGZVFWFLSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(C)CC2)cc1OC ZINC000023157081 559022033 /nfs/dbraw/zinc/02/20/33/559022033.db2.gz HXWVBTCEGUYRKE-KRWDZBQOSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000023157327 559022289 /nfs/dbraw/zinc/02/22/89/559022289.db2.gz GLLWHEFHFZTHRP-LJQANCHMSA-N 1 2 406.511 3.961 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000023157327 559022291 /nfs/dbraw/zinc/02/22/91/559022291.db2.gz GLLWHEFHFZTHRP-LJQANCHMSA-N 1 2 406.511 3.961 50 0 HHAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(N(C)C)[nH+]1 ZINC000033318451 559055900 /nfs/dbraw/zinc/05/59/00/559055900.db2.gz QZAAQSBLTSADCR-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO COc1cc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000011419133 559074258 /nfs/dbraw/zinc/07/42/58/559074258.db2.gz XPXMXJBIUXYRSS-IZZDOVSWSA-N 1 2 402.454 3.660 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247871408 559178314 /nfs/dbraw/zinc/17/83/14/559178314.db2.gz ZWAWMFMLFCFDMR-ODAXIHTASA-N 1 2 424.456 3.528 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247871408 559178316 /nfs/dbraw/zinc/17/83/16/559178316.db2.gz ZWAWMFMLFCFDMR-ODAXIHTASA-N 1 2 424.456 3.528 50 0 HHAALO O=C(COc1ccc(C(=O)c2ccccc2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736035 559179652 /nfs/dbraw/zinc/17/96/52/559179652.db2.gz AHOILEIZWXYLQV-UHFFFAOYSA-N 1 2 420.534 3.702 50 0 HHAALO CC[N@H+](CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1 ZINC000004920833 559206876 /nfs/dbraw/zinc/20/68/76/559206876.db2.gz FILDRLGTFDKORF-UHFFFAOYSA-N 1 2 423.582 3.972 50 0 HHAALO CC[N@@H+](CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1 ZINC000004920833 559206878 /nfs/dbraw/zinc/20/68/78/559206878.db2.gz FILDRLGTFDKORF-UHFFFAOYSA-N 1 2 423.582 3.972 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000061879510 560562049 /nfs/dbraw/zinc/56/20/49/560562049.db2.gz MWOJVAXYVJUMMB-HOYKHHGWSA-N 1 2 405.542 3.594 50 0 HHAALO Cc1ccc2nc(-c3ccc(N4C(=[NH2+])S[C@H]5CS(=O)(=O)C[C@@H]54)cc3)sc2c1 ZINC000005488709 560597812 /nfs/dbraw/zinc/59/78/12/560597812.db2.gz ZNMWSWKDSXGIKF-RDJZCZTQSA-N 1 2 415.565 3.925 50 0 aggregator HHAALO Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018214121 560784804 /nfs/dbraw/zinc/78/48/04/560784804.db2.gz MHPAJKHDDPTDHC-UHFFFAOYSA-N 1 2 407.539 3.881 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103514536 560842826 /nfs/dbraw/zinc/84/28/26/560842826.db2.gz RRVQBSIBMVQEEV-RBBKRZOGSA-N 1 2 415.424 3.617 50 0 HHAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096317138 560848767 /nfs/dbraw/zinc/84/87/67/560848767.db2.gz TZALVUKNAAKZHN-UHFFFAOYSA-N 1 2 410.537 3.951 50 0 HHAALO CC[C@@H](C)c1nc(N2CCN(C(=O)COC)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316968 560848772 /nfs/dbraw/zinc/84/87/72/560848772.db2.gz QPCDJXHURDZKSP-GOSISDBHSA-N 1 2 424.589 3.801 50 0 HHAALO O=C(Nc1cc2ccccc2cc1C(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000024579563 560860234 /nfs/dbraw/zinc/86/02/34/560860234.db2.gz ZKABPKKYWBPGQN-UHFFFAOYSA-N 1 2 414.509 3.541 50 0 HHAALO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 ZINC000106086820 560884643 /nfs/dbraw/zinc/88/46/43/560884643.db2.gz FLVIPEYGDVMYIU-YKCBXCCJSA-N 1 2 414.937 3.515 50 0 HHAALO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907418 568415794 /nfs/dbraw/zinc/41/57/94/568415794.db2.gz JAFYZNSRADEOET-JOCHJYFZSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907418 568415795 /nfs/dbraw/zinc/41/57/95/568415795.db2.gz JAFYZNSRADEOET-JOCHJYFZSA-N 1 2 417.509 3.751 50 0 HHAALO COc1ccc(Nc2ccccc2C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000048235069 568432719 /nfs/dbraw/zinc/43/27/19/568432719.db2.gz PWRCLDGEPQHUSO-UHFFFAOYSA-N 1 2 418.497 3.600 50 0 HHAALO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000048237629 568433097 /nfs/dbraw/zinc/43/30/97/568433097.db2.gz XYKCERFIMBLJMH-UHFFFAOYSA-N 1 2 401.467 3.723 50 0 HHAALO COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc[nH+]c2N(C)C)cn1 ZINC000048239285 568433201 /nfs/dbraw/zinc/43/32/01/568433201.db2.gz PHARRQZOESBSHJ-UHFFFAOYSA-N 1 2 407.474 3.974 50 0 HHAALO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000048253379 568434440 /nfs/dbraw/zinc/43/44/40/568434440.db2.gz MSPOSQWPYLFGBX-LJQANCHMSA-N 1 2 418.588 3.992 50 0 HHAALO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3c3ccsc3)nc2c1 ZINC000048253379 568434441 /nfs/dbraw/zinc/43/44/41/568434441.db2.gz MSPOSQWPYLFGBX-LJQANCHMSA-N 1 2 418.588 3.992 50 0 HHAALO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000049403204 568448216 /nfs/dbraw/zinc/44/82/16/568448216.db2.gz FYYZJRYSRLTIIS-UHFFFAOYSA-N 1 2 406.486 3.872 50 0 HHAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)N[C@@H](C)c4ccc(F)cc4)CC3)n2)n1 ZINC000049411611 568450181 /nfs/dbraw/zinc/45/01/81/568450181.db2.gz SZAZJDTTXFMPJL-KRWDZBQOSA-N 1 2 422.508 3.512 50 0 HHAALO Cc1ccccc1OCC[N@@H+](C)CN1C(=O)N[C@@](CC(C)C)(c2ccccc2)C1=O ZINC000049574676 568452180 /nfs/dbraw/zinc/45/21/80/568452180.db2.gz MHEKDYYUPLWHAI-DEOSSOPVSA-N 1 2 409.530 3.757 50 0 HHAALO Cc1ccccc1OCC[N@H+](C)CN1C(=O)N[C@@](CC(C)C)(c2ccccc2)C1=O ZINC000049574676 568452182 /nfs/dbraw/zinc/45/21/82/568452182.db2.gz MHEKDYYUPLWHAI-DEOSSOPVSA-N 1 2 409.530 3.757 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2CCc1ccccc1)Nc1ccc(F)cc1 ZINC000000646851 568457276 /nfs/dbraw/zinc/45/72/76/568457276.db2.gz LMJSZHXSAXETKX-UHFFFAOYSA-N 1 2 407.474 3.939 50 0 HHAALO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000022767193 568499216 /nfs/dbraw/zinc/49/92/16/568499216.db2.gz IGWNKJOMADODTR-FQEVSTJZSA-N 1 2 413.543 3.611 50 0 HHAALO O=Cc1cccc(OCC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000020366419 568601350 /nfs/dbraw/zinc/60/13/50/568601350.db2.gz QIHMJALPTCADOZ-UHFFFAOYSA-N 1 2 413.827 3.767 50 0 HHAALO CCc1ncc2c(n1)C[N@@H+](Cc1ccc(OCc3c(C)noc3C)c(OC)c1)CC2 ZINC000095430516 568608992 /nfs/dbraw/zinc/60/89/92/568608992.db2.gz JYLHCELZHVNPEV-UHFFFAOYSA-N 1 2 408.502 3.790 50 0 HHAALO CCc1ncc2c(n1)C[N@H+](Cc1ccc(OCc3c(C)noc3C)c(OC)c1)CC2 ZINC000095430516 568608993 /nfs/dbraw/zinc/60/89/93/568608993.db2.gz JYLHCELZHVNPEV-UHFFFAOYSA-N 1 2 408.502 3.790 50 0 HHAALO O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000095432828 568609372 /nfs/dbraw/zinc/60/93/72/568609372.db2.gz YXYVVNUOVRERMV-OAHLLOKOSA-N 1 2 406.313 3.874 50 0 HHAALO Cc1cc(N2CCN(C(=O)COc3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000040144525 568624672 /nfs/dbraw/zinc/62/46/72/568624672.db2.gz CWRCOHZPYLRSOI-UHFFFAOYSA-N 1 2 422.451 3.655 50 0 HHAALO CC(C)(C)CC(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000020614442 568637668 /nfs/dbraw/zinc/63/76/68/568637668.db2.gz ZDFWYKDCEILIDM-OAQYLSRUSA-N 1 2 423.557 3.831 50 0 HHAALO CC(C)NC(=O)Nc1cccc(C(=O)N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]2C)c1 ZINC000225610323 568656835 /nfs/dbraw/zinc/65/68/35/568656835.db2.gz RTERGCHLUIHUQF-KRWDZBQOSA-N 1 2 412.509 3.702 50 0 HHAALO CC(C)NC(=O)Nc1cccc(C(=O)N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]2C)c1 ZINC000225610323 568656836 /nfs/dbraw/zinc/65/68/36/568656836.db2.gz RTERGCHLUIHUQF-KRWDZBQOSA-N 1 2 412.509 3.702 50 0 HHAALO Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(c4[nH]c5ccccc5[nH+]4)C3)C[C@@H]2C)c1 ZINC000021159241 568674247 /nfs/dbraw/zinc/67/42/47/568674247.db2.gz AWMFUDAQVSLFDF-PMACEKPBSA-N 1 2 417.557 3.825 50 0 HHAALO O=C(Nc1nccs1)[C@@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124059 568700517 /nfs/dbraw/zinc/70/05/17/568700517.db2.gz HTWKLBHNTNLVQQ-MRXNPFEDSA-N 1 2 404.499 3.732 50 0 HHAALO Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCCCCc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000096230999 568706963 /nfs/dbraw/zinc/70/69/63/568706963.db2.gz WZDNNYWCCFZPQV-IBGZPJMESA-N 1 2 420.561 3.715 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000229981412 568716211 /nfs/dbraw/zinc/71/62/11/568716211.db2.gz HSNVOWSBKITEMX-TZIWHRDSSA-N 1 2 406.448 3.994 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000229981412 568716213 /nfs/dbraw/zinc/71/62/13/568716213.db2.gz HSNVOWSBKITEMX-TZIWHRDSSA-N 1 2 406.448 3.994 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000021583775 568719805 /nfs/dbraw/zinc/71/98/05/568719805.db2.gz VOGAPGUYYIJKQE-HNNXBMFYSA-N 1 2 418.950 3.675 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000021583775 568719807 /nfs/dbraw/zinc/71/98/07/568719807.db2.gz VOGAPGUYYIJKQE-HNNXBMFYSA-N 1 2 418.950 3.675 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000096316867 568726069 /nfs/dbraw/zinc/72/60/69/568726069.db2.gz JEJJNYMNTRCPNF-UHFFFAOYSA-N 1 2 408.546 3.566 50 0 HHAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)NC(C)C)CC2)c1 ZINC000096317249 568726295 /nfs/dbraw/zinc/72/62/95/568726295.db2.gz OZUSNOVTHZLFKV-UHFFFAOYSA-N 1 2 407.562 3.802 50 0 HHAALO O=C(N[C@H](NCC[NH+]1CCCCC1)C(Cl)(Cl)Cl)[C@H]1C[C@H]1c1ccccc1 ZINC000096346154 568737628 /nfs/dbraw/zinc/73/76/28/568737628.db2.gz NGJOOEHAMYQXBM-BQFCYCMXSA-N 1 2 418.796 3.678 50 0 HHAALO COc1ccccc1C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)[nH+]2)CC1 ZINC000021793919 568753199 /nfs/dbraw/zinc/75/31/99/568753199.db2.gz FSJNAUONVILEBQ-UHFFFAOYSA-N 1 2 417.513 3.808 50 0 HHAALO CCN(C=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000261490867 568819924 /nfs/dbraw/zinc/81/99/24/568819924.db2.gz LJZKLFZUXCEXDO-FQEVSTJZSA-N 1 2 406.530 3.536 50 0 HHAALO CCN(C=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000261490867 568819926 /nfs/dbraw/zinc/81/99/26/568819926.db2.gz LJZKLFZUXCEXDO-FQEVSTJZSA-N 1 2 406.530 3.536 50 0 HHAALO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945114 568821291 /nfs/dbraw/zinc/82/12/91/568821291.db2.gz PLQUVRXFFXTXCC-QFIPXVFZSA-N 1 2 405.498 3.582 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3ccccc3F)co2)CC1 ZINC000056949980 568822220 /nfs/dbraw/zinc/82/22/20/568822220.db2.gz CSULIGRFPRMYSA-UHFFFAOYSA-N 1 2 424.472 3.689 50 0 HHAALO COc1cccc(N2CC[NH+](CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)c1 ZINC000057281355 568825954 /nfs/dbraw/zinc/82/59/54/568825954.db2.gz LJYJABURQYDKQU-GOSISDBHSA-N 1 2 411.571 3.735 50 0 HHAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(SC(F)F)cc3)CC2)c1 ZINC000057373634 568830123 /nfs/dbraw/zinc/83/01/23/568830123.db2.gz GAAMSWMSZABEAA-UHFFFAOYSA-N 1 2 407.486 3.771 50 0 HHAALO CC(C)(C)c1ccc(OCc2nnc(SCc3cn4ccccc4[nH+]3)n2N)cc1 ZINC000005982357 568834150 /nfs/dbraw/zinc/83/41/50/568834150.db2.gz HWFIHZYOIABRJG-UHFFFAOYSA-N 1 2 408.531 3.808 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000012535624 568845516 /nfs/dbraw/zinc/84/55/16/568845516.db2.gz DBJQWGDSFSGVOM-UHFFFAOYSA-N 1 2 419.525 3.623 50 0 HHAALO C[C@H](NC(=O)Cn1c(=S)[nH]nc1-c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547468 568851458 /nfs/dbraw/zinc/85/14/58/568851458.db2.gz ASIFHYQHWJSVCH-ZDUSSCGKSA-N 1 2 410.528 3.732 50 0 HHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000012548790 568851853 /nfs/dbraw/zinc/85/18/53/568851853.db2.gz DUKSTYFAIDCNAY-SFHVURJKSA-N 1 2 414.509 3.735 50 0 HHAALO Cc1sc2nc(C)nc(N3CC[NH+](CC(=O)Nc4cccc(C)c4C)CC3)c2c1C ZINC000057710678 568858593 /nfs/dbraw/zinc/85/85/93/568858593.db2.gz AOAUJKBARRDARF-UHFFFAOYSA-N 1 2 423.586 3.994 50 0 HHAALO COc1ccc(CCn2nnnc2[C@H](c2ccc(C(C)C)cc2)[NH+](C)C)cc1OC ZINC000057740045 568859326 /nfs/dbraw/zinc/85/93/26/568859326.db2.gz NLKAFDFQRIVOPN-QFIPXVFZSA-N 1 2 409.534 3.707 50 0 HHAALO Cc1c(Cl)cn2c(=O)cc(C[NH+]3CCN(c4ccccc4)CC3)nc2c1Cl ZINC000057911462 568867735 /nfs/dbraw/zinc/86/77/35/568867735.db2.gz GFYXGKDVJJHMTA-UHFFFAOYSA-N 1 2 403.313 3.632 50 0 HHAALO C[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012604205 568870703 /nfs/dbraw/zinc/87/07/03/568870703.db2.gz LAHLGKMZFGPRID-KUHUBIRLSA-N 1 2 411.893 3.503 50 0 HHAALO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc(Br)c1OC ZINC000058023067 568878145 /nfs/dbraw/zinc/87/81/45/568878145.db2.gz ZDHGIITVZIXKGZ-UHFFFAOYSA-N 1 2 409.299 3.928 50 0 HHAALO CCOC(=O)c1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000058096469 568885526 /nfs/dbraw/zinc/88/55/26/568885526.db2.gz BIQDOMIEUVRGBS-UHFFFAOYSA-N 1 2 401.507 3.865 50 0 HHAALO CCOC(=O)c1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000058096469 568885529 /nfs/dbraw/zinc/88/55/29/568885529.db2.gz BIQDOMIEUVRGBS-UHFFFAOYSA-N 1 2 401.507 3.865 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000001346685 568915208 /nfs/dbraw/zinc/91/52/08/568915208.db2.gz RCWBHARGZOJHPA-UHFFFAOYSA-N 1 2 423.929 3.920 50 0 HHAALO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012756336 568943054 /nfs/dbraw/zinc/94/30/54/568943054.db2.gz HHTZYNZWPWXPEP-SFHVURJKSA-N 1 2 422.525 3.997 50 0 HHAALO O=C(c1ccccc1)c1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000012779761 568956716 /nfs/dbraw/zinc/95/67/16/568956716.db2.gz NSFXEXIVTURMAG-UHFFFAOYSA-N 1 2 414.505 3.754 50 0 HHAALO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000015671325 568961849 /nfs/dbraw/zinc/96/18/49/568961849.db2.gz LQSWOBXNLRRMDE-UHFFFAOYSA-N 1 2 411.531 3.958 50 0 HHAALO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000007980184 568963439 /nfs/dbraw/zinc/96/34/39/568963439.db2.gz JEXGMLLKONADOO-KRWDZBQOSA-N 1 2 420.966 3.785 50 0 HHAALO COc1ccccc1CNC(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007985736 568964543 /nfs/dbraw/zinc/96/45/43/568964543.db2.gz CITYBOQAXHXEJN-UHFFFAOYSA-N 1 2 400.482 3.973 50 0 HHAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000008006033 568967881 /nfs/dbraw/zinc/96/78/81/568967881.db2.gz JSMQUCRWOJHLKH-CQSZACIVSA-N 1 2 401.894 3.544 50 0 HHAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000008006033 568967882 /nfs/dbraw/zinc/96/78/82/568967882.db2.gz JSMQUCRWOJHLKH-CQSZACIVSA-N 1 2 401.894 3.544 50 0 HHAALO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008075465 568972330 /nfs/dbraw/zinc/97/23/30/568972330.db2.gz WGXFTGIOPFGWLB-IBGZPJMESA-N 1 2 406.935 3.691 50 0 HHAALO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@H]1CCCc2ccccc21 ZINC000008075465 568972331 /nfs/dbraw/zinc/97/23/31/568972331.db2.gz WGXFTGIOPFGWLB-IBGZPJMESA-N 1 2 406.935 3.691 50 0 HHAALO Cc1noc(C)c1COc1cccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000008173121 568979847 /nfs/dbraw/zinc/97/98/47/568979847.db2.gz YSELFMUQYHJJDL-UHFFFAOYSA-N 1 2 404.470 3.959 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3ccc(SC)cc3)C[C@H]2CCO)cc1C ZINC000104459126 569008598 /nfs/dbraw/zinc/00/85/98/569008598.db2.gz IDSPXTPRHQLSJC-OAQYLSRUSA-N 1 2 400.588 3.794 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(SC)cc3)C[C@H]2CCO)cc1C ZINC000104459126 569008599 /nfs/dbraw/zinc/00/85/99/569008599.db2.gz IDSPXTPRHQLSJC-OAQYLSRUSA-N 1 2 400.588 3.794 50 0 HHAALO Cc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1 ZINC000104469133 569008851 /nfs/dbraw/zinc/00/88/51/569008851.db2.gz PZCSKNDBULZYLA-HSZRJFAPSA-N 1 2 408.521 3.593 50 0 HHAALO Cc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1 ZINC000104469133 569008852 /nfs/dbraw/zinc/00/88/52/569008852.db2.gz PZCSKNDBULZYLA-HSZRJFAPSA-N 1 2 408.521 3.593 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Br ZINC000012879870 569014742 /nfs/dbraw/zinc/01/47/42/569014742.db2.gz LOKJMAANJKGOID-HNNXBMFYSA-N 1 2 416.319 3.738 50 0 HHAALO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Br ZINC000012879870 569014743 /nfs/dbraw/zinc/01/47/43/569014743.db2.gz LOKJMAANJKGOID-HNNXBMFYSA-N 1 2 416.319 3.738 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012930314 569024602 /nfs/dbraw/zinc/02/46/02/569024602.db2.gz RYSVKDNUWCHQRG-OAHLLOKOSA-N 1 2 419.932 3.850 50 0 HHAALO CCOc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404337 569035694 /nfs/dbraw/zinc/03/56/94/569035694.db2.gz NHBAVWMSWFUEDR-UHFFFAOYSA-N 1 2 416.525 3.677 50 0 HHAALO CCOc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404337 569035695 /nfs/dbraw/zinc/03/56/95/569035695.db2.gz NHBAVWMSWFUEDR-UHFFFAOYSA-N 1 2 416.525 3.677 50 0 HHAALO Cc1cccn2cc(-c3ccc(NC(=O)CCS(=O)(=O)C4CCCC4)cc3)[nH+]c12 ZINC000053837803 569041673 /nfs/dbraw/zinc/04/16/73/569041673.db2.gz XLYDMCSRVWEUSU-UHFFFAOYSA-N 1 2 411.527 3.996 50 0 HHAALO O=C(C1c2ccccc2Oc2ccccc21)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609117 569042375 /nfs/dbraw/zinc/04/23/75/569042375.db2.gz VACNKWGWFBERHT-GOSISDBHSA-N 1 2 424.566 3.591 50 0 HHAALO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422472 569048242 /nfs/dbraw/zinc/04/82/42/569048242.db2.gz NAXDKBHEKKRNJL-AWEZNQCLSA-N 1 2 410.415 3.779 50 0 HHAALO C[C@@H](C(=O)Nc1ccccc1F)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422472 569048243 /nfs/dbraw/zinc/04/82/43/569048243.db2.gz NAXDKBHEKKRNJL-AWEZNQCLSA-N 1 2 410.415 3.779 50 0 HHAALO Cc1ccc(C(C)C)c(OCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000013010163 569049995 /nfs/dbraw/zinc/04/99/95/569049995.db2.gz JWYCPBYHPIHEAL-UHFFFAOYSA-N 1 2 423.557 3.717 50 0 HHAALO Cc1ccc(CN2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385583 569052252 /nfs/dbraw/zinc/05/22/52/569052252.db2.gz MEZUOHRSBTYQEF-HSZRJFAPSA-N 1 2 418.541 3.646 50 0 HHAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385583 569052253 /nfs/dbraw/zinc/05/22/53/569052253.db2.gz MEZUOHRSBTYQEF-HSZRJFAPSA-N 1 2 418.541 3.646 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)C(C)C)cc1 ZINC000035800775 569060414 /nfs/dbraw/zinc/06/04/14/569060414.db2.gz TWTKKSRJHFCKJH-OAQYLSRUSA-N 1 2 412.530 3.584 50 0 HHAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CNC(=O)C(C)C)cc1 ZINC000035800775 569060415 /nfs/dbraw/zinc/06/04/15/569060415.db2.gz TWTKKSRJHFCKJH-OAQYLSRUSA-N 1 2 412.530 3.584 50 0 HHAALO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000006541464 569064761 /nfs/dbraw/zinc/06/47/61/569064761.db2.gz BAWREIHLGHZRQT-OAHLLOKOSA-N 1 2 402.438 3.804 50 0 HHAALO Cc1ccc(C)c(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)c1 ZINC000064611384 569071429 /nfs/dbraw/zinc/07/14/29/569071429.db2.gz OOPSNSFIBRVFBW-RUZDIDTESA-N 1 2 419.569 3.532 50 0 HHAALO Cc1ccc(C)c(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCCC2)c1 ZINC000064611384 569071430 /nfs/dbraw/zinc/07/14/30/569071430.db2.gz OOPSNSFIBRVFBW-RUZDIDTESA-N 1 2 419.569 3.532 50 0 HHAALO CCc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)cc1 ZINC000035982421 569073332 /nfs/dbraw/zinc/07/33/32/569073332.db2.gz RLDOGCQWNKXLQD-FXAWDEMLSA-N 1 2 402.498 3.665 50 0 HHAALO CCc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)cc1 ZINC000035982424 569073392 /nfs/dbraw/zinc/07/33/92/569073392.db2.gz RLDOGCQWNKXLQD-XLIONFOSSA-N 1 2 402.498 3.665 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC[C@H]3CCCCO3)csc2C1 ZINC000426547593 569073394 /nfs/dbraw/zinc/07/33/94/569073394.db2.gz ICDWMGBOMDJJQA-MRXNPFEDSA-N 1 2 403.548 3.600 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC[C@H]3CCCCO3)csc2C1 ZINC000426547593 569073395 /nfs/dbraw/zinc/07/33/95/569073395.db2.gz ICDWMGBOMDJJQA-MRXNPFEDSA-N 1 2 403.548 3.600 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)C[C@@H]3CCCCO3)csc2C1 ZINC000426550356 569073427 /nfs/dbraw/zinc/07/34/27/569073427.db2.gz DYJZXTMSYATBRF-INIZCTEOSA-N 1 2 403.548 3.552 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)C[C@@H]3CCCCO3)csc2C1 ZINC000426550356 569073428 /nfs/dbraw/zinc/07/34/28/569073428.db2.gz DYJZXTMSYATBRF-INIZCTEOSA-N 1 2 403.548 3.552 50 0 HHAALO Cc1cc(C)n(CCc2[nH+]c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3n2C)n1 ZINC000006665376 569086122 /nfs/dbraw/zinc/08/61/22/569086122.db2.gz LXHLALKOWMNNIA-UHFFFAOYSA-N 1 2 423.542 3.739 50 0 HHAALO CCCN(C)c1nc(SCc2cccc(C(=O)NCCOC)c2)[nH+]c(C)c1C ZINC000006694929 569091479 /nfs/dbraw/zinc/09/14/79/569091479.db2.gz JTKZBLIVTSXZEJ-UHFFFAOYSA-N 1 2 402.564 3.608 50 0 HHAALO COCCCNc1nc2ccccc2c2nc(CCn3c(C)[nH+]c4ccccc43)nn21 ZINC000006733001 569103734 /nfs/dbraw/zinc/10/37/34/569103734.db2.gz PETKQLYQKFOOOA-UHFFFAOYSA-N 1 2 415.501 3.627 50 0 HHAALO Cc1cccc(CNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000036255294 569120303 /nfs/dbraw/zinc/12/03/03/569120303.db2.gz YYCLISAKQKRVKJ-QHCPKHFHSA-N 1 2 411.590 3.504 50 0 HHAALO CC[C@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310562 569131757 /nfs/dbraw/zinc/13/17/57/569131757.db2.gz HVCKVPVXVSGICV-UWJYYQICSA-N 1 2 418.557 3.696 50 0 HHAALO CC(C)c1nc2ccc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)cc2o1 ZINC000064968392 569137936 /nfs/dbraw/zinc/13/79/36/569137936.db2.gz OQPFFYGCCALZFR-UHFFFAOYSA-N 1 2 410.493 3.642 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCc3ccccc3)co1)CC2 ZINC000036369851 569153799 /nfs/dbraw/zinc/15/37/99/569153799.db2.gz AQDQADFQYRCSTK-UHFFFAOYSA-N 1 2 407.466 3.794 50 0 biogenic HHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCc3ccccc3)co1)CC2 ZINC000036369851 569153800 /nfs/dbraw/zinc/15/38/00/569153800.db2.gz AQDQADFQYRCSTK-UHFFFAOYSA-N 1 2 407.466 3.794 50 0 biogenic HHAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)CC3 ZINC000065034976 569158635 /nfs/dbraw/zinc/15/86/35/569158635.db2.gz DDLFHYNJEWIDFS-UHFFFAOYSA-N 1 2 419.525 3.965 50 0 HHAALO COc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)CC3 ZINC000065034976 569158636 /nfs/dbraw/zinc/15/86/36/569158636.db2.gz DDLFHYNJEWIDFS-UHFFFAOYSA-N 1 2 419.525 3.965 50 0 HHAALO C[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050238 569211829 /nfs/dbraw/zinc/21/18/29/569211829.db2.gz AVKRIMIRESYTBD-CYBMUJFWSA-N 1 2 411.405 3.810 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)nc[nH+]1 ZINC000065274073 569214882 /nfs/dbraw/zinc/21/48/82/569214882.db2.gz KFIISQQJZYGCGZ-UHFFFAOYSA-N 1 2 401.942 3.875 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)[nH+]cn1 ZINC000065274073 569214883 /nfs/dbraw/zinc/21/48/83/569214883.db2.gz KFIISQQJZYGCGZ-UHFFFAOYSA-N 1 2 401.942 3.875 50 0 HHAALO O=S(=O)(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000036700374 569222819 /nfs/dbraw/zinc/22/28/19/569222819.db2.gz CCIYRCFZMRTXIS-XMMPIXPASA-N 1 2 424.566 3.972 50 0 HHAALO O=S(=O)(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000036700374 569222820 /nfs/dbraw/zinc/22/28/20/569222820.db2.gz CCIYRCFZMRTXIS-XMMPIXPASA-N 1 2 424.566 3.972 50 0 HHAALO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000065479695 569231711 /nfs/dbraw/zinc/23/17/11/569231711.db2.gz FWOHRAYFIDPTGC-GXDHUFHOSA-N 1 2 418.541 3.918 50 0 HHAALO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccccc2N2CCCCC2)C(=O)N1c1ccccc1 ZINC000014215305 569259031 /nfs/dbraw/zinc/25/90/31/569259031.db2.gz DLDXEILCRBJTHF-IBGZPJMESA-N 1 2 406.530 3.924 50 0 HHAALO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccccc2N2CCCCC2)C(=O)N1c1ccccc1 ZINC000014215305 569259032 /nfs/dbraw/zinc/25/90/32/569259032.db2.gz DLDXEILCRBJTHF-IBGZPJMESA-N 1 2 406.530 3.924 50 0 HHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccnn1C1CCCC1 ZINC000007684239 569300689 /nfs/dbraw/zinc/30/06/89/569300689.db2.gz DUFVMSSHLMOMTN-LJQANCHMSA-N 1 2 410.518 3.935 50 0 HHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccnn1C1CCCC1 ZINC000007684239 569300690 /nfs/dbraw/zinc/30/06/90/569300690.db2.gz DUFVMSSHLMOMTN-LJQANCHMSA-N 1 2 410.518 3.935 50 0 HHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000007741329 569306046 /nfs/dbraw/zinc/30/60/46/569306046.db2.gz DYLMHOYLQWAFFL-HXUWFJFHSA-N 1 2 411.502 3.806 50 0 HHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC(=O)Nc2ccc(C)cc2C)c(OC)c1 ZINC000007741329 569306048 /nfs/dbraw/zinc/30/60/48/569306048.db2.gz DYLMHOYLQWAFFL-HXUWFJFHSA-N 1 2 411.502 3.806 50 0 HHAALO Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)C=C2C[NH+]1CCN(c2ccccc2)CC1 ZINC000253495970 569381762 /nfs/dbraw/zinc/38/17/62/569381762.db2.gz YCCOXSLRYWFLAX-UHFFFAOYSA-N 1 2 401.510 3.522 50 0 HHAALO Cc1ccccc1N1CC[NH+](CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)CC1 ZINC000013061321 569408285 /nfs/dbraw/zinc/40/82/85/569408285.db2.gz RRGQNQSUTSKJEI-UHFFFAOYSA-N 1 2 423.948 3.810 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000328593664 569415563 /nfs/dbraw/zinc/41/55/63/569415563.db2.gz VLFMTLXKNRPSGJ-UHFFFAOYSA-N 1 2 416.469 3.541 50 0 HHAALO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000079052609 569425719 /nfs/dbraw/zinc/42/57/19/569425719.db2.gz JEPLMBYSUXCSFT-UHFFFAOYSA-N 1 2 406.527 3.611 50 0 HHAALO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000019703420 569428760 /nfs/dbraw/zinc/42/87/60/569428760.db2.gz QUOFYKCPXAMPTK-FQEVSTJZSA-N 1 2 417.417 3.766 50 0 biogenic HHAALO COCCn1cc(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)c2ccccc2c1=O ZINC000079473867 569431325 /nfs/dbraw/zinc/43/13/25/569431325.db2.gz FYODFENDQUNDSS-UHFFFAOYSA-N 1 2 404.470 3.900 50 0 HHAALO CN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)c1ccccc1 ZINC000008708084 571104228 /nfs/dbraw/zinc/10/42/28/571104228.db2.gz LYJBETWZBQDVTN-UHFFFAOYSA-N 1 2 407.543 3.618 50 0 HHAALO Cc1ccc2[nH+]c(COC(=O)COc3ccc(C(=O)c4ccccc4)cc3)cn2c1 ZINC000008718930 571106089 /nfs/dbraw/zinc/10/60/89/571106089.db2.gz QSEVXZIROCJSMA-UHFFFAOYSA-N 1 2 400.434 3.996 50 0 HHAALO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777801 571118207 /nfs/dbraw/zinc/11/82/07/571118207.db2.gz FVGURTNJRHWURG-SCLBCKFNSA-N 1 2 418.400 3.689 50 0 HHAALO Cc1noc(CSc2ccccc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)n1 ZINC000040050889 571144560 /nfs/dbraw/zinc/14/45/60/571144560.db2.gz AGXQMHACCHZQRY-UHFFFAOYSA-N 1 2 419.510 3.845 50 0 HHAALO FC(F)(F)c1ccc(N2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)CC2)nc1 ZINC000040118765 571175016 /nfs/dbraw/zinc/17/50/16/571175016.db2.gz HLBLMAQDOBAZEK-UHFFFAOYSA-N 1 2 417.435 3.787 50 0 HHAALO FC(F)(F)c1ccc(N2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)CC2)nc1 ZINC000040118765 571175019 /nfs/dbraw/zinc/17/50/19/571175019.db2.gz HLBLMAQDOBAZEK-UHFFFAOYSA-N 1 2 417.435 3.787 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000040149538 571196983 /nfs/dbraw/zinc/19/69/83/571196983.db2.gz KEEPJKZBABXXLO-QHCPKHFHSA-N 1 2 419.481 3.612 50 0 HHAALO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1Cl ZINC000008984578 571205711 /nfs/dbraw/zinc/20/57/11/571205711.db2.gz VLYROOHMQWZAIS-HXUWFJFHSA-N 1 2 423.966 3.660 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000244970295 571211248 /nfs/dbraw/zinc/21/12/48/571211248.db2.gz HRUDEWVRUCFPJZ-HNNXBMFYSA-N 1 2 415.342 3.872 50 0 HHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1OC ZINC000010141651 571295572 /nfs/dbraw/zinc/29/55/72/571295572.db2.gz ZKBVFSOEWVBQBI-UHFFFAOYSA-N 1 2 420.893 3.589 50 0 HHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1OC ZINC000010141651 571295573 /nfs/dbraw/zinc/29/55/73/571295573.db2.gz ZKBVFSOEWVBQBI-UHFFFAOYSA-N 1 2 420.893 3.589 50 0 HHAALO O=C(C[NH+]1CC(c2nc(-c3ccsc3)no2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000077099602 571311016 /nfs/dbraw/zinc/31/10/16/571311016.db2.gz YARIIHRMDGQTNU-UHFFFAOYSA-N 1 2 408.405 3.855 50 0 HHAALO NC(=O)c1c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)sc2c1CCCC2 ZINC000007880032 961361338 /nfs/dbraw/zinc/36/13/38/961361338.db2.gz NGTCZJRRHJPPRF-IBGZPJMESA-N 1 2 415.584 3.735 50 0 HHAALO NC(=O)c1c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C2CC2)sc2c1CCCC2 ZINC000007880032 961361354 /nfs/dbraw/zinc/36/13/54/961361354.db2.gz NGTCZJRRHJPPRF-IBGZPJMESA-N 1 2 415.584 3.735 50 0 HHAALO Cc1c(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1C ZINC000015074333 962650313 /nfs/dbraw/zinc/65/03/13/962650313.db2.gz YSJRSZFBYVEBFZ-OAQYLSRUSA-N 1 2 405.502 3.909 50 0 HHAALO Cc1c(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1C ZINC000015074333 962650319 /nfs/dbraw/zinc/65/03/19/962650319.db2.gz YSJRSZFBYVEBFZ-OAQYLSRUSA-N 1 2 405.502 3.909 50 0 HHAALO CN(Cc1nc2ccccc2s1)C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022777767 963713590 /nfs/dbraw/zinc/71/35/90/963713590.db2.gz URLAPVPEFRHCJK-JXMROGBWSA-N 1 2 420.582 3.586 50 0 HHAALO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cc(C)n[nH]1)CC2 ZINC000067847077 968784319 /nfs/dbraw/zinc/78/43/19/968784319.db2.gz OUCARQKGXGUVOY-UHFFFAOYSA-N 1 2 404.514 3.856 50 0 HHAALO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cc(C)n[nH]1)CC2 ZINC000067847077 968784330 /nfs/dbraw/zinc/78/43/30/968784330.db2.gz OUCARQKGXGUVOY-UHFFFAOYSA-N 1 2 404.514 3.856 50 0 HHAALO O=C(c1cc(F)ccc1Cl)N1C[C@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257176434 970617883 /nfs/dbraw/zinc/61/78/83/970617883.db2.gz STZIJTZYSHZOKT-OAHLLOKOSA-N 1 2 404.869 3.822 50 0 HHAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000002309957 132252178 /nfs/dbraw/zinc/25/21/78/132252178.db2.gz RRBLWLOIEOFJJY-SFHVURJKSA-N 1 2 422.287 3.587 50 0 HHAALO O=C(c1ccc2c(c1)NC(=O)c1ccccc1S2)N1CCN(c2cccc[nH+]2)CC1 ZINC000003033341 132261849 /nfs/dbraw/zinc/26/18/49/132261849.db2.gz CFIAHGLXERODNC-UHFFFAOYSA-N 1 2 416.506 3.761 50 0 HHAALO O=C(c1cccnc1-c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000005321619 132304832 /nfs/dbraw/zinc/30/48/32/132304832.db2.gz BQZUVSZUFTXETI-UHFFFAOYSA-N 1 2 401.495 3.716 50 0 HHAALO O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008395791 132329993 /nfs/dbraw/zinc/32/99/93/132329993.db2.gz PYEAWHANQPPMGV-UHFFFAOYSA-N 1 2 409.493 3.897 50 0 HHAALO CC[NH+](CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008974269 132334343 /nfs/dbraw/zinc/33/43/43/132334343.db2.gz HSXWKJXLERPSNB-CAPFRKAQSA-N 1 2 406.486 3.810 50 0 HHAALO CC[NH+](CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000009111612 132335915 /nfs/dbraw/zinc/33/59/15/132335915.db2.gz QSFRRHNSEUKOLK-HMMYKYKNSA-N 1 2 422.485 3.510 50 0 HHAALO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220647 519820042 /nfs/dbraw/zinc/82/00/42/519820042.db2.gz RKUILFZFDCSCLP-NRFANRHFSA-N 1 2 424.932 3.656 50 0 HHAALO C[N@H+](CC(=O)Nc1cccc2nsnc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911844 522516195 /nfs/dbraw/zinc/51/61/95/522516195.db2.gz LQPZRDYWHRRSER-MAUKXSAKSA-N 1 2 423.325 3.527 50 0 HHAALO C[N@@H+](CC(=O)Nc1cccc2nsnc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911844 522516202 /nfs/dbraw/zinc/51/62/02/522516202.db2.gz LQPZRDYWHRRSER-MAUKXSAKSA-N 1 2 423.325 3.527 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCN(c2ccccn2)CC1 ZINC000032797156 524253129 /nfs/dbraw/zinc/25/31/29/524253129.db2.gz KYKABVOUOLSTDF-ZDUSSCGKSA-N 1 2 412.843 3.903 50 0 HHAALO COc1ccccc1[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1[nH+]ccn1C ZINC000032905117 524798174 /nfs/dbraw/zinc/79/81/74/524798174.db2.gz WVFXMDQVFHWPMJ-FQEVSTJZSA-N 1 2 421.888 3.992 50 0 HHAALO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000032665060 524952551 /nfs/dbraw/zinc/95/25/51/524952551.db2.gz JHWCVNBKSPZWKP-INIZCTEOSA-N 1 2 406.357 3.988 50 0 HHAALO C[C@H](NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000032665060 524952556 /nfs/dbraw/zinc/95/25/56/524952556.db2.gz JHWCVNBKSPZWKP-INIZCTEOSA-N 1 2 406.357 3.988 50 0 HHAALO Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1-c1ccccc1 ZINC000032970942 526379665 /nfs/dbraw/zinc/37/96/65/526379665.db2.gz YTLQCYYPZCYMBT-MRXNPFEDSA-N 1 2 418.526 3.731 50 0 HHAALO O=C(CCNC(=O)c1cccs1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894923 526509112 /nfs/dbraw/zinc/50/91/12/526509112.db2.gz CEZDTCRCZCUXFX-INIZCTEOSA-N 1 2 423.941 3.614 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCc1coc(-c2cccs2)n1)c1cccc(F)c1 ZINC000032802409 527463809 /nfs/dbraw/zinc/46/38/09/527463809.db2.gz YSZUMOSAPLOJEV-QGZVFWFLSA-N 1 2 411.462 3.865 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000008583004 537071844 /nfs/dbraw/zinc/07/18/44/537071844.db2.gz APXCQRPFLPSHGZ-UHFFFAOYSA-N 1 2 420.904 3.804 50 0 HHAALO COc1ccccc1C(=O)N1CCc2[nH+]c(N3CCCCC3)nc(N(C)C(C)C)c2C1 ZINC000034678700 557366904 /nfs/dbraw/zinc/36/69/04/557366904.db2.gz QKLHKJAOMASPJP-UHFFFAOYSA-N 1 2 423.561 3.519 50 0 HHAALO CC1CCN(c2nc(N3CCC(C)CC3)c3c([nH+]2)CCN(C(=O)c2ccco2)C3)CC1 ZINC000034679077 557367535 /nfs/dbraw/zinc/36/75/35/557367535.db2.gz OHSANZQRONVNGM-UHFFFAOYSA-N 1 2 423.561 3.741 50 0 HHAALO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc(I)cc3)c2cc1C ZINC000002872963 557415712 /nfs/dbraw/zinc/41/57/12/557415712.db2.gz IRTFBEOXIAOMAK-OAHLLOKOSA-N 1 2 422.266 3.698 50 0 HHAALO c1csc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755670 557458097 /nfs/dbraw/zinc/45/80/97/557458097.db2.gz MJZXACVBUVHRHC-UHFFFAOYSA-N 1 2 408.527 3.725 50 0 HHAALO c1csc(C[N@H+]2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755670 557458100 /nfs/dbraw/zinc/45/81/00/557458100.db2.gz MJZXACVBUVHRHC-UHFFFAOYSA-N 1 2 408.527 3.725 50 0 HHAALO O=S(=O)(Cc1ccccc1)NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022767552 557815203 /nfs/dbraw/zinc/81/52/03/557815203.db2.gz PONJFLVOMYJPEA-JOCHJYFZSA-N 1 2 412.580 3.967 50 0 HHAALO O=S(=O)(Cc1ccccc1)NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022767552 557815205 /nfs/dbraw/zinc/81/52/05/557815205.db2.gz PONJFLVOMYJPEA-JOCHJYFZSA-N 1 2 412.580 3.967 50 0 HHAALO O=C(CN1CC[NH+](CCOc2ccccc2Cl)CC1)Nc1ccccc1Cl ZINC000022782936 557819638 /nfs/dbraw/zinc/81/96/38/557819638.db2.gz PPAINWWFWXBYMD-UHFFFAOYSA-N 1 2 408.329 3.629 50 0 HHAALO O=C(c1cccc(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)c1)N1CCCC1 ZINC000019741012 558261770 /nfs/dbraw/zinc/26/17/70/558261770.db2.gz DCTVZHGRWPFMFJ-UHFFFAOYSA-N 1 2 404.514 3.842 50 0 HHAALO CCOC(=O)c1c(NC(=O)CC[NH+]2CCOCC2)sc(C)c1-c1ccccc1 ZINC000019910757 558306325 /nfs/dbraw/zinc/30/63/25/558306325.db2.gz CGEQTVNVVCVKDH-UHFFFAOYSA-N 1 2 402.516 3.561 50 0 HHAALO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000019922443 558307404 /nfs/dbraw/zinc/30/74/04/558307404.db2.gz DZWXFJLWJABUHC-UHFFFAOYSA-N 1 2 424.353 3.952 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020166562 558342984 /nfs/dbraw/zinc/34/29/84/558342984.db2.gz IGLVHPCDDMUATD-FQEVSTJZSA-N 1 2 410.587 3.824 50 0 HHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020166562 558342987 /nfs/dbraw/zinc/34/29/87/558342987.db2.gz IGLVHPCDDMUATD-FQEVSTJZSA-N 1 2 410.587 3.824 50 0 HHAALO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020406368 558360212 /nfs/dbraw/zinc/36/02/12/558360212.db2.gz YOMZQNGQEUTCJA-SFHVURJKSA-N 1 2 424.541 3.825 50 0 HHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cccc(C)c3n2)cc1C ZINC000020418364 558361405 /nfs/dbraw/zinc/36/14/05/558361405.db2.gz AAVXNEBAIVGOKI-UHFFFAOYSA-N 1 2 403.526 3.889 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020439650 558363588 /nfs/dbraw/zinc/36/35/88/558363588.db2.gz IDFNNJUZUWUVHU-UEQSERJNSA-N 1 2 408.457 3.944 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020439650 558363590 /nfs/dbraw/zinc/36/35/90/558363590.db2.gz IDFNNJUZUWUVHU-UEQSERJNSA-N 1 2 408.457 3.944 50 0 HHAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2c2nccn2C)cc(OC)c1OC ZINC000012317726 558381184 /nfs/dbraw/zinc/38/11/84/558381184.db2.gz JGSGHOOJNRUFRF-QGZVFWFLSA-N 1 2 411.506 3.563 50 0 HHAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2c2nccn2C)cc(OC)c1OC ZINC000012317726 558381187 /nfs/dbraw/zinc/38/11/87/558381187.db2.gz JGSGHOOJNRUFRF-QGZVFWFLSA-N 1 2 411.506 3.563 50 0 HHAALO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4c(s3)n(C)nc4C(F)(F)F)CC2)c1 ZINC000020616159 558392987 /nfs/dbraw/zinc/39/29/87/558392987.db2.gz VBJKJSDYMSTGIE-UHFFFAOYSA-N 1 2 422.476 3.920 50 0 HHAALO O=C(c1cccs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000020918231 558423122 /nfs/dbraw/zinc/42/31/22/558423122.db2.gz RDSJVAWKXBGPEV-LJQANCHMSA-N 1 2 400.544 3.512 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)cc1 ZINC000021639596 558444266 /nfs/dbraw/zinc/44/42/66/558444266.db2.gz CRPNLJIDHKVCKY-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)cc1 ZINC000021639596 558444268 /nfs/dbraw/zinc/44/42/68/558444268.db2.gz CRPNLJIDHKVCKY-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000022018943 558458337 /nfs/dbraw/zinc/45/83/37/558458337.db2.gz KCOMSSIOGGUAGX-LJQANCHMSA-N 1 2 400.519 3.598 50 0 HHAALO c1ccc(CN(CC[NH+](Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)nc1 ZINC000022034251 558459204 /nfs/dbraw/zinc/45/92/04/558459204.db2.gz CVRXLMUYFMERMJ-UHFFFAOYSA-N 1 2 424.552 3.971 50 0 in-vitro HHAALO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccccc1Cl ZINC000022118204 558463747 /nfs/dbraw/zinc/46/37/47/558463747.db2.gz OUBVVHMXOBEPFG-IBGZPJMESA-N 1 2 408.889 3.728 50 0 HHAALO Cc1cc(N2CCN(CC(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012791094 558465651 /nfs/dbraw/zinc/46/56/51/558465651.db2.gz AVMAWZGNUFSEAF-UHFFFAOYSA-N 1 2 401.942 3.631 50 0 HHAALO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000022242937 558471892 /nfs/dbraw/zinc/47/18/92/558471892.db2.gz BETXVIUZLZMLOJ-SANMLTNESA-N 1 2 416.565 3.954 50 0 HHAALO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012984500 558494887 /nfs/dbraw/zinc/49/48/87/558494887.db2.gz XBQOAWOFPFXAON-NSHDSACASA-N 1 2 405.848 3.676 50 0 HHAALO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012984500 558494889 /nfs/dbraw/zinc/49/48/89/558494889.db2.gz XBQOAWOFPFXAON-NSHDSACASA-N 1 2 405.848 3.676 50 0 HHAALO CC(=O)N1CCc2cc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)ccc21 ZINC000022749921 558507320 /nfs/dbraw/zinc/50/73/20/558507320.db2.gz KYMMFIJPAJXFMA-HXUWFJFHSA-N 1 2 408.889 3.502 50 0 HHAALO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)no1 ZINC000022799449 558512742 /nfs/dbraw/zinc/51/27/42/558512742.db2.gz KELHNUNKKFBTDL-IBGZPJMESA-N 1 2 404.514 3.795 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4ccc(OC)cc4nc3C)CC2)cc1 ZINC000022989463 558529195 /nfs/dbraw/zinc/52/91/95/558529195.db2.gz KXMMHTFWJBZVJK-UHFFFAOYSA-N 1 2 405.498 3.518 50 0 HHAALO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccc(F)c1 ZINC000023055295 558532277 /nfs/dbraw/zinc/53/22/77/558532277.db2.gz XXFVXXWQPMFPHA-KRWDZBQOSA-N 1 2 409.383 3.564 50 0 HHAALO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1cccc(F)c1 ZINC000023055295 558532280 /nfs/dbraw/zinc/53/22/80/558532280.db2.gz XXFVXXWQPMFPHA-KRWDZBQOSA-N 1 2 409.383 3.564 50 0 HHAALO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1C(F)(F)F ZINC000023078442 558533572 /nfs/dbraw/zinc/53/35/72/558533572.db2.gz DGXNXXCHAXKCMI-UHFFFAOYSA-N 1 2 405.420 3.668 50 0 HHAALO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1C(F)(F)F ZINC000023078442 558533574 /nfs/dbraw/zinc/53/35/74/558533574.db2.gz DGXNXXCHAXKCMI-UHFFFAOYSA-N 1 2 405.420 3.668 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)c2ccccc2Br)[NH+]2CCOCC2)cc1 ZINC000023105855 558534361 /nfs/dbraw/zinc/53/43/61/558534361.db2.gz ZZAJXZKFDLBDTN-LJQANCHMSA-N 1 2 403.320 3.561 50 0 HHAALO Cc1cc(C)c(CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023129635 558536857 /nfs/dbraw/zinc/53/68/57/558536857.db2.gz LTVYVQZJRFFSKI-NRFANRHFSA-N 1 2 410.587 3.619 50 0 HHAALO Cc1cc(C)c(CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023129635 558536861 /nfs/dbraw/zinc/53/68/61/558536861.db2.gz LTVYVQZJRFFSKI-NRFANRHFSA-N 1 2 410.587 3.619 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023257788 558546637 /nfs/dbraw/zinc/54/66/37/558546637.db2.gz DVUMSLVAGUFFSX-OAHLLOKOSA-N 1 2 407.967 3.863 50 0 HHAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2ccc(F)cc2)C[N@@H+]1C ZINC000013626163 558551203 /nfs/dbraw/zinc/55/12/03/558551203.db2.gz FNXTVAHVEYQKHE-QATBIIFWSA-N 1 2 420.440 3.803 50 0 HHAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@@H](c2ccc(F)cc2)C[N@H+]1C ZINC000013626163 558551205 /nfs/dbraw/zinc/55/12/05/558551205.db2.gz FNXTVAHVEYQKHE-QATBIIFWSA-N 1 2 420.440 3.803 50 0 HHAALO O=C1c2ccccc2[C@H](NCCC[NH+]2CCOCC2)N1[C@@H]1CCCc2ccccc21 ZINC000023504879 558560267 /nfs/dbraw/zinc/56/02/67/558560267.db2.gz ZCEQVZRJMTYIAP-DNQXCXABSA-N 1 2 405.542 3.531 50 0 HHAALO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCN(C(=O)c4ccco4)CC3)n2c1 ZINC000023956008 558582454 /nfs/dbraw/zinc/58/24/54/558582454.db2.gz HLWDGCJGBQKXKB-UHFFFAOYSA-N 1 2 400.482 3.861 50 0 HHAALO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024301133 558594540 /nfs/dbraw/zinc/59/45/40/558594540.db2.gz LMNCRUHIFSNVPP-UHFFFAOYSA-N 1 2 403.482 3.543 50 0 HHAALO O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024378856 558596602 /nfs/dbraw/zinc/59/66/02/558596602.db2.gz WAWSXCHRMLYUFO-UHFFFAOYSA-N 1 2 404.963 3.971 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000014129419 558623945 /nfs/dbraw/zinc/62/39/45/558623945.db2.gz MNNKYMPQPCVPNM-SJORKVTESA-N 1 2 407.543 3.946 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCCC3)C2=O)c1 ZINC000014185893 558631054 /nfs/dbraw/zinc/63/10/54/558631054.db2.gz DBLIKZLYHYFBHD-LJQANCHMSA-N 1 2 415.534 3.833 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCCC3)C2=O)c1 ZINC000014185893 558631055 /nfs/dbraw/zinc/63/10/55/558631055.db2.gz DBLIKZLYHYFBHD-LJQANCHMSA-N 1 2 415.534 3.833 50 0 HHAALO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025765530 558649432 /nfs/dbraw/zinc/64/94/32/558649432.db2.gz HCZMETRIVIPHKD-RUZDIDTESA-N 1 2 417.509 3.525 50 0 HHAALO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025765530 558649435 /nfs/dbraw/zinc/64/94/35/558649435.db2.gz HCZMETRIVIPHKD-RUZDIDTESA-N 1 2 417.509 3.525 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000026462653 558661435 /nfs/dbraw/zinc/66/14/35/558661435.db2.gz INLVODOCOLAXKP-OAHLLOKOSA-N 1 2 423.325 3.666 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000026462653 558661439 /nfs/dbraw/zinc/66/14/39/558661439.db2.gz INLVODOCOLAXKP-OAHLLOKOSA-N 1 2 423.325 3.666 50 0 HHAALO Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028191033 558691941 /nfs/dbraw/zinc/69/19/41/558691941.db2.gz RWENYRWGTJEMEG-SFHVURJKSA-N 1 2 406.555 3.763 50 0 HHAALO COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)[NH+](C)C ZINC000028289066 558696036 /nfs/dbraw/zinc/69/60/36/558696036.db2.gz TUOMBIUYKRGLOV-QGZVFWFLSA-N 1 2 414.889 3.796 50 0 HHAALO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028292054 558697865 /nfs/dbraw/zinc/69/78/65/558697865.db2.gz KBSZJKJEIMMYIU-HSZRJFAPSA-N 1 2 410.558 3.861 50 0 HHAALO Cc1cnccc1C[N@@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000015064885 558707838 /nfs/dbraw/zinc/70/78/38/558707838.db2.gz VSMQPFGIPWGJHK-UHFFFAOYSA-N 1 2 413.525 3.942 50 0 HHAALO Cc1cnccc1C[N@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000015064885 558707841 /nfs/dbraw/zinc/70/78/41/558707841.db2.gz VSMQPFGIPWGJHK-UHFFFAOYSA-N 1 2 413.525 3.942 50 0 HHAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 ZINC000028955308 558707911 /nfs/dbraw/zinc/70/79/11/558707911.db2.gz ICYLVOJHXWBWTD-UHFFFAOYSA-N 1 2 407.489 3.957 50 0 HHAALO O=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000029657465 558718440 /nfs/dbraw/zinc/71/84/40/558718440.db2.gz OAJNIMDHIKBADU-UHFFFAOYSA-N 1 2 407.436 3.537 50 0 HHAALO Cc1cccn2c(C[NH+]3CCSCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015080177 558718714 /nfs/dbraw/zinc/71/87/14/558718714.db2.gz WYQDEZOINAGBAL-UHFFFAOYSA-N 1 2 408.571 3.506 50 0 HHAALO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000029926728 558724045 /nfs/dbraw/zinc/72/40/45/558724045.db2.gz WDPNTHRTLXNROW-CYBMUJFWSA-N 1 2 400.350 3.949 50 0 HHAALO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000030219759 558728100 /nfs/dbraw/zinc/72/81/00/558728100.db2.gz FFJIPQXDRIHSAM-CQSZACIVSA-N 1 2 421.444 3.584 50 0 HHAALO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000030219759 558728102 /nfs/dbraw/zinc/72/81/02/558728102.db2.gz FFJIPQXDRIHSAM-CQSZACIVSA-N 1 2 421.444 3.584 50 0 HHAALO COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000015525501 558742350 /nfs/dbraw/zinc/74/23/50/558742350.db2.gz YDRFQEBWPSIULV-OAQYLSRUSA-N 1 2 411.889 3.733 50 0 HHAALO COc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2Cl)CC1 ZINC000015880881 558760376 /nfs/dbraw/zinc/76/03/76/558760376.db2.gz REWHRFDFDYTSRX-UHFFFAOYSA-N 1 2 420.904 3.804 50 0 HHAALO Cc1cccc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)c1 ZINC000004583858 558774141 /nfs/dbraw/zinc/77/41/41/558774141.db2.gz JPFHHDIPKYFIAS-UHFFFAOYSA-N 1 2 404.466 3.524 50 0 HHAALO Cc1cccc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)c1 ZINC000004583858 558774142 /nfs/dbraw/zinc/77/41/42/558774142.db2.gz JPFHHDIPKYFIAS-UHFFFAOYSA-N 1 2 404.466 3.524 50 0 HHAALO O=C(c1cccc2ccccc21)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528453 558811927 /nfs/dbraw/zinc/81/19/27/558811927.db2.gz JUOCKQLDWUOLID-UHFFFAOYSA-N 1 2 401.514 3.583 50 0 HHAALO O=C(c1cccc2ccccc21)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528453 558811929 /nfs/dbraw/zinc/81/19/29/558811929.db2.gz JUOCKQLDWUOLID-UHFFFAOYSA-N 1 2 401.514 3.583 50 0 HHAALO Cc1ccc2[nH+]c(COC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cn2c1 ZINC000011144258 558865814 /nfs/dbraw/zinc/86/58/14/558865814.db2.gz CVXZZQPLMNKMGP-MRXNPFEDSA-N 1 2 401.875 3.842 50 0 HHAALO COc1ccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)c(OC)c1 ZINC000033078127 558867547 /nfs/dbraw/zinc/86/75/47/558867547.db2.gz ZUOPHJHRZYWVJC-UHFFFAOYSA-N 1 2 407.474 3.864 50 0 HHAALO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057291753 558888044 /nfs/dbraw/zinc/88/80/44/558888044.db2.gz HOCLLEVHSTVUCG-INIZCTEOSA-N 1 2 403.448 3.805 50 0 HHAALO Brc1ccc(OCc2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000071260605 558896462 /nfs/dbraw/zinc/89/64/62/558896462.db2.gz VQYVJQIEVZEZIS-UHFFFAOYSA-N 1 2 422.352 3.903 50 0 HHAALO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCN(c3ccccc3O)CC2)o1 ZINC000058160033 558904817 /nfs/dbraw/zinc/90/48/17/558904817.db2.gz HJMSPJXJYUGZDF-UHFFFAOYSA-N 1 2 417.469 3.728 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 ZINC000058160657 558905251 /nfs/dbraw/zinc/90/52/51/558905251.db2.gz MNSYFSYPDJDYMG-KRWDZBQOSA-N 1 2 409.511 3.868 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 ZINC000058160657 558905255 /nfs/dbraw/zinc/90/52/55/558905255.db2.gz MNSYFSYPDJDYMG-KRWDZBQOSA-N 1 2 409.511 3.868 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 ZINC000058160658 558905283 /nfs/dbraw/zinc/90/52/83/558905283.db2.gz MNSYFSYPDJDYMG-QGZVFWFLSA-N 1 2 409.511 3.868 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)NCc1ccc2c(c1)OCO2 ZINC000058160658 558905285 /nfs/dbraw/zinc/90/52/85/558905285.db2.gz MNSYFSYPDJDYMG-QGZVFWFLSA-N 1 2 409.511 3.868 50 0 HHAALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019536915 558913972 /nfs/dbraw/zinc/91/39/72/558913972.db2.gz QZYDLBISJBJRKQ-UHFFFAOYSA-N 1 2 419.319 3.504 50 0 HHAALO COc1cc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000019549828 558914633 /nfs/dbraw/zinc/91/46/33/558914633.db2.gz KYRYDSQGHFUSHM-UHFFFAOYSA-N 1 2 420.509 3.824 50 0 HHAALO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@@H](CO)c1cccc(F)c1 ZINC000058297169 558917274 /nfs/dbraw/zinc/91/72/74/558917274.db2.gz BZZAOVYCCRKIDM-UGKGYDQZSA-N 1 2 416.493 3.897 50 0 HHAALO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@@H](CO)c1cccc(F)c1 ZINC000058297169 558917275 /nfs/dbraw/zinc/91/72/75/558917275.db2.gz BZZAOVYCCRKIDM-UGKGYDQZSA-N 1 2 416.493 3.897 50 0 HHAALO Cc1ccc(S(=O)(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1C(F)(F)F ZINC000058305104 558917996 /nfs/dbraw/zinc/91/79/96/558917996.db2.gz OFTPBMIZPNOMJU-UHFFFAOYSA-N 1 2 415.359 3.593 50 0 HHAALO CCc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)cc1 ZINC000065362400 558973259 /nfs/dbraw/zinc/97/32/59/558973259.db2.gz JFRVAGPYLVYAHY-UHFFFAOYSA-N 1 2 419.533 3.504 50 0 HHAALO COc1cc(-c2ccc(C(F)(F)F)cn2)cc2c1OCCN(Cc1c[nH+]c[nH]1)C2 ZINC000067540966 558987147 /nfs/dbraw/zinc/98/71/47/558987147.db2.gz VRAGOPHQNWVLGT-UHFFFAOYSA-N 1 2 404.392 3.894 50 0 HHAALO COc1cc(-c2ccc(C(F)(F)F)cn2)cc2c1OCCN(Cc1c[nH]c[nH+]1)C2 ZINC000067540966 558987149 /nfs/dbraw/zinc/98/71/49/558987149.db2.gz VRAGOPHQNWVLGT-UHFFFAOYSA-N 1 2 404.392 3.894 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c(OC)c1 ZINC000097032692 558988255 /nfs/dbraw/zinc/98/82/55/558988255.db2.gz IISXQMRVPVYNJH-QGZVFWFLSA-N 1 2 408.502 3.633 50 0 HHAALO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000097080472 558990758 /nfs/dbraw/zinc/99/07/58/558990758.db2.gz SZHZNUWMKYRAPR-JOCHJYFZSA-N 1 2 408.452 3.529 50 0 HHAALO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077353486 559002055 /nfs/dbraw/zinc/00/20/55/559002055.db2.gz FCNZHHMQMKQTBB-UHFFFAOYSA-N 1 2 407.518 3.714 50 0 HHAALO Cc1cc(C)c(C)c(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c1C ZINC000023127794 559016115 /nfs/dbraw/zinc/01/61/15/559016115.db2.gz TWKFIOZNVZGJSU-QFIPXVFZSA-N 1 2 416.587 3.662 50 0 HHAALO Cc1cc(C)c(C)c(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c1C ZINC000023127794 559016116 /nfs/dbraw/zinc/01/61/16/559016116.db2.gz TWKFIOZNVZGJSU-QFIPXVFZSA-N 1 2 416.587 3.662 50 0 HHAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=S)Nc3ccc(F)cc3)CC2)N([C@@H](C)CC)C1=O ZINC000096211056 559101548 /nfs/dbraw/zinc/10/15/48/559101548.db2.gz HZJRUVLRAICOKQ-BXWFABGCSA-N 1 2 420.598 3.960 50 0 HHAALO C[C@H](Sc1[nH+]cnc2c1cnn2C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000011685864 559177118 /nfs/dbraw/zinc/17/71/18/559177118.db2.gz XZUYAGWJFYLTPW-LBPRGKRZSA-N 1 2 402.549 3.666 50 0 HHAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000005592142 560628296 /nfs/dbraw/zinc/62/82/96/560628296.db2.gz WDMFCCOVCBODML-UHFFFAOYSA-N 1 2 410.470 3.808 50 0 HHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000024437665 560811225 /nfs/dbraw/zinc/81/12/25/560811225.db2.gz BFESPNAHZSBRFJ-UHFFFAOYSA-N 1 2 417.509 3.831 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccccc4F)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103530388 560842521 /nfs/dbraw/zinc/84/25/21/560842521.db2.gz DRKRIHLARXGZMC-UNMCSNQZSA-N 1 2 415.424 3.617 50 0 HHAALO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000110914645 560886856 /nfs/dbraw/zinc/88/68/56/560886856.db2.gz GJRCGOWKQQVACS-HXUWFJFHSA-N 1 2 421.394 3.757 50 0 HHAALO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000110914645 560886857 /nfs/dbraw/zinc/88/68/57/560886857.db2.gz GJRCGOWKQQVACS-HXUWFJFHSA-N 1 2 421.394 3.757 50 0 HHAALO O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012225215 560893985 /nfs/dbraw/zinc/89/39/85/560893985.db2.gz QYAVGRSBXBIYCQ-UHFFFAOYSA-N 1 2 409.461 3.566 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000107177442 560895964 /nfs/dbraw/zinc/89/59/64/560895964.db2.gz QRCJOEJTOCDGEJ-ZHRMCQFGSA-N 1 2 419.431 3.736 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000107177442 560895966 /nfs/dbraw/zinc/89/59/66/560895966.db2.gz QRCJOEJTOCDGEJ-ZHRMCQFGSA-N 1 2 419.431 3.736 50 0 HHAALO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907219 568415780 /nfs/dbraw/zinc/41/57/80/568415780.db2.gz YZGZRKOWKXZSLP-OAQYLSRUSA-N 1 2 410.539 3.974 50 0 HHAALO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907219 568415781 /nfs/dbraw/zinc/41/57/81/568415781.db2.gz YZGZRKOWKXZSLP-OAQYLSRUSA-N 1 2 410.539 3.974 50 0 HHAALO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000048235013 568432689 /nfs/dbraw/zinc/43/26/89/568432689.db2.gz MAWAQKCXUPUVBX-LJQANCHMSA-N 1 2 416.566 3.725 50 0 HHAALO O=S(=O)(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000048279263 568435933 /nfs/dbraw/zinc/43/59/33/568435933.db2.gz NKFIRMGBYAKXKG-GOSISDBHSA-N 1 2 400.878 3.734 50 0 HHAALO COc1cccc([C@H](NC(=O)c2cc3ccccc3c(OC)n2)c2[nH+]ccn2C)c1 ZINC000048310425 568436705 /nfs/dbraw/zinc/43/67/05/568436705.db2.gz SXSSUVZXNKOSHJ-FQEVSTJZSA-N 1 2 402.454 3.505 50 0 HHAALO CCn1cnnc1-c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000048302758 568437771 /nfs/dbraw/zinc/43/77/71/568437771.db2.gz NHTQMOKYEFRVAE-HXUWFJFHSA-N 1 2 407.543 3.694 50 0 HHAALO Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N2CCCC[C@H]2CCO)[nH+]c1 ZINC000048366152 568441856 /nfs/dbraw/zinc/44/18/56/568441856.db2.gz CORKVUTUGSOALL-FQEVSTJZSA-N 1 2 422.504 3.749 50 0 HHAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)CC3 ZINC000048988390 568444089 /nfs/dbraw/zinc/44/40/89/568444089.db2.gz WRUYRQXOYMRSJR-UHFFFAOYSA-N 1 2 405.498 3.657 50 0 HHAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)CC3 ZINC000048988390 568444090 /nfs/dbraw/zinc/44/40/90/568444090.db2.gz WRUYRQXOYMRSJR-UHFFFAOYSA-N 1 2 405.498 3.657 50 0 HHAALO COc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000049403331 568448244 /nfs/dbraw/zinc/44/82/44/568448244.db2.gz ONUZNRGBOOSUHS-UHFFFAOYSA-N 1 2 410.449 3.702 50 0 HHAALO CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CC[NH+](CC)CC3)c2c1 ZINC000020381913 568602598 /nfs/dbraw/zinc/60/25/98/568602598.db2.gz YNWQJJOWEFOMPT-UHFFFAOYSA-N 1 2 409.555 3.772 50 0 HHAALO COc1ccc(Br)cc1C[NH2+][C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000095450119 568614018 /nfs/dbraw/zinc/61/40/18/568614018.db2.gz YLVHIHUCYUQFJP-ZDUSSCGKSA-N 1 2 421.299 3.503 50 0 HHAALO CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000095466369 568624214 /nfs/dbraw/zinc/62/42/14/568624214.db2.gz PRERGANPONLQCH-UHFFFAOYSA-N 1 2 404.580 3.707 50 0 HHAALO CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000095466369 568624218 /nfs/dbraw/zinc/62/42/18/568624218.db2.gz PRERGANPONLQCH-UHFFFAOYSA-N 1 2 404.580 3.707 50 0 HHAALO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000225392330 568633817 /nfs/dbraw/zinc/63/38/17/568633817.db2.gz QBRTUYYWYSUWIE-UHFFFAOYSA-N 1 2 412.240 3.904 50 0 HHAALO COc1cc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc(OC)c1OC ZINC000021038934 568659930 /nfs/dbraw/zinc/65/99/30/568659930.db2.gz ZIPGCAMKFODCFU-UHFFFAOYSA-N 1 2 424.476 3.943 50 0 HHAALO COc1cc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc(OC)c1OC ZINC000021038934 568659931 /nfs/dbraw/zinc/65/99/31/568659931.db2.gz ZIPGCAMKFODCFU-UHFFFAOYSA-N 1 2 424.476 3.943 50 0 HHAALO O=C(c1ccc(I)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000096008811 568683392 /nfs/dbraw/zinc/68/33/92/568683392.db2.gz BHVQBIMRVVZGER-UHFFFAOYSA-N 1 2 423.298 3.820 50 0 HHAALO COc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000096316900 568726125 /nfs/dbraw/zinc/72/61/25/568726125.db2.gz YOPWLDSKETZOLM-UHFFFAOYSA-N 1 2 422.573 3.957 50 0 HHAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc(F)cc1 ZINC000096317142 568726340 /nfs/dbraw/zinc/72/63/40/568726340.db2.gz BVSMQOZFOQFOAU-UHFFFAOYSA-N 1 2 408.521 3.705 50 0 HHAALO O=C(N[C@H](NCC[NH+]1CCCCC1)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccccc1 ZINC000096346159 568737623 /nfs/dbraw/zinc/73/76/23/568737623.db2.gz NGJOOEHAMYQXBM-NUJGCVRESA-N 1 2 418.796 3.678 50 0 HHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4cc(C)ccc4O)CC3)no2)cc1 ZINC000021724300 568751032 /nfs/dbraw/zinc/75/10/32/568751032.db2.gz VHBKFLWESYQMMK-UHFFFAOYSA-N 1 2 406.486 3.910 50 0 HHAALO CCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000052537213 568769561 /nfs/dbraw/zinc/76/95/61/568769561.db2.gz XFYHTOFIONALFX-UHFFFAOYSA-N 1 2 421.946 3.712 50 0 HHAALO CCCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1[C@H](CC)[NH+](C)C ZINC000002664410 568799876 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3.656 50 0 HHAALO O=C(c1nc(-c2cccc(F)c2)n2c1CCCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000015679096 568966710 /nfs/dbraw/zinc/96/67/10/568966710.db2.gz CKYWBUJGFKONNT-UHFFFAOYSA-N 1 2 419.504 3.773 50 0 HHAALO Cc1cccc(NC(=O)CN(C)c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1C ZINC000012813619 568987707 /nfs/dbraw/zinc/98/77/07/568987707.db2.gz NQVISIOEDZLCCX-UHFFFAOYSA-N 1 2 404.449 3.646 50 0 HHAALO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000063600313 568991923 /nfs/dbraw/zinc/99/19/23/568991923.db2.gz FAXFNGATYZUYGE-UHFFFAOYSA-N 1 2 413.547 3.845 50 0 HHAALO CC(C)c1nnc(C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)o1 ZINC000090591187 569041430 /nfs/dbraw/zinc/04/14/30/569041430.db2.gz ZJAAOAZVGLOVGC-UHFFFAOYSA-N 1 2 407.312 3.774 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3Br)CC2)cc1 ZINC000016427206 569048301 /nfs/dbraw/zinc/04/83/01/569048301.db2.gz KUPMNVVUJYSWJU-UHFFFAOYSA-N 1 2 423.376 3.654 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3Br)CC2)cc1 ZINC000016427206 569048302 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ZINC000006848382 569153677 /nfs/dbraw/zinc/15/36/77/569153677.db2.gz TWANOIZBXKFABS-AWEZNQCLSA-N 1 2 406.286 3.618 50 0 HHAALO COc1ccc(-c2cc(C(F)(F)F)nc(N3[NH2+]C=C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000006846374 569153691 /nfs/dbraw/zinc/15/36/91/569153691.db2.gz GUUIPTVACNQHIN-AWEZNQCLSA-N 1 2 406.286 3.618 50 0 HHAALO Cc1noc(-c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)s2)c1C ZINC000065031280 569157334 /nfs/dbraw/zinc/15/73/34/569157334.db2.gz DICIMCGPTVFOHE-UHFFFAOYSA-N 1 2 409.577 3.659 50 0 HHAALO O=S(=O)(c1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)o1)N1CCCC1 ZINC000036397729 569171019 /nfs/dbraw/zinc/17/10/19/569171019.db2.gz QBPGPWJLDBBUEA-UHFFFAOYSA-N 1 2 406.529 3.921 50 0 HHAALO O=S(=O)(c1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)o1)N1CCCC1 ZINC000036397729 569171020 /nfs/dbraw/zinc/17/10/20/569171020.db2.gz QBPGPWJLDBBUEA-UHFFFAOYSA-N 1 2 406.529 3.921 50 0 HHAALO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccc(F)c(F)c1 ZINC000065184171 569191208 /nfs/dbraw/zinc/19/12/08/569191208.db2.gz 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CCCOc1c(Cl)cc(C(=O)N2CC[N@H+](Cc3cccnc3)C[C@H]2C)cc1OC ZINC000170597627 569242232 /nfs/dbraw/zinc/24/22/32/569242232.db2.gz QUWLUEXHYPDZCT-MRXNPFEDSA-N 1 2 417.937 3.879 50 0 HHAALO CCCOc1c(Cl)cc(C(=O)N2CC[N@@H+](Cc3cccnc3)C[C@H]2C)cc1OC ZINC000170597627 569242233 /nfs/dbraw/zinc/24/22/33/569242233.db2.gz QUWLUEXHYPDZCT-MRXNPFEDSA-N 1 2 417.937 3.879 50 0 HHAALO CC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 ZINC000170616893 569247676 /nfs/dbraw/zinc/24/76/76/569247676.db2.gz PTQICLHGDRUWCO-SJKOYZFVSA-N 1 2 420.535 3.794 50 0 HHAALO CCOc1cc(CNc2ccc([NH+]3CCCC3)cc2)cc(Cl)c1OCC(N)=O ZINC000013895797 569258219 /nfs/dbraw/zinc/25/82/19/569258219.db2.gz LBYWYNZTTAQNIW-UHFFFAOYSA-N 1 2 403.910 3.815 50 0 HHAALO Cc1[nH+]c(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2n1CCCC2 ZINC000089708961 569262847 /nfs/dbraw/zinc/26/28/47/569262847.db2.gz NJHBYTRTGJUJFH-UHFFFAOYSA-N 1 2 407.845 3.679 50 0 HHAALO CCc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000252020837 569272922 /nfs/dbraw/zinc/27/29/22/569272922.db2.gz YFMMOCVQZBMPGN-TUFLPTIASA-N 1 2 422.912 3.738 50 0 HHAALO CCc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000252020837 569272923 /nfs/dbraw/zinc/27/29/23/569272923.db2.gz YFMMOCVQZBMPGN-TUFLPTIASA-N 1 2 422.912 3.738 50 0 HHAALO O=C(NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)c1cccc(OC(F)F)c1 ZINC000170636123 569278587 /nfs/dbraw/zinc/27/85/87/569278587.db2.gz ZRXPBCIWEYUMTE-UHFFFAOYSA-N 1 2 400.429 3.559 50 0 HHAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000002155349 569290228 /nfs/dbraw/zinc/29/02/28/569290228.db2.gz ZDPACSZTHPKVPO-GOSISDBHSA-N 1 2 424.913 3.970 50 0 biogenic HHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007804922 569311727 /nfs/dbraw/zinc/31/17/27/569311727.db2.gz GEHXJPJVFOLAIG-UHFFFAOYSA-N 1 2 406.486 3.597 50 0 HHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007804922 569311728 /nfs/dbraw/zinc/31/17/28/569311728.db2.gz GEHXJPJVFOLAIG-UHFFFAOYSA-N 1 2 406.486 3.597 50 0 HHAALO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000253419147 569367720 /nfs/dbraw/zinc/36/77/20/569367720.db2.gz JZFSZIXWHHXPHF-FZKQIMNGSA-N 1 2 403.408 3.920 50 0 HHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4cc(Cl)nc(C)n4)CC3)cs2)cc1 ZINC000078724177 569419963 /nfs/dbraw/zinc/41/99/63/569419963.db2.gz HNQSKXMFVMTLQG-UHFFFAOYSA-N 1 2 415.950 3.893 50 0 HHAALO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)=N1 ZINC000079045986 569425207 /nfs/dbraw/zinc/42/52/07/569425207.db2.gz NEWNHSJHWJKNJI-SFHVURJKSA-N 1 2 422.504 3.762 50 0 HHAALO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)=N1 ZINC000079045986 569425208 /nfs/dbraw/zinc/42/52/08/569425208.db2.gz NEWNHSJHWJKNJI-SFHVURJKSA-N 1 2 422.504 3.762 50 0 HHAALO COc1ccc(CNc2c(C(=O)N3CCOCC3)c[nH+]c3ccc(Cl)cc32)cc1 ZINC000067288330 571066228 /nfs/dbraw/zinc/06/62/28/571066228.db2.gz OJMYQJHYFDJWBW-UHFFFAOYSA-N 1 2 411.889 3.981 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCn1ccc2ccccc21)c1cccc(F)c1 ZINC000040071219 571151767 /nfs/dbraw/zinc/15/17/67/571151767.db2.gz DBYYDCRCUPWFEE-NRFANRHFSA-N 1 2 405.477 3.993 50 0 HHAALO O=C(CCOc1ccccc1-c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000040082196 571156331 /nfs/dbraw/zinc/15/63/31/571156331.db2.gz SANCATCBMQGREY-UHFFFAOYSA-N 1 2 401.510 3.862 50 0 HHAALO O=C(NCCCNc1cccc[nH+]1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000040145979 571196017 /nfs/dbraw/zinc/19/60/17/571196017.db2.gz XBYDDFMAAUUGTN-UHFFFAOYSA-N 1 2 404.396 3.910 50 0 HHAALO CC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009517649 571265326 /nfs/dbraw/zinc/26/53/26/571265326.db2.gz AIEBYPNFMNCVPS-UHFFFAOYSA-N 1 2 421.457 3.888 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000010127563 571295295 /nfs/dbraw/zinc/29/52/95/571295295.db2.gz LMSXZBMBBCYBCB-ZDUSSCGKSA-N 1 2 424.419 3.988 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000010127563 571295296 /nfs/dbraw/zinc/29/52/96/571295296.db2.gz LMSXZBMBBCYBCB-ZDUSSCGKSA-N 1 2 424.419 3.988 50 0 HHAALO CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000010313210 571300137 /nfs/dbraw/zinc/30/01/37/571300137.db2.gz ZLVLKRPTRZSIPS-UHFFFAOYSA-N 1 2 406.486 3.743 50 0 HHAALO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375460 963810897 /nfs/dbraw/zinc/81/08/97/963810897.db2.gz HIZUDPWVAHSKOT-HXUWFJFHSA-N 1 2 421.564 3.982 50 0 HHAALO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375460 963810904 /nfs/dbraw/zinc/81/09/04/963810904.db2.gz HIZUDPWVAHSKOT-HXUWFJFHSA-N 1 2 421.564 3.982 50 0 HHAALO Cc1c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cnn1-c1cccc(C)c1 ZINC000096994000 969074706 /nfs/dbraw/zinc/07/47/06/969074706.db2.gz VOTLKUSSNJBWGO-XFFZJAGNSA-N 1 2 400.526 3.960 50 0 HHAALO O=C(c1cc(F)ccc1Cl)N1C[C@@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257176431 970617195 /nfs/dbraw/zinc/61/71/95/970617195.db2.gz STZIJTZYSHZOKT-HNNXBMFYSA-N 1 2 404.869 3.822 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)NC(C)(C)C)CC2)c1Cc1ccccc1F ZINC000006776251 132315634 /nfs/dbraw/zinc/31/56/34/132315634.db2.gz XPKGCEXHDJSBML-UHFFFAOYSA-N 1 2 413.541 3.707 50 0 HHAALO CC[N@H+](CCCNC(=O)CCC(=O)N1CCOc2ccccc21)c1cccc(C)c1 ZINC000006780628 132315950 /nfs/dbraw/zinc/31/59/50/132315950.db2.gz ULFHTEMLWTWGID-UHFFFAOYSA-N 1 2 409.530 3.533 50 0 HHAALO CC[N@@H+](CCCNC(=O)CCC(=O)N1CCOc2ccccc21)c1cccc(C)c1 ZINC000006780628 132315953 /nfs/dbraw/zinc/31/59/53/132315953.db2.gz ULFHTEMLWTWGID-UHFFFAOYSA-N 1 2 409.530 3.533 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2F)CC1 ZINC000007215866 132322835 /nfs/dbraw/zinc/32/28/35/132322835.db2.gz JPKUSBUPJFFHRG-FQEVSTJZSA-N 1 2 424.545 3.921 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2F)CC1 ZINC000007215866 132322836 /nfs/dbraw/zinc/32/28/36/132322836.db2.gz JPKUSBUPJFFHRG-FQEVSTJZSA-N 1 2 424.545 3.921 50 0 HHAALO Cc1cc(C)c(NC(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(Cl)c1 ZINC000012782687 132367232 /nfs/dbraw/zinc/36/72/32/132367232.db2.gz QHBNDHKBKLMJBX-UHFFFAOYSA-N 1 2 415.969 3.939 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012786533 132367266 /nfs/dbraw/zinc/36/72/66/132367266.db2.gz DVQWLMMIWYTBTA-HXUWFJFHSA-N 1 2 409.578 3.525 50 0 HHAALO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000014196559 132460035 /nfs/dbraw/zinc/46/00/35/132460035.db2.gz FIYNIHKKGWTIAU-XMMPIXPASA-N 1 2 423.520 3.645 50 0 HHAALO CC(C)c1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000033312770 519836010 /nfs/dbraw/zinc/83/60/10/519836010.db2.gz OIBLNSABNUHSID-VWLOTQADSA-N 1 2 419.569 3.648 50 0 HHAALO CC(C)c1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000033312770 519836011 /nfs/dbraw/zinc/83/60/11/519836011.db2.gz OIBLNSABNUHSID-VWLOTQADSA-N 1 2 419.569 3.648 50 0 HHAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@@H+]1CCC[C@H](c3nc4ccccc4s3)C1)C2=O ZINC000036385998 524181254 /nfs/dbraw/zinc/18/12/54/524181254.db2.gz NAMHZQKSDYBGKG-VVBPWWLESA-N 1 2 412.559 3.934 50 0 HHAALO C[C@@H]1CCCC[C@]12NC(=O)N(C[N@H+]1CCC[C@H](c3nc4ccccc4s3)C1)C2=O ZINC000036385998 524181262 /nfs/dbraw/zinc/18/12/62/524181262.db2.gz NAMHZQKSDYBGKG-VVBPWWLESA-N 1 2 412.559 3.934 50 0 HHAALO COc1ccc(OC)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000022877314 524861374 /nfs/dbraw/zinc/86/13/74/524861374.db2.gz QKCZREPJICYRIJ-CQSZACIVSA-N 1 2 423.966 3.564 50 0 HHAALO CSc1cccc(N2C[C@@H](C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)c1 ZINC000032970954 526108397 /nfs/dbraw/zinc/10/83/97/526108397.db2.gz MMPINKSUQOKEKV-AEFFLSMTSA-N 1 2 420.538 3.825 50 0 HHAALO O=C(C1=Cc2ccccc2OC1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032744749 526279512 /nfs/dbraw/zinc/27/95/12/526279512.db2.gz BETARXPPCKITHB-UHFFFAOYSA-N 1 2 402.416 3.826 50 0 HHAALO O=C([C@@H](c1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC1 ZINC000023805737 526454778 /nfs/dbraw/zinc/45/47/78/526454778.db2.gz PBEIUIIWUMXWHD-HXUWFJFHSA-N 1 2 418.463 3.586 50 0 HHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000032882554 526749946 /nfs/dbraw/zinc/74/99/46/526749946.db2.gz XCHJNXZAUVTPST-UHFFFAOYSA-N 1 2 415.497 3.605 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000020393287 526831917 /nfs/dbraw/zinc/83/19/17/526831917.db2.gz ZWENXHJKUWVJNI-BJESRGMDSA-N 1 2 424.456 3.674 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000020393287 526831918 /nfs/dbraw/zinc/83/19/18/526831918.db2.gz ZWENXHJKUWVJNI-BJESRGMDSA-N 1 2 424.456 3.674 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000024865057 526955542 /nfs/dbraw/zinc/95/55/42/526955542.db2.gz XSXYRAUHGOIZCA-SFHVURJKSA-N 1 2 409.313 3.562 50 0 HHAALO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)C1 ZINC000001467499 535467778 /nfs/dbraw/zinc/46/77/78/535467778.db2.gz JCKUTDZMKPYQEC-SFHVURJKSA-N 1 2 406.534 3.517 50 0 HHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(Cl)nn4)CC3)cs2)cc1 ZINC000012855527 536514333 /nfs/dbraw/zinc/51/43/33/536514333.db2.gz LLIKOWORWIHBPH-UHFFFAOYSA-N 1 2 401.923 3.584 50 0 HHAALO Cc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755959 557458407 /nfs/dbraw/zinc/45/84/07/557458407.db2.gz ILROLVVLVVBFLU-UHFFFAOYSA-N 1 2 416.525 3.972 50 0 HHAALO Cc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)c1 ZINC000034755959 557458410 /nfs/dbraw/zinc/45/84/10/557458410.db2.gz ILROLVVLVVBFLU-UHFFFAOYSA-N 1 2 416.525 3.972 50 0 HHAALO COCCCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906559 557473427 /nfs/dbraw/zinc/47/34/27/557473427.db2.gz JATYRNUPFMFMCS-HXUWFJFHSA-N 1 2 412.578 3.986 50 0 HHAALO COC(=O)[C@H]([NH3+])Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004899669 557611220 /nfs/dbraw/zinc/61/12/20/557611220.db2.gz SPYVYWCBBVEEBH-XMMPIXPASA-N 1 2 411.505 3.766 50 0 HHAALO CCOC(=O)c1cnn2c1nc(-c1ccc(-n3cc[nH+]c3)cc1)cc2C(F)(F)F ZINC000002786120 557758934 /nfs/dbraw/zinc/75/89/34/557758934.db2.gz SBSVCPUICWTBOQ-UHFFFAOYSA-N 1 2 401.348 3.778 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022767450 557815289 /nfs/dbraw/zinc/81/52/89/557815289.db2.gz HYQVIIVKFJVJDD-NRFANRHFSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022767450 557815292 /nfs/dbraw/zinc/81/52/92/557815292.db2.gz HYQVIIVKFJVJDD-NRFANRHFSA-N 1 2 416.543 3.965 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1OC ZINC000022803829 557824713 /nfs/dbraw/zinc/82/47/13/557824713.db2.gz UGRWIIPXBDBCBU-HNNXBMFYSA-N 1 2 414.531 3.694 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)[NH+]1CCC(O)CC1)S2 ZINC000022855202 557842261 /nfs/dbraw/zinc/84/22/61/557842261.db2.gz SLKAUBKGYYKXQF-SFHVURJKSA-N 1 2 400.548 3.728 50 0 HHAALO CCOC(=O)c1c2ccc(C=O)c(Cl)c2sc1NC(=O)C[NH+]1CCCCC1 ZINC000004322317 557850003 /nfs/dbraw/zinc/85/00/03/557850003.db2.gz OUVGWSKDPNETHP-UHFFFAOYSA-N 1 2 408.907 3.968 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000019781845 558281108 /nfs/dbraw/zinc/28/11/08/558281108.db2.gz BUZNUXVSZZPPEE-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO COc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1OC ZINC000019781712 558281130 /nfs/dbraw/zinc/28/11/30/558281130.db2.gz LTPRPXLLUVNEHW-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO O=C(COc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019790316 558282333 /nfs/dbraw/zinc/28/23/33/558282333.db2.gz WSDTUVYONIPCCA-UHFFFAOYSA-N 1 2 423.738 3.826 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)c(OC)c1 ZINC000019832104 558292008 /nfs/dbraw/zinc/29/20/08/558292008.db2.gz SFSFUHKAWJADGD-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO CCCOc1ccc(N2C(=O)C[C@@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000019858051 558296949 /nfs/dbraw/zinc/29/69/49/558296949.db2.gz PMIUOTLJNZGYEB-LJQANCHMSA-N 1 2 409.511 3.960 50 0 HHAALO COc1ccc2[nH]c(CCN(C)c3nncc(-c4cc5ccccc5o4)n3)[nH+]c2c1 ZINC000011935785 558299929 /nfs/dbraw/zinc/29/99/29/558299929.db2.gz LZFQFPVNJIIMHT-UHFFFAOYSA-N 1 2 400.442 3.849 50 0 HHAALO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019890014 558302673 /nfs/dbraw/zinc/30/26/73/558302673.db2.gz RGCDENSEERFTSL-UHFFFAOYSA-N 1 2 405.523 3.828 50 0 HHAALO O=C1C[C@@H](c2cccs2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000019899898 558304835 /nfs/dbraw/zinc/30/48/35/558304835.db2.gz SHUNLXGAGCXBFU-SFHVURJKSA-N 1 2 404.539 3.773 50 0 HHAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000020102250 558332251 /nfs/dbraw/zinc/33/22/51/558332251.db2.gz HIAVMHRHRWHXQM-GOSISDBHSA-N 1 2 417.488 3.558 50 0 HHAALO CSc1nc2sc3c(c2c(SCC(=O)N2CCC(C)CC2)n1)CC[N@H+](C)C3 ZINC000020389653 558359129 /nfs/dbraw/zinc/35/91/29/558359129.db2.gz OTIIWTZCBOKBKO-UHFFFAOYSA-N 1 2 422.645 3.752 50 0 HHAALO CSc1nc2sc3c(c2c(SCC(=O)N2CCC(C)CC2)n1)CC[N@@H+](C)C3 ZINC000020389653 558359131 /nfs/dbraw/zinc/35/91/31/558359131.db2.gz OTIIWTZCBOKBKO-UHFFFAOYSA-N 1 2 422.645 3.752 50 0 HHAALO Cc1cccc2c(C(=O)NCC[NH+]3CCOCC3)cc(-c3ccc(Cl)cc3)nc12 ZINC000020418365 558361454 /nfs/dbraw/zinc/36/14/54/558361454.db2.gz NZJHWSRRIWPXDJ-UHFFFAOYSA-N 1 2 409.917 3.926 50 0 HHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000012307237 558375763 /nfs/dbraw/zinc/37/57/63/558375763.db2.gz HKTJZFRRCRATFR-UHFFFAOYSA-N 1 2 416.481 3.753 50 0 HHAALO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000020615898 558392724 /nfs/dbraw/zinc/39/27/24/558392724.db2.gz QZKZFZJPLGRGIX-UHFFFAOYSA-N 1 2 423.488 3.968 50 0 HHAALO CCCCCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c2ccccc12 ZINC000012559038 558427636 /nfs/dbraw/zinc/42/76/36/558427636.db2.gz NDBKREIACBPAFM-UHFFFAOYSA-N 1 2 401.532 3.974 50 0 HHAALO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022184494 558465363 /nfs/dbraw/zinc/46/53/63/558465363.db2.gz UGIGIGYLSFLGDV-YCRPNKLZSA-N 1 2 421.522 3.868 50 0 HHAALO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022184494 558465365 /nfs/dbraw/zinc/46/53/65/558465365.db2.gz UGIGIGYLSFLGDV-YCRPNKLZSA-N 1 2 421.522 3.868 50 0 HHAALO C[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccsc3)CC2)c2ccccc2S1 ZINC000022801813 558513192 /nfs/dbraw/zinc/51/31/92/558513192.db2.gz FOEDOHAIFUKTKA-QGZVFWFLSA-N 1 2 401.601 3.783 50 0 HHAALO C[C@H](Sc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)c1ccccc1 ZINC000022956599 558527649 /nfs/dbraw/zinc/52/76/49/558527649.db2.gz FSSBRARRPOPGNL-SFHVURJKSA-N 1 2 409.555 3.972 50 0 HHAALO Cc1nnc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000023339495 558550273 /nfs/dbraw/zinc/55/02/73/558550273.db2.gz DVAUIMVDGUWRTN-UHFFFAOYSA-N 1 2 417.469 3.651 50 0 HHAALO Cc1nnc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)o1 ZINC000023339495 558550275 /nfs/dbraw/zinc/55/02/75/558550275.db2.gz DVAUIMVDGUWRTN-UHFFFAOYSA-N 1 2 417.469 3.651 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735416 558572141 /nfs/dbraw/zinc/57/21/41/558572141.db2.gz FPUXGRHEBPSVIF-UHFFFAOYSA-N 1 2 400.935 3.854 50 0 HHAALO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013690765 558572780 /nfs/dbraw/zinc/57/27/80/558572780.db2.gz OTNJXIVVSIDXBD-UHFFFAOYSA-N 1 2 406.555 3.822 50 0 HHAALO O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023873110 558578922 /nfs/dbraw/zinc/57/89/22/558578922.db2.gz WTGRRWZAOLOWOV-UHFFFAOYSA-N 1 2 416.525 3.587 50 0 HHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)sc2C1 ZINC000023936438 558581873 /nfs/dbraw/zinc/58/18/73/558581873.db2.gz SOUMDEVULIVLGW-LJQANCHMSA-N 1 2 419.506 3.838 50 0 HHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)sc2C1 ZINC000023936438 558581876 /nfs/dbraw/zinc/58/18/76/558581876.db2.gz SOUMDEVULIVLGW-LJQANCHMSA-N 1 2 419.506 3.838 50 0 HHAALO O=C(CCC(=O)c1ccc2ccccc2c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024083997 558588149 /nfs/dbraw/zinc/58/81/49/558588149.db2.gz KCVSJWQYLUKMPX-UHFFFAOYSA-N 1 2 416.521 3.951 50 0 HHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000024210110 558592263 /nfs/dbraw/zinc/59/22/63/558592263.db2.gz WCTOHKCFCTZWJL-FQEVSTJZSA-N 1 2 402.922 3.525 50 0 HHAALO Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000024574449 558601384 /nfs/dbraw/zinc/60/13/84/558601384.db2.gz LSKJSBLYQRHYRN-UHFFFAOYSA-N 1 2 424.932 3.563 50 0 HHAALO COC(=O)[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000024825849 558613880 /nfs/dbraw/zinc/61/38/80/558613880.db2.gz FXYUPQOXDIIDIU-HXUWFJFHSA-N 1 2 415.946 3.982 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000014129416 558623967 /nfs/dbraw/zinc/62/39/67/558623967.db2.gz MNNKYMPQPCVPNM-DLBZAZTESA-N 1 2 407.543 3.946 50 0 HHAALO CC[C@H](c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1Cc1ccccc1)[NH+](C)C ZINC000024985292 558624855 /nfs/dbraw/zinc/62/48/55/558624855.db2.gz SHBSAXMKATXKBM-IEBWSBKVSA-N 1 2 415.607 3.690 50 0 HHAALO COc1ccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+]2CCOCC2)cc1 ZINC000014185483 558630452 /nfs/dbraw/zinc/63/04/52/558630452.db2.gz NGVZJEDHQDRNDK-XMMPIXPASA-N 1 2 404.510 3.581 50 0 HHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000025531499 558642959 /nfs/dbraw/zinc/64/29/59/558642959.db2.gz FNHPWYFKYUPXRA-UHFFFAOYSA-N 1 2 412.484 3.575 50 0 HHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+](C)Cc1ccc(F)cc1F ZINC000025531499 558642961 /nfs/dbraw/zinc/64/29/61/558642961.db2.gz FNHPWYFKYUPXRA-UHFFFAOYSA-N 1 2 412.484 3.575 50 0 HHAALO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000014247246 558648230 /nfs/dbraw/zinc/64/82/30/558648230.db2.gz JDKUAKHOIRMOIY-UHFFFAOYSA-N 1 2 405.292 3.637 50 0 HHAALO CC(C)[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000026282570 558658277 /nfs/dbraw/zinc/65/82/77/558658277.db2.gz MXZXTIJCMBLZER-QHCPKHFHSA-N 1 2 408.546 3.786 50 0 HHAALO COC(=O)c1cccc(C[NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000027113306 558669647 /nfs/dbraw/zinc/66/96/47/558669647.db2.gz LNGOFRVFXVXSPX-UHFFFAOYSA-N 1 2 413.568 3.976 50 0 HHAALO CCN(C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)c1cccc2ccccc21 ZINC000027141349 558670066 /nfs/dbraw/zinc/67/00/66/558670066.db2.gz VXKGCUIMSURLEO-JOCHJYFZSA-N 1 2 405.498 3.567 50 0 HHAALO CCN(C(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)c1cccc2ccccc21 ZINC000027141349 558670068 /nfs/dbraw/zinc/67/00/68/558670068.db2.gz VXKGCUIMSURLEO-JOCHJYFZSA-N 1 2 405.498 3.567 50 0 HHAALO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000027146159 558670098 /nfs/dbraw/zinc/67/00/98/558670098.db2.gz QGXWAJJLZNJZPS-HXUWFJFHSA-N 1 2 410.539 3.715 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000027580322 558675539 /nfs/dbraw/zinc/67/55/39/558675539.db2.gz OTNVWVKLNGXNBX-OAQYLSRUSA-N 1 2 416.949 3.834 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000014967833 558686398 /nfs/dbraw/zinc/68/63/98/558686398.db2.gz ITISQBALVZYDNB-LJQANCHMSA-N 1 2 405.454 3.618 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000014967833 558686401 /nfs/dbraw/zinc/68/64/01/558686401.db2.gz ITISQBALVZYDNB-LJQANCHMSA-N 1 2 405.454 3.618 50 0 HHAALO Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)c1C ZINC000028291032 558697185 /nfs/dbraw/zinc/69/71/85/558697185.db2.gz KJXPGEHHBAHCDI-HSZRJFAPSA-N 1 2 410.558 3.995 50 0 HHAALO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028292057 558697882 /nfs/dbraw/zinc/69/78/82/558697882.db2.gz KBSZJKJEIMMYIU-QHCPKHFHSA-N 1 2 410.558 3.861 50 0 HHAALO Cc1cc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)nc(C(C)C)[nH+]1 ZINC000015033284 558703586 /nfs/dbraw/zinc/70/35/86/558703586.db2.gz YDLYDIRTPJFUKT-UHFFFAOYSA-N 1 2 412.925 3.934 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000028947539 558707976 /nfs/dbraw/zinc/70/79/76/558707976.db2.gz KCXZQPBYVIAHBK-HXUWFJFHSA-N 1 2 421.888 3.962 50 0 HHAALO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000029089934 558709645 /nfs/dbraw/zinc/70/96/45/558709645.db2.gz DIVKEWFBKXUDAH-HSZRJFAPSA-N 1 2 407.514 3.550 50 0 HHAALO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(C)=O)ccc1OC(F)F ZINC000029850098 558722555 /nfs/dbraw/zinc/72/25/55/558722555.db2.gz YMVXAAGHDCOPBN-CYBMUJFWSA-N 1 2 406.429 3.958 50 0 HHAALO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(C)=O)ccc1OC(F)F ZINC000029850098 558722558 /nfs/dbraw/zinc/72/25/58/558722558.db2.gz YMVXAAGHDCOPBN-CYBMUJFWSA-N 1 2 406.429 3.958 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000015524299 558742399 /nfs/dbraw/zinc/74/23/99/558742399.db2.gz PBQDLYUNYVDIFM-UHFFFAOYSA-N 1 2 420.340 3.960 50 0 HHAALO Cc1cc(C)cc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)c1 ZINC000004583865 558774128 /nfs/dbraw/zinc/77/41/28/558774128.db2.gz RNLNAWSRCHJLBB-UHFFFAOYSA-N 1 2 418.493 3.832 50 0 HHAALO Cc1cc(C)cc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)c1 ZINC000004583865 558774130 /nfs/dbraw/zinc/77/41/30/558774130.db2.gz RNLNAWSRCHJLBB-UHFFFAOYSA-N 1 2 418.493 3.832 50 0 HHAALO Cc1cc(N2CCN(C(=O)C3=Cc4cc(Cl)ccc4OC3)CC2)nc(C(C)C)[nH+]1 ZINC000016181924 558775480 /nfs/dbraw/zinc/77/54/80/558775480.db2.gz BWZAPSMABIZECD-UHFFFAOYSA-N 1 2 412.921 3.686 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 ZINC000017116242 558822937 /nfs/dbraw/zinc/82/29/37/558822937.db2.gz VZGDXPJGXCDBPT-LJQANCHMSA-N 1 2 411.546 3.552 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000018209943 558833527 /nfs/dbraw/zinc/83/35/27/558833527.db2.gz KOBSNTCMQVRZQT-IRXDYDNUSA-N 1 2 418.423 3.560 50 0 HHAALO Cc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)c(C)c1 ZINC000054225025 558866717 /nfs/dbraw/zinc/86/67/17/558866717.db2.gz RMZNESXZIHKTOC-UHFFFAOYSA-N 1 2 402.336 3.827 50 0 HHAALO CCOc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1OC ZINC000033071882 558866871 /nfs/dbraw/zinc/86/68/71/558866871.db2.gz FVNWMKPUZIAVMJ-KRWDZBQOSA-N 1 2 408.502 3.503 50 0 HHAALO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000054254192 558866929 /nfs/dbraw/zinc/86/69/29/558866929.db2.gz YGGOOACURLFNCK-RMKNXTFCSA-N 1 2 409.555 3.891 50 0 HHAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000019313525 558866951 /nfs/dbraw/zinc/86/69/51/558866951.db2.gz PEAHZXGSIHQOMP-QFIPXVFZSA-N 1 2 419.912 3.947 50 0 HHAALO Clc1cccc(N2CCN(C[NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000019324386 558867627 /nfs/dbraw/zinc/86/76/27/558867627.db2.gz MZAJTJOMSOORSE-UHFFFAOYSA-N 1 2 405.373 3.895 50 0 HHAALO CC(C)Oc1cc(Br)ccc1C(=O)NCCc1[nH+]ccn1C(F)F ZINC000060367909 558889764 /nfs/dbraw/zinc/88/97/64/558889764.db2.gz JTPHXKBSHPYSLW-UHFFFAOYSA-N 1 2 402.239 3.800 50 0 HHAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000058158407 558903865 /nfs/dbraw/zinc/90/38/65/558903865.db2.gz NAUKSTOGUKSWTN-UHFFFAOYSA-N 1 2 421.570 3.503 50 0 HHAALO CCOc1cc(CN2CC[NH+](Cc3ccc(OC)c(OCC)c3)CC2)ccc1OC ZINC000019532061 558912295 /nfs/dbraw/zinc/91/22/95/558912295.db2.gz NDKADWVGZBYFLI-UHFFFAOYSA-N 1 2 414.546 3.819 50 0 HHAALO O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000033227003 558913503 /nfs/dbraw/zinc/91/35/03/558913503.db2.gz VQYYTTASEUVVHD-UHFFFAOYSA-N 1 2 419.460 3.760 50 0 HHAALO CC(C)(C)OC(=O)N1CC[NH+](Cc2csc3nc(-c4ccccc4N)cn23)CC1 ZINC000059183773 558932486 /nfs/dbraw/zinc/93/24/86/558932486.db2.gz MFENNGNCCWZOCX-UHFFFAOYSA-N 1 2 413.547 3.698 50 0 HHAALO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000059931842 558939888 /nfs/dbraw/zinc/93/98/88/558939888.db2.gz IXOYUKOGLQKIHC-UHFFFAOYSA-N 1 2 413.403 3.760 50 0 HHAALO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000059931842 558939891 /nfs/dbraw/zinc/93/98/91/558939891.db2.gz IXOYUKOGLQKIHC-UHFFFAOYSA-N 1 2 413.403 3.760 50 0 HHAALO Cc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000063833982 558959092 /nfs/dbraw/zinc/95/90/92/558959092.db2.gz KSEGQXZDHXMSER-UHFFFAOYSA-N 1 2 402.502 3.728 50 0 HHAALO Cc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)Cc3ccccc3)nc21 ZINC000022997338 558982425 /nfs/dbraw/zinc/98/24/25/558982425.db2.gz SWJJAEVLJGGRCC-UHFFFAOYSA-N 1 2 409.555 3.903 50 0 HHAALO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072447372 558982650 /nfs/dbraw/zinc/98/26/50/558982650.db2.gz WNFQAOFNGPMASK-ZDUSSCGKSA-N 1 2 409.873 3.604 50 0 HHAALO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072447372 558982652 /nfs/dbraw/zinc/98/26/52/558982652.db2.gz WNFQAOFNGPMASK-ZDUSSCGKSA-N 1 2 409.873 3.604 50 0 HHAALO COc1ccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1OC ZINC000023106485 559010170 /nfs/dbraw/zinc/01/01/70/559010170.db2.gz OQPZWGBNHDDEHA-QFIPXVFZSA-N 1 2 420.509 3.660 50 0 HHAALO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000023153782 559021807 /nfs/dbraw/zinc/02/18/07/559021807.db2.gz FMZLXDWBPQXJDV-UHFFFAOYSA-N 1 2 421.522 3.666 50 0 HHAALO COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000023153782 559021810 /nfs/dbraw/zinc/02/18/10/559021810.db2.gz FMZLXDWBPQXJDV-UHFFFAOYSA-N 1 2 421.522 3.666 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1ccc(Br)cc1 ZINC000033280303 559043512 /nfs/dbraw/zinc/04/35/12/559043512.db2.gz MAOWOFQCZGAJHK-UHFFFAOYSA-N 1 2 407.337 3.719 50 0 HHAALO COc1ccccc1NC(=O)C1CC[NH+](Cc2noc(-c3cccc(C)c3)n2)CC1 ZINC000033327675 559060455 /nfs/dbraw/zinc/06/04/55/559060455.db2.gz KJDQEHYZJSLDPA-UHFFFAOYSA-N 1 2 406.486 3.904 50 0 HHAALO CCCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)n1 ZINC000089960485 559067424 /nfs/dbraw/zinc/06/74/24/559067424.db2.gz OOSHKYXVCOFCOH-OAHLLOKOSA-N 1 2 412.456 3.842 50 0 HHAALO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023248937 559068370 /nfs/dbraw/zinc/06/83/70/559068370.db2.gz ZJHRSEKALHUVOW-GBXCKJPGSA-N 1 2 403.526 3.889 50 0 HHAALO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000091906462 559074584 /nfs/dbraw/zinc/07/45/84/559074584.db2.gz SOGODJQLVCPGFU-JOCHJYFZSA-N 1 2 401.528 3.664 50 0 HHAALO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000091906462 559074585 /nfs/dbraw/zinc/07/45/85/559074585.db2.gz SOGODJQLVCPGFU-JOCHJYFZSA-N 1 2 401.528 3.664 50 0 HHAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)NC(C)(C)C)CC2)N([C@@H](C)c2ccccc2)C1=O ZINC000096211072 559101579 /nfs/dbraw/zinc/10/15/79/559101579.db2.gz XIOWACXLIDRGLI-BJLQDIEVSA-N 1 2 414.594 3.894 50 0 HHAALO COc1ccc(-c2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)c(OC)c1 ZINC000096406001 559110163 /nfs/dbraw/zinc/11/01/63/559110163.db2.gz ZHKFFGOOLGJSJV-QGZVFWFLSA-N 1 2 410.470 3.939 50 0 HHAALO COc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)c(OC)c1 ZINC000096406001 559110164 /nfs/dbraw/zinc/11/01/64/559110164.db2.gz ZHKFFGOOLGJSJV-QGZVFWFLSA-N 1 2 410.470 3.939 50 0 HHAALO O=C(CSc1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024301525 559286386 /nfs/dbraw/zinc/28/63/86/559286386.db2.gz PYYDRMSNNDUBFC-UHFFFAOYSA-N 1 2 402.947 3.711 50 0 HHAALO O=C(c1cnn(-c2ccccc2)n1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130108 560580365 /nfs/dbraw/zinc/58/03/65/560580365.db2.gz OHIUFZCPBHMEOV-UHFFFAOYSA-N 1 2 412.497 3.683 50 0 HHAALO CCCCn1c2nc(C[N@H+](Cc3ccc(C(C)C)cc3)C3CC3)n(C)c2c(=O)[nH]c1=O ZINC000062580025 560631359 /nfs/dbraw/zinc/63/13/59/560631359.db2.gz DLJHVZXMJURSSU-UHFFFAOYSA-N 1 2 423.561 3.511 50 0 HHAALO CCCCn1c2nc(C[N@@H+](Cc3ccc(C(C)C)cc3)C3CC3)n(C)c2c(=O)[nH]c1=O ZINC000062580025 560631360 /nfs/dbraw/zinc/63/13/60/560631360.db2.gz DLJHVZXMJURSSU-UHFFFAOYSA-N 1 2 423.561 3.511 50 0 HHAALO COc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1F ZINC000102930334 560836032 /nfs/dbraw/zinc/83/60/32/560836032.db2.gz XZERYMOTJAQRDF-KRWDZBQOSA-N 1 2 420.868 3.569 50 0 HHAALO COc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1F ZINC000102930334 560836033 /nfs/dbraw/zinc/83/60/33/560836033.db2.gz XZERYMOTJAQRDF-KRWDZBQOSA-N 1 2 420.868 3.569 50 0 HHAALO NC(=O)COc1ccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)cc1 ZINC000019325272 560872766 /nfs/dbraw/zinc/87/27/66/560872766.db2.gz KURPXYRQJWESSE-UHFFFAOYSA-N 1 2 401.510 3.567 50 0 HHAALO NC(=O)COc1ccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)cc1 ZINC000019325272 560872767 /nfs/dbraw/zinc/87/27/67/560872767.db2.gz KURPXYRQJWESSE-UHFFFAOYSA-N 1 2 401.510 3.567 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022907483 568416122 /nfs/dbraw/zinc/41/61/22/568416122.db2.gz DNJMZWDXRFHAAS-FQEVSTJZSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl ZINC000022907483 568416124 /nfs/dbraw/zinc/41/61/24/568416124.db2.gz DNJMZWDXRFHAAS-FQEVSTJZSA-N 1 2 423.900 3.787 50 0 HHAALO COc1ccccc1-c1ccccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000048105714 568431907 /nfs/dbraw/zinc/43/19/07/568431907.db2.gz SLKXWLYAGOKLLE-UHFFFAOYSA-N 1 2 403.482 3.524 50 0 HHAALO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000048234863 568432686 /nfs/dbraw/zinc/43/26/86/568432686.db2.gz URIIDGMGNJNRLG-IAGOWNOFSA-N 1 2 420.513 3.518 50 0 HHAALO CCn1cnnc1-c1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000048302759 568437802 /nfs/dbraw/zinc/43/78/02/568437802.db2.gz NHTQMOKYEFRVAE-FQEVSTJZSA-N 1 2 407.543 3.694 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@@H](CNC(=O)C2CCCCC2)c2cccnc2)CC1 ZINC000049743595 568453454 /nfs/dbraw/zinc/45/34/54/568453454.db2.gz KYFMZTOOXJOANK-QHCPKHFHSA-N 1 2 422.573 3.650 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000021153619 568462008 /nfs/dbraw/zinc/46/20/08/568462008.db2.gz AXXCIXVZUDZOAZ-QHCPKHFHSA-N 1 2 423.582 3.720 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000021153619 568462009 /nfs/dbraw/zinc/46/20/09/568462009.db2.gz AXXCIXVZUDZOAZ-QHCPKHFHSA-N 1 2 423.582 3.720 50 0 HHAALO COc1cccc(OC)c1C(=O)NC[C@H](c1cccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000021151506 568462036 /nfs/dbraw/zinc/46/20/36/568462036.db2.gz FCUKUGXTRZFJKY-OAQYLSRUSA-N 1 2 419.525 3.572 50 0 HHAALO COc1cccc(OC)c1C(=O)NC[C@H](c1cccn1C)[N@H+]1CCc2ccccc2C1 ZINC000021151506 568462038 /nfs/dbraw/zinc/46/20/38/568462038.db2.gz FCUKUGXTRZFJKY-OAQYLSRUSA-N 1 2 419.525 3.572 50 0 HHAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccn2)cc1Cl ZINC000020107659 568588152 /nfs/dbraw/zinc/58/81/52/568588152.db2.gz BKTGXPXYYZTEBS-UHFFFAOYSA-N 1 2 418.994 3.965 50 0 HHAALO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000020107923 568588489 /nfs/dbraw/zinc/58/84/89/568588489.db2.gz BSBDMBQNKFTBAG-UHFFFAOYSA-N 1 2 404.967 3.656 50 0 HHAALO C[C@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288961 568597747 /nfs/dbraw/zinc/59/77/47/568597747.db2.gz QVEZYQBOPLHRBW-JTSKRJEESA-N 1 2 424.545 3.964 50 0 HHAALO Cc1ccc(-c2cn3c4ccc(C(=O)NCC[NH+]5CCOCC5)cc4sc3n2)cc1 ZINC000020490294 568614496 /nfs/dbraw/zinc/61/44/96/568614496.db2.gz BCVGQNKKAYPUKE-UHFFFAOYSA-N 1 2 420.538 3.586 50 0 HHAALO COc1ccccc1-c1ccccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000040120939 568620758 /nfs/dbraw/zinc/62/07/58/568620758.db2.gz BUSJRDVCMROWES-UHFFFAOYSA-N 1 2 403.482 3.524 50 0 HHAALO O=C(/C=C/c1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029088022 568645307 /nfs/dbraw/zinc/64/53/07/568645307.db2.gz FRJPHFFCVFCJPQ-ZBWUASRJSA-N 1 2 415.331 3.652 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C3CCN(c4[nH]c5ccccc5[nH+]4)CC3)CC2)c1C ZINC000021158638 568674205 /nfs/dbraw/zinc/67/42/05/568674205.db2.gz AESWYIKHDQTDRO-UHFFFAOYSA-N 1 2 417.557 3.745 50 0 HHAALO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc1)[C@H](C)C2 ZINC000096003368 568681830 /nfs/dbraw/zinc/68/18/30/568681830.db2.gz GDRMGUPOCQNIFM-OPAMFIHVSA-N 1 2 421.522 3.854 50 0 HHAALO O=C(NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000096011883 568684363 /nfs/dbraw/zinc/68/43/63/568684363.db2.gz GOTJUDZUOGDZBG-JOCHJYFZSA-N 1 2 423.476 3.857 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000021583771 568719836 /nfs/dbraw/zinc/71/98/36/568719836.db2.gz VOGAPGUYYIJKQE-OAHLLOKOSA-N 1 2 418.950 3.675 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000021583771 568719839 /nfs/dbraw/zinc/71/98/39/568719839.db2.gz VOGAPGUYYIJKQE-OAHLLOKOSA-N 1 2 418.950 3.675 50 0 HHAALO COc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)NC(C)C)CC2)c1 ZINC000096316774 568725667 /nfs/dbraw/zinc/72/56/67/568725667.db2.gz AAHVQMQXYPNYKB-UHFFFAOYSA-N 1 2 423.561 3.502 50 0 HHAALO Cc1[nH+]c(CC(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000096316987 568726335 /nfs/dbraw/zinc/72/63/35/568726335.db2.gz JZTGEYCULDSUNK-UHFFFAOYSA-N 1 2 410.537 3.772 50 0 HHAALO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccc(F)cc1F ZINC000238900249 568727151 /nfs/dbraw/zinc/72/71/51/568727151.db2.gz IEVAPODUOLNBST-SFHVURJKSA-N 1 2 407.367 3.931 50 0 HHAALO C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000085997931 568745406 /nfs/dbraw/zinc/74/54/06/568745406.db2.gz XECQAFPUIUQOFF-CVDCTZTESA-N 1 2 420.582 3.821 50 0 HHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCc4ccccc4)CC3)no2)cc1 ZINC000021724173 568751064 /nfs/dbraw/zinc/75/10/64/568751064.db2.gz XWFWSYHCKFINKH-UHFFFAOYSA-N 1 2 404.514 3.616 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4F)C3)no2)cc1 ZINC000021724758 568751291 /nfs/dbraw/zinc/75/12/91/568751291.db2.gz WEIKSIZTPUUAIM-IBGZPJMESA-N 1 2 408.477 3.713 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4F)C3)no2)cc1 ZINC000021724758 568751293 /nfs/dbraw/zinc/75/12/93/568751293.db2.gz WEIKSIZTPUUAIM-IBGZPJMESA-N 1 2 408.477 3.713 50 0 HHAALO CC[N@H+](CCCNC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1 ZINC000002940445 568819207 /nfs/dbraw/zinc/81/92/07/568819207.db2.gz QIYWARNAPGXVIY-UHFFFAOYSA-N 1 2 402.560 3.500 50 0 HHAALO CC[N@@H+](CCCNC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1cccc(C)c1 ZINC000002940445 568819209 /nfs/dbraw/zinc/81/92/09/568819209.db2.gz QIYWARNAPGXVIY-UHFFFAOYSA-N 1 2 402.560 3.500 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000056945343 568821471 /nfs/dbraw/zinc/82/14/71/568821471.db2.gz YIQNFJHLPRPYOL-OAQYLSRUSA-N 1 2 411.452 3.851 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000056945809 568821800 /nfs/dbraw/zinc/82/18/00/568821800.db2.gz ITXOXRCQUXWSMK-NRFANRHFSA-N 1 2 411.452 3.851 50 0 HHAALO Cc1ccc(COc2coc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2=O)cc1 ZINC000056949879 568821982 /nfs/dbraw/zinc/82/19/82/568821982.db2.gz JXMQVCLRNNECBJ-UHFFFAOYSA-N 1 2 408.473 3.989 50 0 HHAALO Cc1csc(Sc2ccc(NC(=O)NCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000063163010 568825829 /nfs/dbraw/zinc/82/58/29/568825829.db2.gz CQPPDXVHKSJUOX-GJZGRUSLSA-N 1 2 406.577 3.833 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000057350767 568827326 /nfs/dbraw/zinc/82/73/26/568827326.db2.gz MSTRIXCDSZKHDR-UHFFFAOYSA-N 1 2 407.514 3.879 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000057363937 568829339 /nfs/dbraw/zinc/82/93/39/568829339.db2.gz GVBULVDOYRTRIQ-UHFFFAOYSA-N 1 2 413.827 3.825 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000057363900 568829359 /nfs/dbraw/zinc/82/93/59/568829359.db2.gz QQRPENMLSXTQOM-UHFFFAOYSA-N 1 2 414.509 3.700 50 0 HHAALO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057406239 568832781 /nfs/dbraw/zinc/83/27/81/568832781.db2.gz OYKFVRLCOFSPNQ-LXGFQCHUSA-N 1 2 401.982 3.936 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1ccc(Cl)cc1 ZINC000012506672 568839440 /nfs/dbraw/zinc/83/94/40/568839440.db2.gz HBQJVBURNOCZDE-SFHVURJKSA-N 1 2 416.934 3.551 50 0 HHAALO Cc1ccc(OCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(Br)c1 ZINC000012525306 568842710 /nfs/dbraw/zinc/84/27/10/568842710.db2.gz VPGMWWSTUUBXHY-UHFFFAOYSA-N 1 2 414.303 3.698 50 0 HHAALO CC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012549697 568852072 /nfs/dbraw/zinc/85/20/72/568852072.db2.gz QDNOZKUJLCEJFX-LJQANCHMSA-N 1 2 417.918 3.686 50 0 HHAALO C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550095 568852361 /nfs/dbraw/zinc/85/23/61/568852361.db2.gz YPEVBVJOKPULKW-AWEZNQCLSA-N 1 2 400.276 3.891 50 0 HHAALO Cc1sc2nc(C)nc(N3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)c2c1C ZINC000057692968 568858387 /nfs/dbraw/zinc/85/83/87/568858387.db2.gz LNSAPYWMFKOWOY-UHFFFAOYSA-N 1 2 413.522 3.516 50 0 HHAALO O[C@@H](COc1ccccc1F)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000025753534 568913751 /nfs/dbraw/zinc/91/37/51/568913751.db2.gz PKEMZCLTVPLYPO-GOSISDBHSA-N 1 2 400.519 3.598 50 0 HHAALO C[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000004087101 568940646 /nfs/dbraw/zinc/94/06/46/568940646.db2.gz ILWYFFGJIZMICL-UHFFFAOYSA-N 1 2 407.495 3.880 50 0 HHAALO C[N@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000004087101 568940648 /nfs/dbraw/zinc/94/06/48/568940648.db2.gz ILWYFFGJIZMICL-UHFFFAOYSA-N 1 2 407.495 3.880 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012765597 568948341 /nfs/dbraw/zinc/94/83/41/568948341.db2.gz XTKYJWKQLCSQOU-HNNXBMFYSA-N 1 2 417.912 3.835 50 0 HHAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000015671332 568961870 /nfs/dbraw/zinc/96/18/70/568961870.db2.gz HAUCRSZPERTXBS-UHFFFAOYSA-N 1 2 409.515 3.930 50 0 HHAALO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008075462 568972363 /nfs/dbraw/zinc/97/23/63/568972363.db2.gz WGXFTGIOPFGWLB-LJQANCHMSA-N 1 2 406.935 3.691 50 0 HHAALO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000008075462 568972365 /nfs/dbraw/zinc/97/23/65/568972365.db2.gz WGXFTGIOPFGWLB-LJQANCHMSA-N 1 2 406.935 3.691 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000008279110 568987306 /nfs/dbraw/zinc/98/73/06/568987306.db2.gz HYNHRTQIQWJAAE-UHFFFAOYSA-N 1 2 418.522 3.829 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310300 568988493 /nfs/dbraw/zinc/98/84/93/568988493.db2.gz HKTUBGKYNBSWFP-LJQANCHMSA-N 1 2 412.486 3.641 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310300 568988494 /nfs/dbraw/zinc/98/84/94/568988494.db2.gz HKTUBGKYNBSWFP-LJQANCHMSA-N 1 2 412.486 3.641 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012815275 568989518 /nfs/dbraw/zinc/98/95/18/568989518.db2.gz QSAXOMZFYUOVIT-UHFFFAOYSA-N 1 2 421.969 3.710 50 0 HHAALO O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccc(-n2cccn2)cc1 ZINC000575618619 569038085 /nfs/dbraw/zinc/03/80/85/569038085.db2.gz DXLGHCUZAXKLHS-UHFFFAOYSA-N 1 2 419.510 3.873 50 0 HHAALO COc1ccc([C@@H](CNC(=O)/C=C/c2cccc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000013095747 569043580 /nfs/dbraw/zinc/04/35/80/569043580.db2.gz OPTYRNKGUQCNPT-BSDIHXDHSA-N 1 2 400.906 3.552 50 0 HHAALO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000012999288 569048954 /nfs/dbraw/zinc/04/89/54/569048954.db2.gz VKBNZYUJYGPNIU-SFHVURJKSA-N 1 2 411.527 3.525 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000247871089 569057584 /nfs/dbraw/zinc/05/75/84/569057584.db2.gz LKISCTNMRXYASH-IVAOSVALSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000247871089 569057585 /nfs/dbraw/zinc/05/75/85/569057585.db2.gz LKISCTNMRXYASH-IVAOSVALSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1nn(-c2ccccc2Cl)c(Cl)c1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000089522467 569063680 /nfs/dbraw/zinc/06/36/80/569063680.db2.gz YYUZRTVFXVZLER-UHFFFAOYSA-N 1 2 406.317 3.923 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)sc2c1CCC2 ZINC000006602448 569069895 /nfs/dbraw/zinc/06/98/95/569069895.db2.gz UKGRNTIZIBQYAZ-INIZCTEOSA-N 1 2 401.532 3.528 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)sc2c1CCC2 ZINC000006602448 569069896 /nfs/dbraw/zinc/06/98/96/569069896.db2.gz UKGRNTIZIBQYAZ-INIZCTEOSA-N 1 2 401.532 3.528 50 0 HHAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1 ZINC000426399351 569072770 /nfs/dbraw/zinc/07/27/70/569072770.db2.gz FCSDQYOQFRZTLM-OAHLLOKOSA-N 1 2 404.474 3.653 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccon3)csc2C1 ZINC000426399142 569072795 /nfs/dbraw/zinc/07/27/95/569072795.db2.gz BKGURDDLEIWJAI-CYBMUJFWSA-N 1 2 400.504 3.732 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccon3)csc2C1 ZINC000426399142 569072796 /nfs/dbraw/zinc/07/27/96/569072796.db2.gz BKGURDDLEIWJAI-CYBMUJFWSA-N 1 2 400.504 3.732 50 0 HHAALO O=C(Nc1ccc(Cl)cc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036311232 569132173 /nfs/dbraw/zinc/13/21/73/569132173.db2.gz QDTPWEIGDKLBNZ-FQEVSTJZSA-N 1 2 403.954 3.782 50 0 HHAALO O=C(CCc1ccccc1)N1CC[NH+]([C@@H](C(=O)Nc2ccccc2)C2CCCC2)CC1 ZINC000036311304 569132314 /nfs/dbraw/zinc/13/23/14/569132314.db2.gz IRYNYOQQLHQVDC-RUZDIDTESA-N 1 2 419.569 3.961 50 0 HHAALO Cc1ccc2c(c1)c(=O)c1c(n2C)CC[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000065034804 569158363 /nfs/dbraw/zinc/15/83/63/569158363.db2.gz YOBQUUMCISDGDQ-UHFFFAOYSA-N 1 2 403.526 3.967 50 0 HHAALO Cc1ccc2c(c1)c(=O)c1c(n2C)CC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000065034804 569158364 /nfs/dbraw/zinc/15/83/64/569158364.db2.gz YOBQUUMCISDGDQ-UHFFFAOYSA-N 1 2 403.526 3.967 50 0 HHAALO O=C(Cc1cccs1)N1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172412 569189733 /nfs/dbraw/zinc/18/97/33/569189733.db2.gz OHTMRJNPYFAUEQ-UHFFFAOYSA-N 1 2 416.934 3.729 50 0 HHAALO O=C(Cc1cccs1)N1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172412 569189734 /nfs/dbraw/zinc/18/97/34/569189734.db2.gz OHTMRJNPYFAUEQ-UHFFFAOYSA-N 1 2 416.934 3.729 50 0 HHAALO O=S(=O)(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000036700406 569222836 /nfs/dbraw/zinc/22/28/36/569222836.db2.gz QFZMRMLGYRXQIP-INIZCTEOSA-N 1 2 414.980 3.534 50 0 HHAALO O=S(=O)(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000036700406 569222837 /nfs/dbraw/zinc/22/28/37/569222837.db2.gz QFZMRMLGYRXQIP-INIZCTEOSA-N 1 2 414.980 3.534 50 0 HHAALO CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 ZINC000170616891 569247587 /nfs/dbraw/zinc/24/75/87/569247587.db2.gz PTQICLHGDRUWCO-YVEFUNNKSA-N 1 2 420.535 3.794 50 0 HHAALO CC1CC[NH+](Cc2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)CC1 ZINC000014528012 569260394 /nfs/dbraw/zinc/26/03/94/569260394.db2.gz FALDBXPIHBTZMV-UHFFFAOYSA-N 1 2 420.966 3.787 50 0 HHAALO Cc1nc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nn1-c1ccc(F)cc1 ZINC000089718067 569263103 /nfs/dbraw/zinc/26/31/03/569263103.db2.gz LVDIBFOZMWAXBI-UHFFFAOYSA-N 1 2 414.444 3.882 50 0 HHAALO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000252479409 569288944 /nfs/dbraw/zinc/28/89/44/569288944.db2.gz BEHQSWFYYCUMRT-VIFPVBQESA-N 1 2 417.094 3.578 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)CC2 ZINC000007677203 569300283 /nfs/dbraw/zinc/30/02/83/569300283.db2.gz PIOAEKZFDIAJAL-UHFFFAOYSA-N 1 2 420.513 3.503 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)CC2 ZINC000007677203 569300284 /nfs/dbraw/zinc/30/02/84/569300284.db2.gz PIOAEKZFDIAJAL-UHFFFAOYSA-N 1 2 420.513 3.503 50 0 HHAALO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000007918608 569321812 /nfs/dbraw/zinc/32/18/12/569321812.db2.gz ODNQEDQDDUIVNJ-UHFFFAOYSA-N 1 2 421.463 3.851 50 0 HHAALO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000007918608 569321813 /nfs/dbraw/zinc/32/18/13/569321813.db2.gz ODNQEDQDDUIVNJ-UHFFFAOYSA-N 1 2 421.463 3.851 50 0 HHAALO CCCOc1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793232 569430120 /nfs/dbraw/zinc/43/01/20/569430120.db2.gz WTWLLGSJJDBDEY-UHFFFAOYSA-N 1 2 405.542 3.943 50 0 HHAALO COc1ccccc1CNc1c(C(=O)N2CCOCC2)c[nH+]c2ccc(Cl)cc21 ZINC000067288324 571066287 /nfs/dbraw/zinc/06/62/87/571066287.db2.gz FFKFVNHGFRPQGG-UHFFFAOYSA-N 1 2 411.889 3.981 50 0 HHAALO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533047 571075097 /nfs/dbraw/zinc/07/50/97/571075097.db2.gz ILKULLKIIQCWNC-GFCCVEGCSA-N 1 2 414.556 3.663 50 0 HHAALO O=S(=O)(c1nc(-c2ccccc2)oc1NCCCn1cc[nH+]c1)c1ccccc1 ZINC000008844601 571125215 /nfs/dbraw/zinc/12/52/15/571125215.db2.gz PTJCTTHXHWIAGI-UHFFFAOYSA-N 1 2 408.483 3.873 50 0 HHAALO CS(=O)(=O)N1CCCc2cc(-c3csc(Cc4cn5ccccc5[nH+]4)n3)ccc21 ZINC000040040185 571142299 /nfs/dbraw/zinc/14/22/99/571142299.db2.gz MLOJQRAAOAUUMK-UHFFFAOYSA-N 1 2 424.551 3.761 50 0 HHAALO FC(F)(F)c1ccc(N2CCC[N@H+](Cc3csc(-c4ncccn4)n3)CC2)nc1 ZINC000040153361 571201028 /nfs/dbraw/zinc/20/10/28/571201028.db2.gz AHVINEQQKMLHIX-UHFFFAOYSA-N 1 2 420.464 3.726 50 0 HHAALO FC(F)(F)c1ccc(N2CCC[N@@H+](Cc3csc(-c4ncccn4)n3)CC2)nc1 ZINC000040153361 571201032 /nfs/dbraw/zinc/20/10/32/571201032.db2.gz AHVINEQQKMLHIX-UHFFFAOYSA-N 1 2 420.464 3.726 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000009575973 571269721 /nfs/dbraw/zinc/26/97/21/571269721.db2.gz OBNGMOVJZSGNNZ-UHFFFAOYSA-N 1 2 414.494 3.544 50 0 HHAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)n(-c2ccc(C)cc2)n1 ZINC000009586981 571271404 /nfs/dbraw/zinc/27/14/04/571271404.db2.gz QBGFEALKMXYOFJ-UHFFFAOYSA-N 1 2 414.513 3.745 50 0 HHAALO Cc1cc(NC(=O)C[N@H+](C)Cc2cnn(-c3ccccc3)c2)n(-c2ccc(C)cc2)n1 ZINC000009586981 571271406 /nfs/dbraw/zinc/27/14/06/571271406.db2.gz QBGFEALKMXYOFJ-UHFFFAOYSA-N 1 2 414.513 3.745 50 0 HHAALO Cc1c(C(=O)NCc2ccc(C)cc2)sc2[nH]c(C[NH+]3CCCCC3)nc(=O)c12 ZINC000009684839 571279603 /nfs/dbraw/zinc/27/96/03/571279603.db2.gz PHKSFEDWPQBQIG-UHFFFAOYSA-N 1 2 410.543 3.517 50 0 HHAALO CCCCc1ncc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3OC)CC2)[nH]1 ZINC000011785234 962190507 /nfs/dbraw/zinc/19/05/07/962190507.db2.gz BGYBSVAVBCFXPZ-OAQYLSRUSA-N 1 2 424.589 3.722 50 0 HHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 ZINC000011934797 962209560 /nfs/dbraw/zinc/20/95/60/962209560.db2.gz SQQAOBPPPWUNQG-SFHVURJKSA-N 1 2 406.534 3.645 50 0 HHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 ZINC000011934797 962209574 /nfs/dbraw/zinc/20/95/74/962209574.db2.gz SQQAOBPPPWUNQG-SFHVURJKSA-N 1 2 406.534 3.645 50 0 HHAALO CCOc1cc(C[N@@H+]2CCc3c(cnc(C)c3CNC(=O)c3ccco3)C2)ccc1O ZINC000012052991 962230039 /nfs/dbraw/zinc/23/00/39/962230039.db2.gz FMKCZJQUKIDWAJ-UHFFFAOYSA-N 1 2 421.497 3.576 50 0 HHAALO CCOc1cc(C[N@H+]2CCc3c(cnc(C)c3CNC(=O)c3ccco3)C2)ccc1O ZINC000012052991 962230048 /nfs/dbraw/zinc/23/00/48/962230048.db2.gz FMKCZJQUKIDWAJ-UHFFFAOYSA-N 1 2 421.497 3.576 50 0 HHAALO COc1cc(/C=C\C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1OC(C)C ZINC000096822795 969052065 /nfs/dbraw/zinc/05/20/65/969052065.db2.gz KFMGMLZHECSODL-BENRWUELSA-N 1 2 424.541 3.719 50 0 HHAALO CC(C)C[N@@H+]1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccccn1)CC2 ZINC000169763833 970472487 /nfs/dbraw/zinc/47/24/87/970472487.db2.gz OTEAVEOMDSBZTL-UHFFFAOYSA-N 1 2 415.541 3.870 50 0 HHAALO CC(C)C[N@H+]1Cc2ccccc2-n2ccnc2C12CCN(C(=O)c1ccccn1)CC2 ZINC000169763833 970472492 /nfs/dbraw/zinc/47/24/92/970472492.db2.gz OTEAVEOMDSBZTL-UHFFFAOYSA-N 1 2 415.541 3.870 50 0 HHAALO COc1cccc(C[N@@H+]2CCOc3ccc([C@H](O)c4ccncc4)cc3C2)c1OC ZINC000299766509 970722718 /nfs/dbraw/zinc/72/27/18/970722718.db2.gz DRVBPGFJGKYJAK-HSZRJFAPSA-N 1 2 406.482 3.575 50 0 HHAALO COc1cccc(C[N@H+]2CCOc3ccc([C@H](O)c4ccncc4)cc3C2)c1OC ZINC000299766509 970722726 /nfs/dbraw/zinc/72/27/26/970722726.db2.gz DRVBPGFJGKYJAK-HSZRJFAPSA-N 1 2 406.482 3.575 50 0 HHAALO O=C(c1c(F)cccc1Cl)N1C[C@@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000409421376 972890756 /nfs/dbraw/zinc/89/07/56/972890756.db2.gz PLAFCTVRFRRSOM-HNNXBMFYSA-N 1 2 404.869 3.822 50 0 HHAALO O=C(CC[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012204533 132356738 /nfs/dbraw/zinc/35/67/38/132356738.db2.gz YBNTUXOIOGSLCP-QFIPXVFZSA-N 1 2 424.589 3.640 50 0 HHAALO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012550468 132363050 /nfs/dbraw/zinc/36/30/50/132363050.db2.gz MTYYDOWZPGBDOC-FQEVSTJZSA-N 1 2 403.448 3.847 50 0 HHAALO CC(C)Cn1c(C[N@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cnc1S(C)(=O)=O ZINC000020600815 519485228 /nfs/dbraw/zinc/48/52/28/519485228.db2.gz HSVGOHYJKLEKEK-QFIPXVFZSA-N 1 2 403.592 3.742 50 0 HHAALO CC(C)Cn1c(C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cnc1S(C)(=O)=O ZINC000020600815 519485236 /nfs/dbraw/zinc/48/52/36/519485236.db2.gz HSVGOHYJKLEKEK-QFIPXVFZSA-N 1 2 403.592 3.742 50 0 HHAALO CCOc1ccc(C(=O)N[C@@H](C(=O)OCc2cn3cc(C)ccc3[nH+]2)C(C)C)cc1 ZINC000032829713 520912749 /nfs/dbraw/zinc/91/27/49/520912749.db2.gz SOLITMXZOFIPEF-OAQYLSRUSA-N 1 2 409.486 3.539 50 0 HHAALO COc1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000032720258 524061993 /nfs/dbraw/zinc/06/19/93/524061993.db2.gz FSTTYKFEDJLQIC-LJQANCHMSA-N 1 2 406.530 3.634 50 0 HHAALO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000032720258 524061994 /nfs/dbraw/zinc/06/19/94/524061994.db2.gz FSTTYKFEDJLQIC-LJQANCHMSA-N 1 2 406.530 3.634 50 0 HHAALO Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000032930761 524904913 /nfs/dbraw/zinc/90/49/13/524904913.db2.gz BDRLCEFLVGLNMY-KRWDZBQOSA-N 1 2 417.937 3.744 50 0 HHAALO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000032637782 525938064 /nfs/dbraw/zinc/93/80/64/525938064.db2.gz RAWHTCDLJQSBOO-ZDUSSCGKSA-N 1 2 422.298 3.667 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000001798120 557288951 /nfs/dbraw/zinc/28/89/51/557288951.db2.gz VYFIWNLKDKJWRQ-HMMYKYKNSA-N 1 2 408.889 3.514 50 0 HHAALO Cc1ccccc1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N3CCCCC3)c2C1 ZINC000034679170 557367529 /nfs/dbraw/zinc/36/75/29/557367529.db2.gz MZWXPKYFZVZSFM-UHFFFAOYSA-N 1 2 405.546 3.574 50 0 HHAALO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCn4cc[nH+]c4)c3n2)cc1 ZINC000002770393 557383538 /nfs/dbraw/zinc/38/35/38/557383538.db2.gz SRPLOFQXWUKECU-UHFFFAOYSA-N 1 2 410.428 3.659 50 0 HHAALO CC[C@H](C(=O)N1CCc2[nH+]c(N3CCC(C)CC3)nc(N(C)C)c2C1)c1ccccc1 ZINC000034756310 557458755 /nfs/dbraw/zinc/45/87/55/557458755.db2.gz IWCYLFJMXVVNBH-FQEVSTJZSA-N 1 2 421.589 3.857 50 0 HHAALO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000022925446 558271402 /nfs/dbraw/zinc/27/14/02/558271402.db2.gz XLXJSIMWPUVNJS-OAQYLSRUSA-N 1 2 401.913 3.617 50 0 HHAALO CCC(=O)c1c(-c2ccccc2)nc2n(CC[NH+]3CCOCC3)c3ccccc3n21 ZINC000019757399 558274763 /nfs/dbraw/zinc/27/47/63/558274763.db2.gz NNYAYDQQXIGIDA-UHFFFAOYSA-N 1 2 402.498 3.881 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc1OC ZINC000019781589 558281103 /nfs/dbraw/zinc/28/11/03/558281103.db2.gz JPXLPDZXCKWPRR-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO COc1ccc(CN2CC[NH+](Cc3ccccc3Br)CC2)cc1OC ZINC000019781589 558281105 /nfs/dbraw/zinc/28/11/05/558281105.db2.gz JPXLPDZXCKWPRR-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1 ZINC000011817813 558281163 /nfs/dbraw/zinc/28/11/63/558281163.db2.gz FRHNSAIWLQSQOG-UHFFFAOYSA-N 1 2 423.521 3.589 50 0 HHAALO CCCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC[NH+]1CCOCC1 ZINC000019797155 558284552 /nfs/dbraw/zinc/28/45/52/558284552.db2.gz FNJPYEPIMGVCAW-UHFFFAOYSA-N 1 2 415.584 3.959 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc(OC)c1 ZINC000019832138 558291999 /nfs/dbraw/zinc/29/19/99/558291999.db2.gz TZALTNKAWXXILV-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO COc1cc(CN2CC[NH+](Cc3ccccc3Br)CC2)cc(OC)c1 ZINC000019832138 558292002 /nfs/dbraw/zinc/29/20/02/558292002.db2.gz TZALTNKAWXXILV-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO O=C(NCCSCc1ccccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020238783 558350827 /nfs/dbraw/zinc/35/08/27/558350827.db2.gz RUTUFTVGTYLXII-UHFFFAOYSA-N 1 2 404.963 3.835 50 0 HHAALO CSc1nc2sc3c(c2c(SCC(=O)Nc2nccs2)n1)CC[N@@H+](C)C3 ZINC000020358887 558358132 /nfs/dbraw/zinc/35/81/32/558358132.db2.gz BEHSMSXATMDCRI-UHFFFAOYSA-N 1 2 423.614 3.588 50 0 HHAALO CSc1nc2sc3c(c2c(SCC(=O)Nc2nccs2)n1)CC[N@H+](C)C3 ZINC000020358887 558358133 /nfs/dbraw/zinc/35/81/33/558358133.db2.gz BEHSMSXATMDCRI-UHFFFAOYSA-N 1 2 423.614 3.588 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)n2)c(OC)c1OC ZINC000012304632 558373871 /nfs/dbraw/zinc/37/38/71/558373871.db2.gz AUGNOFRCZZDEFV-QGZVFWFLSA-N 1 2 410.474 3.885 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3c3ccccn3)n2)c(OC)c1OC ZINC000012304632 558373874 /nfs/dbraw/zinc/37/38/74/558373874.db2.gz AUGNOFRCZZDEFV-QGZVFWFLSA-N 1 2 410.474 3.885 50 0 HHAALO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000012314618 558378012 /nfs/dbraw/zinc/37/80/12/558378012.db2.gz INXNTISUUPJZOG-UHFFFAOYSA-N 1 2 415.559 3.595 50 0 HHAALO O=S(=O)(c1cc(F)ccc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020533984 558385299 /nfs/dbraw/zinc/38/52/99/558385299.db2.gz OOMHZGSGAGAESJ-UHFFFAOYSA-N 1 2 402.466 3.625 50 0 HHAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)n1CCc1ccccc1 ZINC000012444949 558413538 /nfs/dbraw/zinc/41/35/38/558413538.db2.gz AACRXPVMSJYUSI-SFTDATJTSA-N 1 2 415.603 3.932 50 0 HHAALO CCS(=O)(=O)c1ncc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)n1CCc1ccccc1 ZINC000012444949 558413540 /nfs/dbraw/zinc/41/35/40/558413540.db2.gz AACRXPVMSJYUSI-SFTDATJTSA-N 1 2 415.603 3.932 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)Nc1nccs1 ZINC000004341661 558425254 /nfs/dbraw/zinc/42/52/54/558425254.db2.gz DPBJFQXEZQEMQM-UHFFFAOYSA-N 1 2 402.892 3.656 50 0 HHAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1ccc(Br)cc1)[nH]c2=O ZINC000021920817 558455333 /nfs/dbraw/zinc/45/53/33/558455333.db2.gz QSBWFKZWQTVKGE-UHFFFAOYSA-N 1 2 416.275 3.517 50 0 HHAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1ccc(Br)cc1)[nH]c2=O ZINC000021920817 558455335 /nfs/dbraw/zinc/45/53/35/558455335.db2.gz QSBWFKZWQTVKGE-UHFFFAOYSA-N 1 2 416.275 3.517 50 0 HHAALO COc1cc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc(OC)c1 ZINC000022801269 558513230 /nfs/dbraw/zinc/51/32/30/558513230.db2.gz RLLYRULUOYLMPU-CQSZACIVSA-N 1 2 423.966 3.564 50 0 HHAALO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1Br ZINC000022914954 558521433 /nfs/dbraw/zinc/52/14/33/558521433.db2.gz QGKPKYRGYXXKNL-UHFFFAOYSA-N 1 2 408.365 3.575 50 0 HHAALO OCC[C@@H]1C[N@H+](CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1ccsc1 ZINC000022919382 558522294 /nfs/dbraw/zinc/52/22/94/558522294.db2.gz QCDPANCERHKOSZ-HXUWFJFHSA-N 1 2 404.963 3.746 50 0 HHAALO OCC[C@@H]1C[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1ccsc1 ZINC000022919382 558522295 /nfs/dbraw/zinc/52/22/95/558522295.db2.gz QCDPANCERHKOSZ-HXUWFJFHSA-N 1 2 404.963 3.746 50 0 HHAALO CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000022931084 558524193 /nfs/dbraw/zinc/52/41/93/558524193.db2.gz BKWHVZCWAINDJD-UHFFFAOYSA-N 1 2 405.951 3.751 50 0 HHAALO CC(=O)c1ccc(NC(=O)CCN2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000022931084 558524196 /nfs/dbraw/zinc/52/41/96/558524196.db2.gz BKWHVZCWAINDJD-UHFFFAOYSA-N 1 2 405.951 3.751 50 0 HHAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022932772 558525077 /nfs/dbraw/zinc/52/50/77/558525077.db2.gz GMPZRIQJPXMLQF-IBGZPJMESA-N 1 2 411.571 3.764 50 0 HHAALO CCOc1ccccc1C[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022932772 558525079 /nfs/dbraw/zinc/52/50/79/558525079.db2.gz GMPZRIQJPXMLQF-IBGZPJMESA-N 1 2 411.571 3.764 50 0 HHAALO CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CCCO)[nH+]c2ccccc21 ZINC000013425395 558532369 /nfs/dbraw/zinc/53/23/69/558532369.db2.gz LCZOFQVHNCDVAG-UHFFFAOYSA-N 1 2 409.530 3.723 50 0 HHAALO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050123 558586912 /nfs/dbraw/zinc/58/69/12/558586912.db2.gz PTOSEEHVLYGPPB-UHFFFAOYSA-N 1 2 416.403 3.992 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000014129418 558623929 /nfs/dbraw/zinc/62/39/29/558623929.db2.gz MNNKYMPQPCVPNM-IRXDYDNUSA-N 1 2 407.543 3.946 50 0 HHAALO CC[C@@H](c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1Cc1ccccc1)[NH+](C)C ZINC000024985308 558624890 /nfs/dbraw/zinc/62/48/90/558624890.db2.gz SHBSAXMKATXKBM-HKUYNNGSSA-N 1 2 415.607 3.690 50 0 HHAALO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000028290239 558696652 /nfs/dbraw/zinc/69/66/52/558696652.db2.gz BNLJYIITKMYPKG-DEOSSOPVSA-N 1 2 410.558 3.941 50 0 HHAALO C[N@H+](CC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1)Cc1ccncc1 ZINC000015062216 558705161 /nfs/dbraw/zinc/70/51/61/558705161.db2.gz YMUFRAYWGKSXIY-QHCPKHFHSA-N 1 2 401.510 3.788 50 0 HHAALO C[N@@H+](CC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1)Cc1ccncc1 ZINC000015062216 558705162 /nfs/dbraw/zinc/70/51/62/558705162.db2.gz YMUFRAYWGKSXIY-QHCPKHFHSA-N 1 2 401.510 3.788 50 0 HHAALO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCN(C(=O)c4ccco4)CC3)ccc2c1 ZINC000015065778 558708630 /nfs/dbraw/zinc/70/86/30/558708630.db2.gz WALQCWWHWZGNGS-UHFFFAOYSA-N 1 2 416.481 3.790 50 0 HHAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc2c(cc1Cl)OCCO2 ZINC000029114518 558710184 /nfs/dbraw/zinc/71/01/84/558710184.db2.gz UEMXKSGVVNIJNY-CQSZACIVSA-N 1 2 422.934 3.792 50 0 HHAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc2c(cc1Cl)OCCO2 ZINC000029114518 558710186 /nfs/dbraw/zinc/71/01/86/558710186.db2.gz UEMXKSGVVNIJNY-CQSZACIVSA-N 1 2 422.934 3.792 50 0 HHAALO COc1cccc([C@H](NC(=O)NCCOc2ccc(Cl)cc2)c2[nH+]ccn2C)c1 ZINC000029317576 558713160 /nfs/dbraw/zinc/71/31/60/558713160.db2.gz GAISXBBIGZYJHR-IBGZPJMESA-N 1 2 414.893 3.550 50 0 HHAALO COc1cccc([C@@H](NC(=O)N[C@@H](C)c2cc(C)ccc2OC)c2[nH+]ccn2C)c1 ZINC000029332474 558713738 /nfs/dbraw/zinc/71/37/38/558713738.db2.gz PBPSCTHOWZCVBQ-HRAATJIYSA-N 1 2 408.502 3.896 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCOc1ccccc1F)c1ccc(Cl)cc1 ZINC000029728142 558719490 /nfs/dbraw/zinc/71/94/90/558719490.db2.gz IBBBPIINKUFROX-SFHVURJKSA-N 1 2 402.857 3.680 50 0 HHAALO COc1cc(OC)cc([C@H](NC(=O)c2cc(Cl)c(Cl)n2C)c2[nH+]ccn2C)c1 ZINC000030587073 558733580 /nfs/dbraw/zinc/73/35/80/558733580.db2.gz ASEGXNJEWZHHPL-INIZCTEOSA-N 1 2 423.300 3.602 50 0 HHAALO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000072304879 558757569 /nfs/dbraw/zinc/75/75/69/558757569.db2.gz PECNQGPOEVIGGX-UHFFFAOYSA-N 1 2 406.448 3.823 50 0 HHAALO C[C@H]1Cc2cccc3c2n1cc(C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c3=O ZINC000033089153 558760896 /nfs/dbraw/zinc/76/08/96/558760896.db2.gz UCLPDTIUGHSNKE-AIADIJKESA-N 1 2 413.521 3.590 50 0 HHAALO CC1CC[NH+](Cc2csc(NC(=O)CCCn3c(=O)oc4ccccc43)n2)CC1 ZINC000032988444 558808268 /nfs/dbraw/zinc/80/82/68/558808268.db2.gz VPLNHQGQOHZWFJ-UHFFFAOYSA-N 1 2 414.531 3.702 50 0 HHAALO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000019222358 558852205 /nfs/dbraw/zinc/85/22/05/558852205.db2.gz MYTKPIAPOTZWIR-JOCHJYFZSA-N 1 2 410.949 3.799 50 0 HHAALO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CCN1Cc1ccccc1 ZINC000019222358 558852206 /nfs/dbraw/zinc/85/22/06/558852206.db2.gz MYTKPIAPOTZWIR-JOCHJYFZSA-N 1 2 410.949 3.799 50 0 HHAALO COc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)CC2=O)c1 ZINC000058138799 558901294 /nfs/dbraw/zinc/90/12/94/558901294.db2.gz LXYJDJOZGWCKFC-AWEZNQCLSA-N 1 2 410.861 3.526 50 0 HHAALO O=C(COc1cccnc1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000058377891 558922811 /nfs/dbraw/zinc/92/28/11/558922811.db2.gz NXAGCDRKDGLXKR-UHFFFAOYSA-N 1 2 411.502 3.672 50 0 HHAALO CC(C)(C)n1nc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)cc1C1CC1 ZINC000058406081 558924383 /nfs/dbraw/zinc/92/43/83/558924383.db2.gz JQHDSNKYZREUJI-UHFFFAOYSA-N 1 2 416.323 3.856 50 0 HHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000058427843 558926170 /nfs/dbraw/zinc/92/61/70/558926170.db2.gz VVIVFNQBYGCAAP-RCBQFDQVSA-N 1 2 410.308 3.526 50 0 HHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000058427843 558926172 /nfs/dbraw/zinc/92/61/72/558926172.db2.gz VVIVFNQBYGCAAP-RCBQFDQVSA-N 1 2 410.308 3.526 50 0 HHAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CCCCC1 ZINC000072137380 558928683 /nfs/dbraw/zinc/92/86/83/558928683.db2.gz YEEHFHPGIIUKTO-HSZRJFAPSA-N 1 2 421.541 3.618 50 0 HHAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CCCCC1 ZINC000072137380 558928686 /nfs/dbraw/zinc/92/86/86/558928686.db2.gz YEEHFHPGIIUKTO-HSZRJFAPSA-N 1 2 421.541 3.618 50 0 HHAALO COc1ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3cccs3)nc2c1 ZINC000022997514 558981834 /nfs/dbraw/zinc/98/18/34/558981834.db2.gz BGDVENXHXDUBBG-UHFFFAOYSA-N 1 2 417.556 3.736 50 0 HHAALO O=C(Cc1ccccc1)N(CCC[NH+]1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997730 558982063 /nfs/dbraw/zinc/98/20/63/558982063.db2.gz FPYMBKFNUKBMEX-UHFFFAOYSA-N 1 2 413.518 3.733 50 0 HHAALO O=C1C([C@@H](c2ccc(F)cc2)N2CC[NH+](Cc3ccccc3)CC2)Sc2ncnn21 ZINC000022031295 558985401 /nfs/dbraw/zinc/98/54/01/558985401.db2.gz PRONCPIUCMQTJC-LJQANCHMSA-N 1 2 423.517 3.543 50 0 HHAALO CCOc1ccccc1[C@H]1C(C(=O)N2CCOCC2)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000004786700 559064165 /nfs/dbraw/zinc/06/41/65/559064165.db2.gz CVLCYZVHKBMBGE-QFIPXVFZSA-N 1 2 418.497 3.583 50 0 HHAALO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000023248936 559068224 /nfs/dbraw/zinc/06/82/24/559068224.db2.gz ZJHRSEKALHUVOW-RDPSFJRHSA-N 1 2 403.526 3.889 50 0 HHAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000011665931 559147311 /nfs/dbraw/zinc/14/73/11/559147311.db2.gz HZYHQBGPXPBZGY-UHFFFAOYSA-N 1 2 422.577 3.539 50 0 HHAALO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000023889731 559182010 /nfs/dbraw/zinc/18/20/10/559182010.db2.gz DIWAERGWCJFOPV-UHFFFAOYSA-N 1 2 424.526 3.608 50 0 HHAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000005428370 560585963 /nfs/dbraw/zinc/58/59/63/560585963.db2.gz GQLRENDWKGVWJH-OXJNMPFZSA-N 1 2 408.498 3.572 50 0 HHAALO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@@H]1CC(=O)N(c3cccc(C)c3C)C1=O)CC2 ZINC000005428370 560585965 /nfs/dbraw/zinc/58/59/65/560585965.db2.gz GQLRENDWKGVWJH-OXJNMPFZSA-N 1 2 408.498 3.572 50 0 HHAALO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000051060231 560759325 /nfs/dbraw/zinc/75/93/25/560759325.db2.gz XSYLHXPOLNNCHO-KBPBESRZSA-N 1 2 400.350 3.949 50 0 HHAALO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000051060231 560759326 /nfs/dbraw/zinc/75/93/26/560759326.db2.gz XSYLHXPOLNNCHO-KBPBESRZSA-N 1 2 400.350 3.949 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000100878988 560761866 /nfs/dbraw/zinc/76/18/66/560761866.db2.gz LDLNTYIVGRZWTB-GGAORHGYSA-N 1 2 411.461 3.786 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cn3c4ccccc4oc3=S)CC2)cc1 ZINC000015286638 560854060 /nfs/dbraw/zinc/85/40/60/560854060.db2.gz VEZKGIBUPKZYFO-UHFFFAOYSA-N 1 2 417.556 3.626 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cn3c4ccccc4oc3=S)CC2)cc1 ZINC000015286638 560854062 /nfs/dbraw/zinc/85/40/62/560854062.db2.gz VEZKGIBUPKZYFO-UHFFFAOYSA-N 1 2 417.556 3.626 50 0 HHAALO C[C@]12CC[C@@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@H]3[C@H]1CCC2=O ZINC000105365677 560870949 /nfs/dbraw/zinc/87/09/49/560870949.db2.gz PAEWODTUFUTSCJ-XAISMOLKSA-N 1 2 411.542 3.740 50 0 biogenic HHAALO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907457 568415830 /nfs/dbraw/zinc/41/58/30/568415830.db2.gz HWYJPMKMNMCPKX-JOCHJYFZSA-N 1 2 417.509 3.696 50 0 HHAALO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907457 568415831 /nfs/dbraw/zinc/41/58/31/568415831.db2.gz HWYJPMKMNMCPKX-JOCHJYFZSA-N 1 2 417.509 3.696 50 0 HHAALO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000048234862 568432694 /nfs/dbraw/zinc/43/26/94/568432694.db2.gz URIIDGMGNJNRLG-CALCHBBNSA-N 1 2 420.513 3.518 50 0 HHAALO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000049403473 568448358 /nfs/dbraw/zinc/44/83/58/568448358.db2.gz CYAXGYBMFVBWKX-UHFFFAOYSA-N 1 2 410.449 3.702 50 0 HHAALO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000014934338 568456347 /nfs/dbraw/zinc/45/63/47/568456347.db2.gz SAMRUUFYMFDEBL-UHFFFAOYSA-N 1 2 414.355 3.661 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000014934338 568456348 /nfs/dbraw/zinc/45/63/48/568456348.db2.gz SAMRUUFYMFDEBL-UHFFFAOYSA-N 1 2 414.355 3.661 50 0 HHAALO CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(C)cc2)c1NCCCn1cc[nH+]c1 ZINC000020388600 568603955 /nfs/dbraw/zinc/60/39/55/568603955.db2.gz AJNKNLXSUZXKTE-UHFFFAOYSA-N 1 2 418.501 3.913 50 0 HHAALO C[NH+]1CCN(C2(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)CCCC2)CC1 ZINC000095405483 568605957 /nfs/dbraw/zinc/60/59/57/568605957.db2.gz BBLKBGOHDRAHHT-UHFFFAOYSA-N 1 2 411.521 3.794 50 0 HHAALO CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000095453972 568616151 /nfs/dbraw/zinc/61/61/51/568616151.db2.gz XEBKMVOAVUHRJV-KRWDZBQOSA-N 1 2 418.582 3.551 50 0 HHAALO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)c[nH+]c1N1CCCCC1 ZINC000095464873 568622676 /nfs/dbraw/zinc/62/26/76/568622676.db2.gz XREAIDHVGXDHJN-OAQYLSRUSA-N 1 2 406.530 3.553 50 0 HHAALO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c[nH+]c1N1CCCCC1 ZINC000095464872 568622873 /nfs/dbraw/zinc/62/28/73/568622873.db2.gz XREAIDHVGXDHJN-NRFANRHFSA-N 1 2 406.530 3.553 50 0 HHAALO Cc1ncc(C[NH+]2CCSCC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095478952 568631871 /nfs/dbraw/zinc/63/18/71/568631871.db2.gz PDARZAMUIYEDAK-UHFFFAOYSA-N 1 2 410.495 3.687 50 0 HHAALO CCn1cc[nH+]c1CN(C(=O)C(C)C)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225669131 568662211 /nfs/dbraw/zinc/66/22/11/568662211.db2.gz KNJRCZOOZMMQJL-QGZVFWFLSA-N 1 2 404.555 3.677 50 0 HHAALO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc1)[C@H](C)C2 ZINC000096003369 568681821 /nfs/dbraw/zinc/68/18/21/568681821.db2.gz GDRMGUPOCQNIFM-ZHRRBRCNSA-N 1 2 421.522 3.854 50 0 HHAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc(F)cc1 ZINC000096317024 568726212 /nfs/dbraw/zinc/72/62/12/568726212.db2.gz HUTXKZIBNDDXJL-UHFFFAOYSA-N 1 2 410.537 3.951 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(OC)c1 ZINC000096317563 568726782 /nfs/dbraw/zinc/72/67/82/568726782.db2.gz KSQTWZQDULLLRL-UHFFFAOYSA-N 1 2 410.562 3.642 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1cccc(OC)c1 ZINC000096317562 568726798 /nfs/dbraw/zinc/72/67/98/568726798.db2.gz OHQLYEUKGQBZCK-UHFFFAOYSA-N 1 2 420.513 3.502 50 0 HHAALO CC(=O)Nc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000904721 568749623 /nfs/dbraw/zinc/74/96/23/568749623.db2.gz BRZSXNXVKIRZGQ-UHFFFAOYSA-N 1 2 418.482 3.505 50 0 HHAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)[nH+]c(C)n2)cc1 ZINC000021793937 568753225 /nfs/dbraw/zinc/75/32/25/568753225.db2.gz SNISTDHNDQQTJE-UHFFFAOYSA-N 1 2 405.477 3.939 50 0 HHAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000028731039 568804862 /nfs/dbraw/zinc/80/48/62/568804862.db2.gz HSPPQZKLKPXMJC-WMZOPIPTSA-N 1 2 418.559 3.624 50 0 HHAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000028731039 568804864 /nfs/dbraw/zinc/80/48/64/568804864.db2.gz HSPPQZKLKPXMJC-WMZOPIPTSA-N 1 2 418.559 3.624 50 0 HHAALO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccccc1F ZINC000056949978 568822163 /nfs/dbraw/zinc/82/21/63/568822163.db2.gz FGJPYCPXFMMPCZ-UHFFFAOYSA-N 1 2 412.436 3.819 50 0 HHAALO COc1cc(C(C)=O)ccc1OCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000057156138 568824802 /nfs/dbraw/zinc/82/48/02/568824802.db2.gz UIQGFAVGNLAOQI-UHFFFAOYSA-N 1 2 411.527 3.709 50 0 HHAALO Fc1ccc(-c2nnc(C[NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)o2)cc1 ZINC000005937172 568830335 /nfs/dbraw/zinc/83/03/35/568830335.db2.gz UFRFVNQCHNDSJH-UHFFFAOYSA-N 1 2 407.371 3.612 50 0 HHAALO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057406240 568832731 /nfs/dbraw/zinc/83/27/31/568832731.db2.gz OYKFVRLCOFSPNQ-DNBYOKIBSA-N 1 2 401.982 3.936 50 0 HHAALO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406131 568832834 /nfs/dbraw/zinc/83/28/34/568832834.db2.gz JDUSKWGUSZLCPF-FQEVSTJZSA-N 1 2 415.537 3.809 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)NC(=O)NC1CCCCC1 ZINC000057473865 568839307 /nfs/dbraw/zinc/83/93/07/568839307.db2.gz UCGFHLPEAQNSIJ-KRWDZBQOSA-N 1 2 400.548 3.982 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)NC(=O)NC1CCCCC1 ZINC000057473865 568839308 /nfs/dbraw/zinc/83/93/08/568839308.db2.gz UCGFHLPEAQNSIJ-KRWDZBQOSA-N 1 2 400.548 3.982 50 0 HHAALO O=C(CCc1nc2ccccc2[nH]1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012547294 568850830 /nfs/dbraw/zinc/85/08/30/568850830.db2.gz PTENXWSVVCIVBW-UHFFFAOYSA-N 1 2 416.447 3.859 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000057568013 568853894 /nfs/dbraw/zinc/85/38/94/568853894.db2.gz ZPGVHNOBKWVNSG-FQEVSTJZSA-N 1 2 422.573 3.835 50 0 HHAALO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc(Cl)c1OC ZINC000012559118 568856931 /nfs/dbraw/zinc/85/69/31/568856931.db2.gz HMZFMOJFAVWXHF-QGZVFWFLSA-N 1 2 403.841 3.749 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000012568925 568861043 /nfs/dbraw/zinc/86/10/43/568861043.db2.gz WRBABSALUDNGGK-UHFFFAOYSA-N 1 2 414.560 3.792 50 0 HHAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012581268 568864633 /nfs/dbraw/zinc/86/46/33/568864633.db2.gz OYHBLQBUCMDXHU-KDOFPFPSSA-N 1 2 414.303 3.856 50 0 HHAALO O=C([O-])CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000299800863 568876671 /nfs/dbraw/zinc/87/66/71/568876671.db2.gz WCUMKRZZVZTGQZ-UKILVPOCSA-N 1 2 422.569 3.706 50 0 HHAALO O=C([O-])CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000299800863 568876673 /nfs/dbraw/zinc/87/66/73/568876673.db2.gz WCUMKRZZVZTGQZ-UKILVPOCSA-N 1 2 422.569 3.706 50 0 HHAALO Cc1[nH+]c2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc2n1-c1ccccc1 ZINC000004032336 568878985 /nfs/dbraw/zinc/87/89/85/568878985.db2.gz IQTSOQKGNOKXBL-UHFFFAOYSA-N 1 2 410.433 3.569 50 0 HHAALO O=C1[C@H]2[C@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000004060259 568881216 /nfs/dbraw/zinc/88/12/16/568881216.db2.gz UNKLTRXXWKZTPX-VKWLCTBSSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@H]2[C@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000004060259 568881217 /nfs/dbraw/zinc/88/12/17/568881217.db2.gz UNKLTRXXWKZTPX-VKWLCTBSSA-N 1 2 410.926 3.916 50 0 HHAALO CC(=O)c1cccc(OCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000003524772 568912485 /nfs/dbraw/zinc/91/24/85/568912485.db2.gz UCGLDAVORDUQGV-UHFFFAOYSA-N 1 2 421.522 3.922 50 0 HHAALO CC(=O)c1cccc(OCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000003524772 568912487 /nfs/dbraw/zinc/91/24/87/568912487.db2.gz UCGLDAVORDUQGV-UHFFFAOYSA-N 1 2 421.522 3.922 50 0 HHAALO CCc1nnc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1C ZINC000083834258 568918063 /nfs/dbraw/zinc/91/80/63/568918063.db2.gz PJXKYLQJFPDQAB-MRXNPFEDSA-N 1 2 411.579 3.797 50 0 HHAALO C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000012729126 568921160 /nfs/dbraw/zinc/92/11/60/568921160.db2.gz PPNZLZWTRNBZJI-MRXNPFEDSA-N 1 2 416.547 3.628 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000031834164 568933374 /nfs/dbraw/zinc/93/33/74/568933374.db2.gz FZNOIXLRFHJORG-HXUWFJFHSA-N 1 2 415.534 3.694 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000006445957 568936627 /nfs/dbraw/zinc/93/66/27/568936627.db2.gz GIVOPYHHSKYZIU-HIFRSBDPSA-N 1 2 424.452 3.622 50 0 HHAALO CCc1nc2sc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)c(C)c2c(C)n1 ZINC000012766659 568948725 /nfs/dbraw/zinc/94/87/25/568948725.db2.gz PCNFJOCGJOSXHQ-UHFFFAOYSA-N 1 2 424.570 3.633 50 0 HHAALO COc1ccc(-c2nc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cs2)cc1OC ZINC000012785506 568960003 /nfs/dbraw/zinc/96/00/03/568960003.db2.gz OQPKIMFLEXTQFR-UHFFFAOYSA-N 1 2 424.526 3.753 50 0 HHAALO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000007980187 568963458 /nfs/dbraw/zinc/96/34/58/568963458.db2.gz JEXGMLLKONADOO-QGZVFWFLSA-N 1 2 420.966 3.785 50 0 HHAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000008006034 568967801 /nfs/dbraw/zinc/96/78/01/568967801.db2.gz JSMQUCRWOJHLKH-AWEZNQCLSA-N 1 2 401.894 3.544 50 0 HHAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000008006034 568967804 /nfs/dbraw/zinc/96/78/04/568967804.db2.gz JSMQUCRWOJHLKH-AWEZNQCLSA-N 1 2 401.894 3.544 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 ZINC000008324573 568991067 /nfs/dbraw/zinc/99/10/67/568991067.db2.gz KUNHTSOVQXIFDN-OAQYLSRUSA-N 1 2 420.513 3.974 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 ZINC000008324573 568991071 /nfs/dbraw/zinc/99/10/71/568991071.db2.gz KUNHTSOVQXIFDN-OAQYLSRUSA-N 1 2 420.513 3.974 50 0 HHAALO Cc1ccccc1CN(C)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000008394987 568999237 /nfs/dbraw/zinc/99/92/37/568999237.db2.gz OHSOJSNHINONDU-UHFFFAOYSA-N 1 2 403.511 3.875 50 0 HHAALO C[C@H]1CCN(C(=O)CSc2nnc(C[NH+]3CCCC3)o2)c2ccccc2S1 ZINC000008428822 569002543 /nfs/dbraw/zinc/00/25/43/569002543.db2.gz YYXOZGXIQPMDEQ-AWEZNQCLSA-N 1 2 404.561 3.675 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000012825316 569009302 /nfs/dbraw/zinc/00/93/02/569009302.db2.gz OPYIRRYHOPSITH-UHFFFAOYSA-N 1 2 401.514 3.510 50 0 HHAALO CC[C@H](C(=O)N1CC[NH+](Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC1)c1ccccc1 ZINC000015865387 569016669 /nfs/dbraw/zinc/01/66/69/569016669.db2.gz AJYYAYWCZNWCTM-QFIPXVFZSA-N 1 2 417.553 3.983 50 0 HHAALO Cc1ccccc1OCC[N@@H+](C)CN1C(=O)N[C@](CC(C)C)(c2ccccc2)C1=O ZINC000049574674 569018907 /nfs/dbraw/zinc/01/89/07/569018907.db2.gz MHEKDYYUPLWHAI-XMMPIXPASA-N 1 2 409.530 3.757 50 0 HHAALO Cc1ccccc1OCC[N@H+](C)CN1C(=O)N[C@](CC(C)C)(c2ccccc2)C1=O ZINC000049574674 569018908 /nfs/dbraw/zinc/01/89/08/569018908.db2.gz MHEKDYYUPLWHAI-XMMPIXPASA-N 1 2 409.530 3.757 50 0 HHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cccc(Br)c2)cc1 ZINC000012919688 569022860 /nfs/dbraw/zinc/02/28/60/569022860.db2.gz RKYCVOPPYBVCGK-IBGZPJMESA-N 1 2 403.320 3.561 50 0 HHAALO CCC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC)C2=O ZINC000012936647 569027339 /nfs/dbraw/zinc/02/73/39/569027339.db2.gz XWLKLSDYOKBOJY-VCDSYBKSSA-N 1 2 415.534 3.689 50 0 HHAALO CCC1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC)C2=O ZINC000012936647 569027340 /nfs/dbraw/zinc/02/73/40/569027340.db2.gz XWLKLSDYOKBOJY-VCDSYBKSSA-N 1 2 415.534 3.689 50 0 HHAALO C[N@@H+](Cc1ccsc1)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012937050 569027398 /nfs/dbraw/zinc/02/73/98/569027398.db2.gz KRTHMJPWZSRIQV-QHCPKHFHSA-N 1 2 405.523 3.827 50 0 HHAALO C[N@H+](Cc1ccsc1)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012937050 569027399 /nfs/dbraw/zinc/02/73/99/569027399.db2.gz KRTHMJPWZSRIQV-QHCPKHFHSA-N 1 2 405.523 3.827 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccccc1F ZINC000035404501 569035757 /nfs/dbraw/zinc/03/57/57/569035757.db2.gz LZJIIADPJXACBQ-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1ccccc1F ZINC000035404501 569035758 /nfs/dbraw/zinc/03/57/58/569035758.db2.gz LZJIIADPJXACBQ-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO O=C(N1CCCSC[C@H]1C[NH+]1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000090609110 569042409 /nfs/dbraw/zinc/04/24/09/569042409.db2.gz NAQQCMYNXZANSR-HXUWFJFHSA-N 1 2 423.022 3.818 50 0 HHAALO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012997937 569048390 /nfs/dbraw/zinc/04/83/90/569048390.db2.gz FJTYDIJCRYSDKU-UHFFFAOYSA-N 1 2 410.539 3.745 50 0 HHAALO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000012997937 569048391 /nfs/dbraw/zinc/04/83/91/569048391.db2.gz FJTYDIJCRYSDKU-UHFFFAOYSA-N 1 2 410.539 3.745 50 0 HHAALO CCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000035805472 569060634 /nfs/dbraw/zinc/06/06/34/569060634.db2.gz ZKKKLPDFQACUNH-NPMXOYFQSA-N 1 2 400.494 3.857 50 0 HHAALO CCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000035805472 569060635 /nfs/dbraw/zinc/06/06/35/569060635.db2.gz ZKKKLPDFQACUNH-NPMXOYFQSA-N 1 2 400.494 3.857 50 0 HHAALO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000035804750 569060643 /nfs/dbraw/zinc/06/06/43/569060643.db2.gz BLIBMJBXWOMEPO-QRQCRPRQSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000035804750 569060644 /nfs/dbraw/zinc/06/06/44/569060644.db2.gz BLIBMJBXWOMEPO-QRQCRPRQSA-N 1 2 415.509 3.650 50 0 HHAALO C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000006623723 569075337 /nfs/dbraw/zinc/07/53/37/569075337.db2.gz KWSBBEWXGYPTOC-QGZVFWFLSA-N 1 2 417.465 3.630 50 0 biogenic HHAALO O=S(=O)(NCCn1c(CCc2ccccc2)[nH+]c2ccccc21)c1cccs1 ZINC000064888170 569115378 /nfs/dbraw/zinc/11/53/78/569115378.db2.gz ZRSJQCUQOSZNNU-UHFFFAOYSA-N 1 2 411.552 3.862 50 0 HHAALO CC(C)C(=O)N1CC[NH+]([C@@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252368 569119635 /nfs/dbraw/zinc/11/96/35/569119635.db2.gz WUCQXTAMKZUSRY-XZOQPEGZSA-N 1 2 411.590 3.539 50 0 HHAALO Cc1cccc(CNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000036255255 569120209 /nfs/dbraw/zinc/12/02/09/569120209.db2.gz GNZZDONYSXIFPN-DEOSSOPVSA-N 1 2 419.569 3.628 50 0 HHAALO Cc1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2ccc(Cl)cc2Cl)c(C)[nH+]1 ZINC000006801771 569129495 /nfs/dbraw/zinc/12/94/95/569129495.db2.gz GXXROLAQMUYUCI-UHFFFAOYSA-N 1 2 422.360 3.795 50 0 HHAALO CC[C@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310550 569131818 /nfs/dbraw/zinc/13/18/18/569131818.db2.gz NXOQIHLHLGQYPQ-RXVVDRJESA-N 1 2 400.567 3.557 50 0 HHAALO Cc1noc(C)c1CC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065260004 569210822 /nfs/dbraw/zinc/21/08/22/569210822.db2.gz UHOGMYHMKOHCTD-XMMPIXPASA-N 1 2 421.545 3.883 50 0 HHAALO Cc1oc2c(c1C(=O)NCc1ccc3c(c1)OCO3)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291963 569217729 /nfs/dbraw/zinc/21/77/29/569217729.db2.gz PUBBLEKTVZBWHQ-UHFFFAOYSA-N 1 2 422.456 3.944 50 0 HHAALO Cc1oc2c(c1C(=O)NCc1ccc3c(c1)OCO3)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291963 569217731 /nfs/dbraw/zinc/21/77/31/569217731.db2.gz PUBBLEKTVZBWHQ-UHFFFAOYSA-N 1 2 422.456 3.944 50 0 HHAALO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000007267777 569231072 /nfs/dbraw/zinc/23/10/72/569231072.db2.gz UESYBBFIQSBQIZ-HNNXBMFYSA-N 1 2 407.436 3.623 50 0 HHAALO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000007267777 569231073 /nfs/dbraw/zinc/23/10/73/569231073.db2.gz UESYBBFIQSBQIZ-HNNXBMFYSA-N 1 2 407.436 3.623 50 0 HHAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000065586281 569236333 /nfs/dbraw/zinc/23/63/33/569236333.db2.gz HTPLQZINVWNBKQ-QHCPKHFHSA-N 1 2 417.509 3.914 50 0 HHAALO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000065586281 569236335 /nfs/dbraw/zinc/23/63/35/569236335.db2.gz HTPLQZINVWNBKQ-QHCPKHFHSA-N 1 2 417.509 3.914 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000065610890 569237712 /nfs/dbraw/zinc/23/77/12/569237712.db2.gz BKTVCPJIBHZZQY-UHFFFAOYSA-N 1 2 403.876 3.699 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000007487685 569240956 /nfs/dbraw/zinc/24/09/56/569240956.db2.gz WKDVMJLAESJMAE-GFCCVEGCSA-N 1 2 402.292 3.887 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000007487685 569240957 /nfs/dbraw/zinc/24/09/57/569240957.db2.gz WKDVMJLAESJMAE-GFCCVEGCSA-N 1 2 402.292 3.887 50 0 HHAALO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 ZINC000170616892 569247685 /nfs/dbraw/zinc/24/76/85/569247685.db2.gz PTQICLHGDRUWCO-PXAZEXFGSA-N 1 2 420.535 3.794 50 0 HHAALO CCCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000252626161 569310479 /nfs/dbraw/zinc/31/04/79/569310479.db2.gz QXSPVKVDGTZAMA-JSXRDJHFSA-N 1 2 420.896 3.944 50 0 HHAALO CCCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000252626161 569310480 /nfs/dbraw/zinc/31/04/80/569310480.db2.gz QXSPVKVDGTZAMA-JSXRDJHFSA-N 1 2 420.896 3.944 50 0 HHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007909115 569321100 /nfs/dbraw/zinc/32/11/00/569321100.db2.gz QUDGVDHQXGXZIJ-GOSISDBHSA-N 1 2 408.527 3.774 50 0 HHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007909115 569321102 /nfs/dbraw/zinc/32/11/02/569321102.db2.gz QUDGVDHQXGXZIJ-GOSISDBHSA-N 1 2 408.527 3.774 50 0 HHAALO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000013060630 569408378 /nfs/dbraw/zinc/40/83/78/569408378.db2.gz VGZWERZDBQGGDP-QGZVFWFLSA-N 1 2 420.479 3.717 50 0 HHAALO CCOc1cc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)ccc1OC ZINC000078869786 569420876 /nfs/dbraw/zinc/42/08/76/569420876.db2.gz RGFBCNUGDKRQDI-UHFFFAOYSA-N 1 2 402.539 3.878 50 0 HHAALO O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000078875819 569421089 /nfs/dbraw/zinc/42/10/89/569421089.db2.gz DMNPXIVZGBWZFY-UHFFFAOYSA-N 1 2 421.888 3.884 50 0 HHAALO COc1ccc(-c2cc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)no2)cc1OC ZINC000038753729 571079200 /nfs/dbraw/zinc/07/92/00/571079200.db2.gz CAGDGRHIGKAFID-UHFFFAOYSA-N 1 2 418.453 3.534 50 0 HHAALO COc1cc(Br)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000008720509 571106938 /nfs/dbraw/zinc/10/69/38/571106938.db2.gz AXWMOCKVOWSNHG-UHFFFAOYSA-N 1 2 409.299 3.928 50 0 HHAALO COc1ccccc1[C@H](NC(=O)c1nc(-c2ccco2)sc1C)c1[nH+]ccn1C ZINC000040062743 571147661 /nfs/dbraw/zinc/14/76/61/571147661.db2.gz ZYNFOHWTSDJVBO-SFHVURJKSA-N 1 2 408.483 3.973 50 0 HHAALO NC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000040071084 571151704 /nfs/dbraw/zinc/15/17/04/571151704.db2.gz GYSJZKXPHDZCDR-UHFFFAOYSA-N 1 2 423.513 3.726 50 0 HHAALO NC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000040071084 571151706 /nfs/dbraw/zinc/15/17/06/571151706.db2.gz GYSJZKXPHDZCDR-UHFFFAOYSA-N 1 2 423.513 3.726 50 0 HHAALO COc1ccc(C)cc1[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000040071242 571152041 /nfs/dbraw/zinc/15/20/41/571152041.db2.gz OQLYEOPXHKVSQJ-IERDGZPVSA-N 1 2 408.502 3.896 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1csc(-c2cccc(Cl)c2)n1 ZINC000040092296 571161564 /nfs/dbraw/zinc/16/15/64/571161564.db2.gz MZWIVNUSXSNPEM-UHFFFAOYSA-N 1 2 414.918 3.625 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccccc1Cc1ccccc1 ZINC000040098864 571162506 /nfs/dbraw/zinc/16/25/06/571162506.db2.gz ORDWJGBKVLCISL-UHFFFAOYSA-N 1 2 402.498 3.831 50 0 HHAALO CCOc1cccc2c1OCC(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)=C2 ZINC000040132031 571184551 /nfs/dbraw/zinc/18/45/51/571184551.db2.gz HVVOEQCYBCBZOA-OAQYLSRUSA-N 1 2 419.481 3.509 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000244986201 571211860 /nfs/dbraw/zinc/21/18/60/571211860.db2.gz JKANCGAWTRKFKU-MRXNPFEDSA-N 1 2 415.342 3.872 50 0 HHAALO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000245238140 571219502 /nfs/dbraw/zinc/21/95/02/571219502.db2.gz YDKOSFYREXZQGA-DFBJGRDBSA-N 1 2 419.569 3.648 50 0 HHAALO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000245238140 571219505 /nfs/dbraw/zinc/21/95/05/571219505.db2.gz YDKOSFYREXZQGA-DFBJGRDBSA-N 1 2 419.569 3.648 50 0 HHAALO Fc1ccc(-n2c(C[NH+]3CCCCC3)nnc2SCc2cn3cccnc3n2)cc1 ZINC000009115780 571224365 /nfs/dbraw/zinc/22/43/65/571224365.db2.gz XHHHHUZAWDCTKC-UHFFFAOYSA-N 1 2 423.521 3.727 50 0 HHAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)n1 ZINC000009572425 571269048 /nfs/dbraw/zinc/26/90/48/571269048.db2.gz VCZVMRLPIQQDPZ-UHFFFAOYSA-N 1 2 413.503 3.770 50 0 HHAALO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1ccccc1C(F)(F)F ZINC000077198062 571312675 /nfs/dbraw/zinc/31/26/75/571312675.db2.gz IEAWKYGEBFCUCL-UHFFFAOYSA-N 1 2 422.329 3.925 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000007677230 961279982 /nfs/dbraw/zinc/27/99/82/961279982.db2.gz GKCGPIMUJSQLQX-QGZVFWFLSA-N 1 2 408.542 3.818 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000007677230 961280000 /nfs/dbraw/zinc/28/00/00/961280000.db2.gz GKCGPIMUJSQLQX-QGZVFWFLSA-N 1 2 408.542 3.818 50 0 HHAALO CCCC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)Cc2ccccc2O1 ZINC000012098375 962238457 /nfs/dbraw/zinc/23/84/57/962238457.db2.gz LUJCHIFEAZCCPV-FQEVSTJZSA-N 1 2 412.530 3.773 50 0 HHAALO CCCC[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)Cc2ccccc2O1 ZINC000012098375 962238461 /nfs/dbraw/zinc/23/84/61/962238461.db2.gz LUJCHIFEAZCCPV-FQEVSTJZSA-N 1 2 412.530 3.773 50 0 HHAALO Cc1c(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1C ZINC000015074334 962650111 /nfs/dbraw/zinc/65/01/11/962650111.db2.gz YSJRSZFBYVEBFZ-NRFANRHFSA-N 1 2 405.502 3.909 50 0 HHAALO Cc1c(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1C ZINC000015074334 962650119 /nfs/dbraw/zinc/65/01/19/962650119.db2.gz YSJRSZFBYVEBFZ-NRFANRHFSA-N 1 2 405.502 3.909 50 0 HHAALO O[C@@H](c1ccc2c(c1)C[N@@H+](Cc1cnn(-c3ccccc3)c1)CCO2)c1ccccn1 ZINC000299757618 970720608 /nfs/dbraw/zinc/72/06/08/970720608.db2.gz HSEMJXPXFBNQCU-VWLOTQADSA-N 1 2 412.493 3.744 50 0 HHAALO O[C@@H](c1ccc2c(c1)C[N@H+](Cc1cnn(-c3ccccc3)c1)CCO2)c1ccccn1 ZINC000299757618 970720614 /nfs/dbraw/zinc/72/06/14/970720614.db2.gz HSEMJXPXFBNQCU-VWLOTQADSA-N 1 2 412.493 3.744 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@H]1Cc3ccccc3C[N@H+]1C)O2 ZINC000299769579 970722256 /nfs/dbraw/zinc/72/22/56/970722256.db2.gz YIVDNKAQTBALAB-DHIUTWEWSA-N 1 2 413.521 3.533 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)[C@H]1Cc3ccccc3C[N@@H+]1C)O2 ZINC000299769579 970722259 /nfs/dbraw/zinc/72/22/59/970722259.db2.gz YIVDNKAQTBALAB-DHIUTWEWSA-N 1 2 413.521 3.533 50 0 HHAALO COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2cc[nH+]c3c(C)ccc(C)c23)CC1 ZINC000004307408 132274819 /nfs/dbraw/zinc/27/48/19/132274819.db2.gz MJQSBZVGHNUMQD-IBGZPJMESA-N 1 2 419.525 3.976 50 0 HHAALO O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000005144913 132303220 /nfs/dbraw/zinc/30/32/20/132303220.db2.gz WWXGUANLVAIXOE-UHFFFAOYSA-N 1 2 407.543 3.644 50 0 HHAALO Clc1ccc(Cn2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1 ZINC000006719376 132313580 /nfs/dbraw/zinc/31/35/80/132313580.db2.gz UKHXPLGNOGAENT-UHFFFAOYSA-N 1 2 404.905 3.855 50 0 HHAALO C[C@@H]1CCc2nc3ccccc3c(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c2C1 ZINC000011153906 132347826 /nfs/dbraw/zinc/34/78/26/132347826.db2.gz IIZJMZNKMQSEJD-QGZVFWFLSA-N 1 2 416.525 3.521 50 0 HHAALO COC(=O)c1ccccc1NC(=S)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000012324454 132358662 /nfs/dbraw/zinc/35/86/62/132358662.db2.gz QCFASDLWVXJYLR-UHFFFAOYSA-N 1 2 420.538 3.849 50 0 HHAALO Cc1cc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000012760772 132366727 /nfs/dbraw/zinc/36/67/27/132366727.db2.gz NZGPQCQEEDIKOC-UHFFFAOYSA-N 1 2 401.942 3.631 50 0 HHAALO O=C(NCc1cccnc1)c1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000034684432 132795340 /nfs/dbraw/zinc/79/53/40/132795340.db2.gz RFTRNXONWLZGRR-UHFFFAOYSA-N 1 2 420.944 3.987 50 0 HHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032970860 519375988 /nfs/dbraw/zinc/37/59/88/519375988.db2.gz LZLSKKMODGTZAY-HXUWFJFHSA-N 1 2 402.922 3.515 50 0 HHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032970860 519375997 /nfs/dbraw/zinc/37/59/97/519375997.db2.gz LZLSKKMODGTZAY-HXUWFJFHSA-N 1 2 402.922 3.515 50 0 HHAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020601268 521483873 /nfs/dbraw/zinc/48/38/73/521483873.db2.gz FMCQCQCOAYGEEY-QHCPKHFHSA-N 1 2 405.542 3.702 50 0 HHAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020601268 521483880 /nfs/dbraw/zinc/48/38/80/521483880.db2.gz FMCQCQCOAYGEEY-QHCPKHFHSA-N 1 2 405.542 3.702 50 0 HHAALO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000044225494 522008976 /nfs/dbraw/zinc/00/89/76/522008976.db2.gz QCGJOYDNGGCHTD-INIZCTEOSA-N 1 2 413.827 3.716 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)C[C@H]1c1ccccc1 ZINC000020599001 523882191 /nfs/dbraw/zinc/88/21/91/523882191.db2.gz DNVCNQJQCLMTKO-DEOSSOPVSA-N 1 2 411.509 3.609 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)C[C@H]1c1ccccc1 ZINC000020599001 523882196 /nfs/dbraw/zinc/88/21/96/523882196.db2.gz DNVCNQJQCLMTKO-DEOSSOPVSA-N 1 2 411.509 3.609 50 0 HHAALO CCc1cccc(CC)c1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022805251 524067652 /nfs/dbraw/zinc/06/76/52/524067652.db2.gz NFRASMGABVVTAN-UHFFFAOYSA-N 1 2 407.558 3.503 50 0 HHAALO COc1cccc([C@H](NC(=O)NCCSc2ccc(C)cc2)c2[nH+]ccn2C)c1 ZINC000032802466 524162428 /nfs/dbraw/zinc/16/24/28/524162428.db2.gz OEVOSCRUCXGCDP-FQEVSTJZSA-N 1 2 410.543 3.918 50 0 HHAALO C[C@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)C[C@H](C)O1 ZINC000044537400 524669295 /nfs/dbraw/zinc/66/92/95/524669295.db2.gz HZGZVBBWKHGLHQ-IRXDYDNUSA-N 1 2 401.938 3.988 50 0 HHAALO Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2)o1 ZINC000032903678 525015268 /nfs/dbraw/zinc/01/52/68/525015268.db2.gz GFKSPJXAQQSZAM-UHFFFAOYSA-N 1 2 420.513 3.553 50 0 HHAALO C[C@@H]1CN(c2ccc(CNC(=O)c3csc(-c4cccs4)n3)c[nH+]2)C[C@@H](C)O1 ZINC000032930480 525066079 /nfs/dbraw/zinc/06/60/79/525066079.db2.gz MEZZYSXGTFWBGI-ZIAGYGMSSA-N 1 2 414.556 3.810 50 0 HHAALO Cc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888418 525351740 /nfs/dbraw/zinc/35/17/40/525351740.db2.gz UESIBKIMARLWJU-GOSISDBHSA-N 1 2 422.525 3.538 50 0 HHAALO Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc12 ZINC000020597578 525684854 /nfs/dbraw/zinc/68/48/54/525684854.db2.gz RYVHPXCKPZYCLN-UHFFFAOYSA-N 1 2 409.505 3.508 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1nc(-c2ccccc2)c[nH]1)c1ccccc1 ZINC000032752735 527453218 /nfs/dbraw/zinc/45/32/18/527453218.db2.gz XXHVDDDBARPCGA-FQEVSTJZSA-N 1 2 403.511 3.808 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1)c1ccccc1 ZINC000032932569 527464284 /nfs/dbraw/zinc/46/42/84/527464284.db2.gz CFWFNYTYFOALGU-OAQYLSRUSA-N 1 2 411.465 3.587 50 0 HHAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000032501884 527515251 /nfs/dbraw/zinc/51/52/51/527515251.db2.gz SDXGRBKUASTYIC-UHFFFAOYSA-N 1 2 418.419 3.640 50 0 HHAALO COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(c2cccc[nH+]2)CC1 ZINC000003063590 536970461 /nfs/dbraw/zinc/97/04/61/536970461.db2.gz MUNUPFKEYGSJBP-UHFFFAOYSA-N 1 2 414.513 3.743 50 0 HHAALO CCOC(=O)CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022634628 557306145 /nfs/dbraw/zinc/30/61/45/557306145.db2.gz NCXKWHNYWUPZQF-HSZRJFAPSA-N 1 2 414.933 3.917 50 0 HHAALO O=C(NC1CCCCC1)c1coc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000034678109 557365916 /nfs/dbraw/zinc/36/59/16/557365916.db2.gz LIMYRNMTJZHCKR-UHFFFAOYSA-N 1 2 416.953 3.708 50 0 HHAALO Cc1ccccc1C(=O)N1CCc2[nH+]c(N3CCCCC3)nc(N(C)C(C)C)c2C1 ZINC000034678698 557366875 /nfs/dbraw/zinc/36/68/75/557366875.db2.gz NQJOGLNDFIGZSL-UHFFFAOYSA-N 1 2 407.562 3.818 50 0 HHAALO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(I)cc3)c2cc1C ZINC000002872962 557415723 /nfs/dbraw/zinc/41/57/23/557415723.db2.gz IRTFBEOXIAOMAK-HNNXBMFYSA-N 1 2 422.266 3.698 50 0 HHAALO COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034857362 557477522 /nfs/dbraw/zinc/47/75/22/557477522.db2.gz BQGAENVQJVTDKC-FQEVSTJZSA-N 1 2 400.494 3.715 50 0 HHAALO COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034857362 557477524 /nfs/dbraw/zinc/47/75/24/557477524.db2.gz BQGAENVQJVTDKC-FQEVSTJZSA-N 1 2 400.494 3.715 50 0 HHAALO O=C1C[C@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000004594149 557570743 /nfs/dbraw/zinc/57/07/43/557570743.db2.gz RCCCLNNHUJUDNM-IBGZPJMESA-N 1 2 419.859 3.827 50 0 HHAALO COc1ccc(OC[C@H]2CCC[N@H+](Cc3nc(COc4ccccc4)no3)C2)cc1 ZINC000011842701 558287854 /nfs/dbraw/zinc/28/78/54/558287854.db2.gz SCIGNYGNHXBDHQ-SFHVURJKSA-N 1 2 409.486 3.948 50 0 HHAALO COc1ccc(OC[C@H]2CCC[N@@H+](Cc3nc(COc4ccccc4)no3)C2)cc1 ZINC000011842701 558287857 /nfs/dbraw/zinc/28/78/57/558287857.db2.gz SCIGNYGNHXBDHQ-SFHVURJKSA-N 1 2 409.486 3.948 50 0 HHAALO O=C(c1[nH]nc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000011935483 558299532 /nfs/dbraw/zinc/29/95/32/558299532.db2.gz IUXJRQBVXSUARW-HSZRJFAPSA-N 1 2 410.468 3.969 50 0 HHAALO O=C(c1[nH]nc2ccccc21)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000011935483 558299534 /nfs/dbraw/zinc/29/95/34/558299534.db2.gz IUXJRQBVXSUARW-HSZRJFAPSA-N 1 2 410.468 3.969 50 0 HHAALO COc1cccc(-c2cn3c(C(=O)N(C)Cc4c[nH+]c5ccccn45)csc3n2)c1 ZINC000011936372 558300195 /nfs/dbraw/zinc/30/01/95/558300195.db2.gz OPEBEXSVFWZJSN-UHFFFAOYSA-N 1 2 417.494 3.991 50 0 HHAALO CCn1cc[nH+]c1CNC(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 ZINC000011936798 558300713 /nfs/dbraw/zinc/30/07/13/558300713.db2.gz PAGPPBJTAYUUGB-UHFFFAOYSA-N 1 2 406.442 3.562 50 0 HHAALO COc1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1OCc1ccccc1 ZINC000019921087 558307044 /nfs/dbraw/zinc/30/70/44/558307044.db2.gz NFXXUEXJPLGWRW-UHFFFAOYSA-N 1 2 403.526 3.987 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1OCc1ccccc1 ZINC000019921087 558307047 /nfs/dbraw/zinc/30/70/47/558307047.db2.gz NFXXUEXJPLGWRW-UHFFFAOYSA-N 1 2 403.526 3.987 50 0 HHAALO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000019938184 558312774 /nfs/dbraw/zinc/31/27/74/558312774.db2.gz LONZMESIEJFGEB-UHFFFAOYSA-N 1 2 424.353 3.952 50 0 HHAALO CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973801 558316863 /nfs/dbraw/zinc/31/68/63/558316863.db2.gz DNKCFIFHOSXMKJ-KBXCAEBGSA-N 1 2 411.329 3.651 50 0 HHAALO CCCCOc1ccc(CC2C(=O)N=C(NCCC[NH+]3CCCCC3)NC2=O)cc1 ZINC000020029300 558323608 /nfs/dbraw/zinc/32/36/08/558323608.db2.gz DNFSYNRPMFQVNP-UHFFFAOYSA-N 1 2 414.550 3.533 50 0 HHAALO COc1cccc(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1OC ZINC000020082290 558331053 /nfs/dbraw/zinc/33/10/53/558331053.db2.gz KYDLMEOOLLRMDY-UHFFFAOYSA-N 1 2 420.509 3.580 50 0 HHAALO CCOc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cc(C)ccc3n2)cc1 ZINC000020176984 558343991 /nfs/dbraw/zinc/34/39/91/558343991.db2.gz LGEYHGWBUGNYIP-UHFFFAOYSA-N 1 2 419.525 3.671 50 0 HHAALO Cn1c(C[NH+]2CCN(c3ccccc3NC(=O)c3ccco3)CC2)nc2ccccc21 ZINC000020428275 558362713 /nfs/dbraw/zinc/36/27/13/558362713.db2.gz BBQUSIVDWLMQKD-UHFFFAOYSA-N 1 2 415.497 3.741 50 0 HHAALO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000020467733 558374180 /nfs/dbraw/zinc/37/41/80/558374180.db2.gz VMIHOISBFMBLKX-UHFFFAOYSA-N 1 2 420.538 3.780 50 0 HHAALO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000020467733 558374186 /nfs/dbraw/zinc/37/41/86/558374186.db2.gz VMIHOISBFMBLKX-UHFFFAOYSA-N 1 2 420.538 3.780 50 0 HHAALO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000020606929 558388238 /nfs/dbraw/zinc/38/82/38/558388238.db2.gz XAZCIIVPFBJTBX-UHFFFAOYSA-N 1 2 409.559 3.738 50 0 HHAALO Cn1c(C[NH+]2CCN(c3ccc(NC(=O)c4ccco4)cc3)CC2)nc2ccccc21 ZINC000020622882 558394374 /nfs/dbraw/zinc/39/43/74/558394374.db2.gz HTECRWYMLCJYCD-UHFFFAOYSA-N 1 2 415.497 3.741 50 0 HHAALO CCCCn1c(=O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)[nH]c1=S ZINC000020623515 558394453 /nfs/dbraw/zinc/39/44/53/558394453.db2.gz VVZKIXDJMVNFDH-INIZCTEOSA-N 1 2 404.923 3.781 50 0 HHAALO CCCCn1c(O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020623515 558394456 /nfs/dbraw/zinc/39/44/56/558394456.db2.gz VVZKIXDJMVNFDH-INIZCTEOSA-N 1 2 404.923 3.781 50 0 HHAALO O[C@H](CCc1ccccc1)C1CC[NH+](Cc2nc(COc3ccccc3)no2)CC1 ZINC000012387063 558395931 /nfs/dbraw/zinc/39/59/31/558395931.db2.gz KIVWYULYTBBGHC-JOCHJYFZSA-N 1 2 407.514 3.854 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000020650730 558397883 /nfs/dbraw/zinc/39/78/83/558397883.db2.gz SPNNTYNWHYVRGR-NYQDVAGCSA-N 1 2 419.431 3.736 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000020650730 558397885 /nfs/dbraw/zinc/39/78/85/558397885.db2.gz SPNNTYNWHYVRGR-NYQDVAGCSA-N 1 2 419.431 3.736 50 0 HHAALO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000020909717 558421752 /nfs/dbraw/zinc/42/17/52/558421752.db2.gz VJDZQYFWDMQPFI-UHFFFAOYSA-N 1 2 408.527 3.512 50 0 HHAALO COc1cccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(OC)c(OC)c2)C3)c1 ZINC000021038426 558429895 /nfs/dbraw/zinc/42/98/95/558429895.db2.gz LCRPGAHZAZYUBO-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1cccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(OC)c(OC)c2)C3)c1 ZINC000021038426 558429896 /nfs/dbraw/zinc/42/98/96/558429896.db2.gz LCRPGAHZAZYUBO-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021324132 558435630 /nfs/dbraw/zinc/43/56/30/558435630.db2.gz MIZOPVDHBJRNHM-OAHLLOKOSA-N 1 2 409.456 3.632 50 0 HHAALO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1cc[nH+]c1 ZINC000012627544 558440344 /nfs/dbraw/zinc/44/03/44/558440344.db2.gz WYEUELUVLHXGEX-UHFFFAOYSA-N 1 2 408.458 3.572 50 0 HHAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000021927841 558455681 /nfs/dbraw/zinc/45/56/81/558455681.db2.gz CRMCDYBMJIZOOL-UHFFFAOYSA-N 1 2 415.415 3.505 50 0 HHAALO O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290200 558476450 /nfs/dbraw/zinc/47/64/50/558476450.db2.gz CMQBGXUSFGHFFQ-UHFFFAOYSA-N 1 2 420.922 3.719 50 0 HHAALO O=C(c1cc2c(nc3sccn23)s1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022741047 558507060 /nfs/dbraw/zinc/50/70/60/558507060.db2.gz GYDSSADSGHBMCX-UHFFFAOYSA-N 1 2 424.551 3.503 50 0 HHAALO CCCCOc1ccc(C[NH+]2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000022751950 558507671 /nfs/dbraw/zinc/50/76/71/558507671.db2.gz QMGWJNJFDNWCBO-UHFFFAOYSA-N 1 2 413.606 3.990 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCOCC2)cc1 ZINC000023105812 558534381 /nfs/dbraw/zinc/53/43/81/558534381.db2.gz NUVWSTFTUGWJGS-LJQANCHMSA-N 1 2 403.320 3.561 50 0 HHAALO CCCCn1c(=O)c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)[nH]c1=S ZINC000013627969 558551565 /nfs/dbraw/zinc/55/15/65/558551565.db2.gz VVZKIXDJMVNFDH-MRXNPFEDSA-N 1 2 404.923 3.781 50 0 HHAALO CCCCn1c(O)c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000013627969 558551566 /nfs/dbraw/zinc/55/15/66/558551566.db2.gz VVZKIXDJMVNFDH-MRXNPFEDSA-N 1 2 404.923 3.781 50 0 HHAALO Cc1cc(N2CCN(C(=O)c3cncc(Br)c3)CC2)[nH+]c2ccccc12 ZINC000013629626 558551988 /nfs/dbraw/zinc/55/19/88/558551988.db2.gz CXTPFRZKIVWBCR-UHFFFAOYSA-N 1 2 411.303 3.663 50 0 HHAALO O=C(CNC(=O)c1ccc2ccccc2c1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023639813 558564074 /nfs/dbraw/zinc/56/40/74/558564074.db2.gz XZUINDMMLJHKKZ-UHFFFAOYSA-N 1 2 421.928 3.567 50 0 HHAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023907800 558580928 /nfs/dbraw/zinc/58/09/28/558580928.db2.gz FZDABXMNZAXCMG-HSZRJFAPSA-N 1 2 416.525 3.553 50 0 HHAALO Cc1c(C)c(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1C ZINC000024193325 558591783 /nfs/dbraw/zinc/59/17/83/558591783.db2.gz HFJFATSLTKFGJN-UHFFFAOYSA-N 1 2 416.587 3.539 50 0 HHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000024441665 558597645 /nfs/dbraw/zinc/59/76/45/558597645.db2.gz HBATUWBQVNWOJH-UHFFFAOYSA-N 1 2 417.513 3.649 50 0 HHAALO COc1ccc(-c2nc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cs2)cc1OC ZINC000024969758 558622949 /nfs/dbraw/zinc/62/29/49/558622949.db2.gz XFZXIGVDFBVYOA-IBGZPJMESA-N 1 2 423.538 3.956 50 0 HHAALO COc1ccc(-c2nc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cs2)cc1OC ZINC000024969758 558622950 /nfs/dbraw/zinc/62/29/50/558622950.db2.gz XFZXIGVDFBVYOA-IBGZPJMESA-N 1 2 423.538 3.956 50 0 HHAALO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000014196558 558633454 /nfs/dbraw/zinc/63/34/54/558633454.db2.gz FIYNIHKKGWTIAU-DEOSSOPVSA-N 1 2 423.520 3.645 50 0 HHAALO O=C(COc1ccc(Br)cc1F)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025171032 558633700 /nfs/dbraw/zinc/63/37/00/558633700.db2.gz YWWUSUITOIJLSQ-UHFFFAOYSA-N 1 2 404.239 3.851 50 0 HHAALO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000025301589 558637236 /nfs/dbraw/zinc/63/72/36/558637236.db2.gz AOLCOABCVWTMEO-MRXNPFEDSA-N 1 2 407.869 3.750 50 0 HHAALO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000025301589 558637238 /nfs/dbraw/zinc/63/72/38/558637238.db2.gz AOLCOABCVWTMEO-MRXNPFEDSA-N 1 2 407.869 3.750 50 0 HHAALO COc1cc(NC(=O)C[N@@H+]2CCN(c3ccc(C)cc3)[C@@H](C)C2)c(OC)cc1Cl ZINC000014216304 558637946 /nfs/dbraw/zinc/63/79/46/558637946.db2.gz XGCKBXJOWLLYNT-INIZCTEOSA-N 1 2 417.937 3.815 50 0 HHAALO COc1cc(NC(=O)C[N@H+]2CCN(c3ccc(C)cc3)[C@@H](C)C2)c(OC)cc1Cl ZINC000014216304 558637949 /nfs/dbraw/zinc/63/79/49/558637949.db2.gz XGCKBXJOWLLYNT-INIZCTEOSA-N 1 2 417.937 3.815 50 0 HHAALO Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000026383074 558659986 /nfs/dbraw/zinc/65/99/86/558659986.db2.gz IPYUJEPRIWPJSC-UHFFFAOYSA-N 1 2 424.589 3.874 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3F)o2)CC1)Nc1ccccc1 ZINC000014731495 558665451 /nfs/dbraw/zinc/66/54/51/558665451.db2.gz MEQWEWDEYSWCNV-UHFFFAOYSA-N 1 2 421.472 3.919 50 0 HHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000027143816 558670114 /nfs/dbraw/zinc/67/01/14/558670114.db2.gz LNLYIHXIIHJTOK-HXUWFJFHSA-N 1 2 406.448 3.746 50 0 HHAALO O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000014910270 558679001 /nfs/dbraw/zinc/67/90/01/558679001.db2.gz ORBSYGQWKHPQFU-UHFFFAOYSA-N 1 2 415.497 3.961 50 0 HHAALO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)c1C ZINC000028291035 558697114 /nfs/dbraw/zinc/69/71/14/558697114.db2.gz KJXPGEHHBAHCDI-QHCPKHFHSA-N 1 2 410.558 3.995 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+](C)CCOc3cccc(Cl)c3)n2)cc1 ZINC000028635067 558702750 /nfs/dbraw/zinc/70/27/50/558702750.db2.gz PFGBTGMDXZOBQU-UHFFFAOYSA-N 1 2 403.866 3.821 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+](C)CCOc3cccc(Cl)c3)n2)cc1 ZINC000028635067 558702751 /nfs/dbraw/zinc/70/27/51/558702751.db2.gz PFGBTGMDXZOBQU-UHFFFAOYSA-N 1 2 403.866 3.821 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000028639153 558703041 /nfs/dbraw/zinc/70/30/41/558703041.db2.gz KNQHYQQGUIRGCR-QGZVFWFLSA-N 1 2 422.485 3.508 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000028639153 558703044 /nfs/dbraw/zinc/70/30/44/558703044.db2.gz KNQHYQQGUIRGCR-QGZVFWFLSA-N 1 2 422.485 3.508 50 0 HHAALO COc1cc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)ccc1OC(F)F ZINC000015036341 558703962 /nfs/dbraw/zinc/70/39/62/558703962.db2.gz CVYKLZMHCCXXDY-UHFFFAOYSA-N 1 2 401.413 3.698 50 0 HHAALO COc1cc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C2CC2)ccc1OC(F)F ZINC000015036341 558703964 /nfs/dbraw/zinc/70/39/64/558703964.db2.gz CVYKLZMHCCXXDY-UHFFFAOYSA-N 1 2 401.413 3.698 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000028927808 558707444 /nfs/dbraw/zinc/70/74/44/558707444.db2.gz RGXBJYRUEKFFGT-LJQANCHMSA-N 1 2 424.545 3.744 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000028927808 558707447 /nfs/dbraw/zinc/70/74/47/558707447.db2.gz RGXBJYRUEKFFGT-LJQANCHMSA-N 1 2 424.545 3.744 50 0 HHAALO Cc1nonc1N1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)CC1 ZINC000015065865 558708835 /nfs/dbraw/zinc/70/88/35/558708835.db2.gz MHVLMQMQTVLSCW-UHFFFAOYSA-N 1 2 407.396 3.682 50 0 HHAALO COc1cccc([C@H](NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c2[nH+]ccn2C)c1 ZINC000029096713 558709909 /nfs/dbraw/zinc/70/99/09/558709909.db2.gz ZXKCCYICCXNGRP-DEOSSOPVSA-N 1 2 417.509 3.786 50 0 HHAALO Cc1noc(C)c1COc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029674500 558718646 /nfs/dbraw/zinc/71/86/46/558718646.db2.gz SHSAHNHQPDEJET-UHFFFAOYSA-N 1 2 405.498 3.828 50 0 HHAALO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000029926748 558724080 /nfs/dbraw/zinc/72/40/80/558724080.db2.gz UGQNFMLAQRBZHA-ZDUSSCGKSA-N 1 2 400.350 3.949 50 0 HHAALO Cc1nc(CSc2ccccc2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000030217276 558728147 /nfs/dbraw/zinc/72/81/47/558728147.db2.gz QCENIMJFNVVSSK-UHFFFAOYSA-N 1 2 419.510 3.845 50 0 HHAALO O=C(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000015345297 558734885 /nfs/dbraw/zinc/73/48/85/558734885.db2.gz CGVTZXADDNQJKE-UHFFFAOYSA-N 1 2 415.331 3.756 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000072305223 558758031 /nfs/dbraw/zinc/75/80/31/558758031.db2.gz LHUXTFSETGOBKJ-ZBFHGGJFSA-N 1 2 420.859 3.677 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000072305223 558758032 /nfs/dbraw/zinc/75/80/32/558758032.db2.gz LHUXTFSETGOBKJ-ZBFHGGJFSA-N 1 2 420.859 3.677 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1N=CC[C@@H]1c1ccccc1 ZINC000035851587 558795450 /nfs/dbraw/zinc/79/54/50/558795450.db2.gz XAVWAJLERPJQTB-HXUWFJFHSA-N 1 2 416.447 3.787 50 0 HHAALO O=C1C[C@@H]([NH+]2CCC(Nc3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018271414 558835183 /nfs/dbraw/zinc/83/51/83/558835183.db2.gz RCCCLNNHUJUDNM-LJQANCHMSA-N 1 2 419.859 3.827 50 0 HHAALO Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)[nH+]c2c1 ZINC000033070728 558866148 /nfs/dbraw/zinc/86/61/48/558866148.db2.gz ZLNJKVXOMQFFNB-UHFFFAOYSA-N 1 2 421.520 3.576 50 0 HHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)[nH]c2c1 ZINC000033070728 558866149 /nfs/dbraw/zinc/86/61/49/558866149.db2.gz ZLNJKVXOMQFFNB-UHFFFAOYSA-N 1 2 421.520 3.576 50 0 HHAALO COC(=O)c1ccc(-c2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)cc1 ZINC000055035894 558870154 /nfs/dbraw/zinc/87/01/54/558870154.db2.gz CTVGJLZLOWKRNC-GOSISDBHSA-N 1 2 408.454 3.708 50 0 HHAALO COC(=O)c1ccc(-c2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)cc1 ZINC000055035894 558870156 /nfs/dbraw/zinc/87/01/56/558870156.db2.gz CTVGJLZLOWKRNC-GOSISDBHSA-N 1 2 408.454 3.708 50 0 HHAALO C[C@]1(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)CCCC[C@@H]1c1ccc(O)cc1 ZINC000055552696 558882367 /nfs/dbraw/zinc/88/23/67/558882367.db2.gz QJDUGJCDLGRUEZ-NOZRDPDXSA-N 1 2 407.558 3.747 50 0 HHAALO CCOc1cc(C(=O)NCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000046194910 558894325 /nfs/dbraw/zinc/89/43/25/558894325.db2.gz JYKGAUZQLKTJIT-ROUUACIJSA-N 1 2 412.530 3.600 50 0 HHAALO COc1cc[nH+]cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000058307476 558918523 /nfs/dbraw/zinc/91/85/23/558918523.db2.gz QSOMTEFSKVRKCF-UHFFFAOYSA-N 1 2 415.446 3.591 50 0 HHAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1Cl ZINC000072116078 558926917 /nfs/dbraw/zinc/92/69/17/558926917.db2.gz IDBJDZYBXKFHPM-UHFFFAOYSA-N 1 2 414.941 3.783 50 0 HHAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1Cl ZINC000072116078 558926918 /nfs/dbraw/zinc/92/69/18/558926918.db2.gz IDBJDZYBXKFHPM-UHFFFAOYSA-N 1 2 414.941 3.783 50 0 HHAALO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1F ZINC000060090035 558940731 /nfs/dbraw/zinc/94/07/31/558940731.db2.gz AQAAXZWIBBDNQP-UHFFFAOYSA-N 1 2 404.486 3.669 50 0 HHAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000019595046 558945763 /nfs/dbraw/zinc/94/57/63/558945763.db2.gz JYZGTYPWUNFLRA-UHFFFAOYSA-N 1 2 408.420 3.681 50 0 HHAALO Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1)CC2 ZINC000021810266 558953210 /nfs/dbraw/zinc/95/32/10/558953210.db2.gz OUDZPVQAZVZVIU-UHFFFAOYSA-N 1 2 420.538 3.780 50 0 HHAALO Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)CC2 ZINC000021810266 558953214 /nfs/dbraw/zinc/95/32/14/558953214.db2.gz OUDZPVQAZVZVIU-UHFFFAOYSA-N 1 2 420.538 3.780 50 0 HHAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)CCC4CCCCC4)CC3)[nH+]c(C)n2)n1 ZINC000065362961 558973896 /nfs/dbraw/zinc/97/38/96/558973896.db2.gz UNPHIMQGNLIIGH-UHFFFAOYSA-N 1 2 410.566 3.597 50 0 HHAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000065364212 558975352 /nfs/dbraw/zinc/97/53/52/558975352.db2.gz FAEBOSXHTMOBFL-UHFFFAOYSA-N 1 2 424.508 3.600 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCOCC2)cc1 ZINC000023105730 559009709 /nfs/dbraw/zinc/00/97/09/559009709.db2.gz UONZBMWGQGVQOR-XMMPIXPASA-N 1 2 404.510 3.717 50 0 HHAALO COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1OC ZINC000023106396 559010089 /nfs/dbraw/zinc/01/00/89/559010089.db2.gz DBACMRANDBUAGC-QFIPXVFZSA-N 1 2 420.509 3.660 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c(OC)c1 ZINC000097032691 559021393 /nfs/dbraw/zinc/02/13/93/559021393.db2.gz IISXQMRVPVYNJH-KRWDZBQOSA-N 1 2 408.502 3.633 50 0 HHAALO Cc1[nH+]c(-c2nc3cc(S(=O)(=O)NC(C)C)ccc3n2C(C)C)c2ccccn12 ZINC000082127051 559039819 /nfs/dbraw/zinc/03/98/19/559039819.db2.gz GCEKVTQAYWMQET-UHFFFAOYSA-N 1 2 411.531 3.927 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1ccccc1Br ZINC000033280299 559043519 /nfs/dbraw/zinc/04/35/19/559043519.db2.gz VZMYHIRRBITUPS-UHFFFAOYSA-N 1 2 407.337 3.719 50 0 HHAALO CCc1cc(-c2csc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)on1 ZINC000033290281 559045338 /nfs/dbraw/zinc/04/53/38/559045338.db2.gz SJUQHRAIASJKQH-UHFFFAOYSA-N 1 2 409.577 3.605 50 0 HHAALO CCn1cnnc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095525905 559085981 /nfs/dbraw/zinc/08/59/81/559085981.db2.gz QBBBWHFBQFLLQE-LJQANCHMSA-N 1 2 403.530 3.607 50 0 HHAALO CCn1cnnc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095525905 559085983 /nfs/dbraw/zinc/08/59/83/559085983.db2.gz QBBBWHFBQFLLQE-LJQANCHMSA-N 1 2 403.530 3.607 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1Cl ZINC000096279699 559108567 /nfs/dbraw/zinc/10/85/67/559108567.db2.gz YUAQEIFALPIACG-PABBZOGXSA-N 1 2 423.944 3.611 50 0 HHAALO COc1cc(SC)ccc1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000014016730 559142705 /nfs/dbraw/zinc/14/27/05/559142705.db2.gz NWSFZWSNWYPWSS-UHFFFAOYSA-N 1 2 400.548 3.601 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000023754933 559180771 /nfs/dbraw/zinc/18/07/71/559180771.db2.gz JEHYOQPFOKGHIW-UHFFFAOYSA-N 1 2 418.457 3.713 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000023820141 559181117 /nfs/dbraw/zinc/18/11/17/559181117.db2.gz YWRHFCJIUKKQAJ-ZDUSSCGKSA-N 1 2 409.328 3.694 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000023820141 559181119 /nfs/dbraw/zinc/18/11/19/559181119.db2.gz YWRHFCJIUKKQAJ-ZDUSSCGKSA-N 1 2 409.328 3.694 50 0 HHAALO O=S(=O)(c1ccc(SCc2cn3ccccc3[nH+]2)nc1)N1CCCCCC1 ZINC000005165447 559279387 /nfs/dbraw/zinc/27/93/87/559279387.db2.gz SKSOEEZCLTYWNM-UHFFFAOYSA-N 1 2 402.545 3.586 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000061879513 560561983 /nfs/dbraw/zinc/56/19/83/560561983.db2.gz MWOJVAXYVJUMMB-KOSHJBKYSA-N 1 2 405.542 3.594 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)Nc1ccc(F)cc1F ZINC000005500345 560598462 /nfs/dbraw/zinc/59/84/62/560598462.db2.gz QIFSYSKHNSIDKB-UHFFFAOYSA-N 1 2 411.437 3.884 50 0 HHAALO COc1ccc(C)cc1NC(=O)CSc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000005501171 560601097 /nfs/dbraw/zinc/60/10/97/560601097.db2.gz MCLDJRGDIINEIS-UHFFFAOYSA-N 1 2 419.510 3.922 50 0 HHAALO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000051060229 560759299 /nfs/dbraw/zinc/75/92/99/560759299.db2.gz XSYLHXPOLNNCHO-UONOGXRCSA-N 1 2 400.350 3.949 50 0 HHAALO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000051060229 560759301 /nfs/dbraw/zinc/75/93/01/560759301.db2.gz XSYLHXPOLNNCHO-UONOGXRCSA-N 1 2 400.350 3.949 50 0 HHAALO C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047839 560774067 /nfs/dbraw/zinc/77/40/67/560774067.db2.gz NBRKXIKMOAICSR-KRWDZBQOSA-N 1 2 420.488 3.741 50 0 HHAALO CCOc1c(Cl)cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000018213910 560784830 /nfs/dbraw/zinc/78/48/30/560784830.db2.gz YJQRLBSEOOZMFW-UHFFFAOYSA-N 1 2 418.921 3.510 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103514537 560842794 /nfs/dbraw/zinc/84/27/94/560842794.db2.gz RRVQBSIBMVQEEV-UNMCSNQZSA-N 1 2 415.424 3.617 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103514788 560842815 /nfs/dbraw/zinc/84/28/15/560842815.db2.gz VMSPJWIOVOTBEH-RBBKRZOGSA-N 1 2 415.424 3.617 50 0 HHAALO CCNC(=O)N1CCN(c2nc(C)[nH+]c(C(C)(C)C)c2Cc2ccccc2F)CC1 ZINC000096318073 560848805 /nfs/dbraw/zinc/84/88/05/560848805.db2.gz OSJQOSJIDWWJRX-UHFFFAOYSA-N 1 2 413.541 3.664 50 0 HHAALO O=C(CCNC(=O)c1ccoc1)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000047278382 560886077 /nfs/dbraw/zinc/88/60/77/560886077.db2.gz MEXVYNPXJSZNFQ-UHFFFAOYSA-N 1 2 406.417 3.644 50 0 HHAALO Cn1cc(-c2nc(C[N@H+](C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cs2)cn1 ZINC000108066750 560897729 /nfs/dbraw/zinc/89/77/29/560897729.db2.gz PXSKFRIWOJMUPO-IAGOWNOFSA-N 1 2 409.342 3.941 50 0 HHAALO Cn1cc(-c2nc(C[N@@H+](C)[C@@H]3c4cc(Cl)cc(Cl)c4C[C@H]3O)cs2)cn1 ZINC000108066750 560897730 /nfs/dbraw/zinc/89/77/30/560897730.db2.gz PXSKFRIWOJMUPO-IAGOWNOFSA-N 1 2 409.342 3.941 50 0 HHAALO Cc1ccc([C@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000022852425 568415600 /nfs/dbraw/zinc/41/56/00/568415600.db2.gz CWLLNDFUXASSGD-QGZVFWFLSA-N 1 2 410.499 3.611 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000022907544 568415982 /nfs/dbraw/zinc/41/59/82/568415982.db2.gz COUPMEOVGSXHKG-OAQYLSRUSA-N 1 2 421.472 3.581 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1F ZINC000022907544 568415983 /nfs/dbraw/zinc/41/59/83/568415983.db2.gz COUPMEOVGSXHKG-OAQYLSRUSA-N 1 2 421.472 3.581 50 0 HHAALO CC1(C)Cn2c(-c3ccccc3)nnc2N(C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000108804593 568419471 /nfs/dbraw/zinc/41/94/71/568419471.db2.gz QKIBKHKMSCHAQB-UHFFFAOYSA-N 1 2 402.546 3.571 50 0 HHAALO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3c3ccsc3)nc2c1 ZINC000048253381 568434389 /nfs/dbraw/zinc/43/43/89/568434389.db2.gz MSPOSQWPYLFGBX-IBGZPJMESA-N 1 2 418.588 3.992 50 0 HHAALO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+]3CCC[C@H]3c3ccsc3)nc2c1 ZINC000048253381 568434391 /nfs/dbraw/zinc/43/43/91/568434391.db2.gz MSPOSQWPYLFGBX-IBGZPJMESA-N 1 2 418.588 3.992 50 0 HHAALO Cc1nc(-n2cccn2)cc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)[nH+]1 ZINC000049422518 568450776 /nfs/dbraw/zinc/45/07/76/568450776.db2.gz NZRCFUOQSVGCJI-UHFFFAOYSA-N 1 2 424.468 3.703 50 0 HHAALO CSc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000033431354 568514701 /nfs/dbraw/zinc/51/47/01/568514701.db2.gz HQCWXFOTJRTBCM-PGMHBOJBSA-N 1 2 420.538 3.582 50 0 HHAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2 ZINC000020111837 568588770 /nfs/dbraw/zinc/58/87/70/568588770.db2.gz IAULXNBRRKXZQM-HNNXBMFYSA-N 1 2 418.287 3.988 50 0 biogenic HHAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(Br)cc1)[N@@H+](C)CC3)OCO2 ZINC000020111837 568588772 /nfs/dbraw/zinc/58/87/72/568588772.db2.gz IAULXNBRRKXZQM-HNNXBMFYSA-N 1 2 418.287 3.988 50 0 biogenic HHAALO C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020288681 568597896 /nfs/dbraw/zinc/59/78/96/568597896.db2.gz XECQAFPUIUQOFF-AUSIDOKSSA-N 1 2 420.582 3.821 50 0 HHAALO C[C@@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020288693 568597910 /nfs/dbraw/zinc/59/79/10/568597910.db2.gz CXPFBDGNSOFFAZ-AUSIDOKSSA-N 1 2 420.582 3.821 50 0 HHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000020289906 568597985 /nfs/dbraw/zinc/59/79/85/568597985.db2.gz CKBZZVYQLFQNCJ-UHFFFAOYSA-N 1 2 412.515 3.526 50 0 HHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000020289906 568597987 /nfs/dbraw/zinc/59/79/87/568597987.db2.gz CKBZZVYQLFQNCJ-UHFFFAOYSA-N 1 2 412.515 3.526 50 0 HHAALO CCc1cc2c(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc2cc1O ZINC000020412532 568605445 /nfs/dbraw/zinc/60/54/45/568605445.db2.gz LLTIILJSUUKCDL-RMKNXTFCSA-N 1 2 404.510 3.892 50 0 HHAALO Cc1ccccc1Cn1cc(CCCC(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000020490012 568614241 /nfs/dbraw/zinc/61/42/41/568614241.db2.gz BRYLLCQNZZTLQT-UHFFFAOYSA-N 1 2 419.569 3.769 50 0 HHAALO Cc1ccc(-n2cc(C[NH+]3CCN(C(=O)c4cccnc4)CC3)c(C(C)(C)C)n2)cc1 ZINC000095453792 568615909 /nfs/dbraw/zinc/61/59/09/568615909.db2.gz VAKBGJBMVZYWKL-UHFFFAOYSA-N 1 2 417.557 3.831 50 0 HHAALO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000225486186 568642019 /nfs/dbraw/zinc/64/20/19/568642019.db2.gz GSNCMCOJXAZIAG-FQEVSTJZSA-N 1 2 408.502 3.567 50 0 HHAALO O=C(c1ccc(OC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1)N1CCCC1 ZINC000020996547 568656920 /nfs/dbraw/zinc/65/69/20/568656920.db2.gz FWTQRLJVFYSATC-UHFFFAOYSA-N 1 2 404.514 3.842 50 0 HHAALO CC[C@H](C(=O)N1CC[NH+](Cc2cc(=O)oc3ccc(OC)cc23)CC1)c1ccccc1 ZINC000021173289 568676793 /nfs/dbraw/zinc/67/67/93/568676793.db2.gz JINFRMXFLZTSLH-NRFANRHFSA-N 1 2 420.509 3.640 50 0 HHAALO COCCOC1C[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C1 ZINC000095997195 568679097 /nfs/dbraw/zinc/67/90/97/568679097.db2.gz RQCXLOMYTACEMJ-UHFFFAOYSA-N 1 2 408.340 3.605 50 0 HHAALO CC(C)Oc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000242263286 568732279 /nfs/dbraw/zinc/73/22/79/568732279.db2.gz XXQSKZKSZFYNOW-TZIWHRDSSA-N 1 2 423.557 3.624 50 0 HHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4O)CC3)no2)cc1 ZINC000021724314 568751002 /nfs/dbraw/zinc/75/10/02/568751002.db2.gz LNERRLOHFMBPFK-UHFFFAOYSA-N 1 2 410.449 3.740 50 0 HHAALO Cc1ccc(O)c(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000021724304 568751025 /nfs/dbraw/zinc/75/10/25/568751025.db2.gz NUNKIOYZKWZMNM-UHFFFAOYSA-N 1 2 410.449 3.740 50 0 HHAALO CC1CC[NH+](c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)CC1 ZINC000021888200 568758808 /nfs/dbraw/zinc/75/88/08/568758808.db2.gz CMVRCVMLJRSZFQ-UHFFFAOYSA-N 1 2 413.543 3.999 50 0 HHAALO O=S(=O)(NC1CC[NH+](Cc2ccccc2F)CC1)c1cccc(Cl)c1F ZINC000055643040 568781351 /nfs/dbraw/zinc/78/13/51/568781351.db2.gz RVORYQRKHUYZAO-UHFFFAOYSA-N 1 2 400.878 3.561 50 0 HHAALO CCCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1[C@@H](CC)[NH+](C)C ZINC000002664409 568799895 /nfs/dbraw/zinc/79/98/95/568799895.db2.gz WSUYJJDHGNIIDC-CQSZACIVSA-N 1 2 410.975 3.870 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945117 568821358 /nfs/dbraw/zinc/82/13/58/568821358.db2.gz PLQUVRXFFXTXCC-JOCHJYFZSA-N 1 2 405.498 3.582 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3ccc(C)cc3)co2)CC1 ZINC000056949882 568821965 /nfs/dbraw/zinc/82/19/65/568821965.db2.gz UPNSSBJVWFPZOC-UHFFFAOYSA-N 1 2 420.509 3.858 50 0 HHAALO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)cs2)cc1 ZINC000057273708 568825741 /nfs/dbraw/zinc/82/57/41/568825741.db2.gz UOFXNHSSGJBFJI-UHFFFAOYSA-N 1 2 422.554 3.661 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1I)c1ccccc1 ZINC000012507403 568839667 /nfs/dbraw/zinc/83/96/67/568839667.db2.gz DTTQNXVOALVJGH-INIZCTEOSA-N 1 2 417.250 3.544 50 0 HHAALO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547685 568851032 /nfs/dbraw/zinc/85/10/32/568851032.db2.gz AWEIHQKKEZWTEE-FXAWDEMLSA-N 1 2 420.488 3.741 50 0 HHAALO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012581291 568864761 /nfs/dbraw/zinc/86/47/61/568864761.db2.gz OYHBLQBUCMDXHU-KBXCAEBGSA-N 1 2 414.303 3.856 50 0 HHAALO O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003287534 568872695 /nfs/dbraw/zinc/87/26/95/568872695.db2.gz LFWDIDGZVCJVLC-UHFFFAOYSA-N 1 2 409.540 3.592 50 0 aggregator HHAALO O=C(Cc1cn2ccsc2n1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003287534 568872698 /nfs/dbraw/zinc/87/26/98/568872698.db2.gz LFWDIDGZVCJVLC-UHFFFAOYSA-N 1 2 409.540 3.592 50 0 aggregator HHAALO Cc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc(C(C)C)[nH+]1 ZINC000015357351 568879827 /nfs/dbraw/zinc/87/98/27/568879827.db2.gz XEUMSCBLFSFFRR-UHFFFAOYSA-N 1 2 410.543 3.573 50 0 HHAALO Cc1cc(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)no1 ZINC000003376056 568891319 /nfs/dbraw/zinc/89/13/19/568891319.db2.gz MMDCXMBPIZALCV-GFCCVEGCSA-N 1 2 420.926 3.571 50 0 HHAALO CC[C@@H](c1nnc(SCC(=O)NC2CCCCC2)n1Cc1ccccc1)[NH+](C)C ZINC000003552178 568914900 /nfs/dbraw/zinc/91/49/00/568914900.db2.gz DTYXFTDPMJUYNA-IBGZPJMESA-N 1 2 415.607 3.880 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000229651891 568952885 /nfs/dbraw/zinc/95/28/85/568952885.db2.gz ZWAWMFMLFCFDMR-BJESRGMDSA-N 1 2 424.456 3.528 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000229651891 568952887 /nfs/dbraw/zinc/95/28/87/568952887.db2.gz ZWAWMFMLFCFDMR-BJESRGMDSA-N 1 2 424.456 3.528 50 0 HHAALO CC(C)OC(=O)N1CCC(NC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)[NH+](C)C)CC1 ZINC000084621860 568953429 /nfs/dbraw/zinc/95/34/29/568953429.db2.gz LIDOYKXTFGIAFH-QGZVFWFLSA-N 1 2 416.349 3.722 50 0 HHAALO Cc1cc(Cl)cc(C)c1OCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000012785141 568959515 /nfs/dbraw/zinc/95/95/15/568959515.db2.gz TUSDOWMWASCEND-HXUWFJFHSA-N 1 2 402.922 3.525 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000007976580 568962959 /nfs/dbraw/zinc/96/29/59/568962959.db2.gz BTSSHIVUZRSVHC-UHFFFAOYSA-N 1 2 411.727 3.859 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000007976580 568962960 /nfs/dbraw/zinc/96/29/60/568962960.db2.gz BTSSHIVUZRSVHC-UHFFFAOYSA-N 1 2 411.727 3.859 50 0 HHAALO Cc1ccc(-n2c(=O)c3ccc(Cl)cc3nc2SCC[NH+]2CCOCC2)cc1 ZINC000012815545 568989520 /nfs/dbraw/zinc/98/95/20/568989520.db2.gz WFRGKJWHENQDPC-UHFFFAOYSA-N 1 2 415.946 3.772 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324671 568991102 /nfs/dbraw/zinc/99/11/02/568991102.db2.gz ISUVUOYLGQRWJZ-NRFANRHFSA-N 1 2 404.495 3.504 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324671 568991105 /nfs/dbraw/zinc/99/11/05/568991105.db2.gz ISUVUOYLGQRWJZ-NRFANRHFSA-N 1 2 404.495 3.504 50 0 HHAALO CCOC(=O)N1CC[NH+](Cc2c(C)c(C)sc2NC(=O)c2cccs2)CC1 ZINC000038546817 569000567 /nfs/dbraw/zinc/00/05/67/569000567.db2.gz VRBLAESXTRORQX-UHFFFAOYSA-N 1 2 407.561 3.953 50 0 HHAALO C[C@@H]1CCN(C(=O)CSc2nnc(C[NH+]3CCCC3)o2)c2ccccc2S1 ZINC000008428821 569002489 /nfs/dbraw/zinc/00/24/89/569002489.db2.gz YYXOZGXIQPMDEQ-CQSZACIVSA-N 1 2 404.561 3.675 50 0 HHAALO CCNC(=O)c1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)c(C)o2)cc1 ZINC000015785919 569006723 /nfs/dbraw/zinc/00/67/23/569006723.db2.gz PHBWFPWQPKKWTE-UHFFFAOYSA-N 1 2 404.514 3.722 50 0 HHAALO Cc1ccc(C[N@@H+]2CCN(Cc3nc(-c4cccs4)oc3C)C[C@H]2CCO)o1 ZINC000104639919 569008019 /nfs/dbraw/zinc/00/80/19/569008019.db2.gz FKHUTDAGDSTDAC-QGZVFWFLSA-N 1 2 401.532 3.682 50 0 HHAALO Cc1ccc(C[N@H+]2CCN(Cc3nc(-c4cccs4)oc3C)C[C@H]2CCO)o1 ZINC000104639919 569008020 /nfs/dbraw/zinc/00/80/20/569008020.db2.gz FKHUTDAGDSTDAC-QGZVFWFLSA-N 1 2 401.532 3.682 50 0 HHAALO O=C(C1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1)N1CCCCCC1 ZINC000035269333 569015846 /nfs/dbraw/zinc/01/58/46/569015846.db2.gz JDUOYBVSBSPISJ-UHFFFAOYSA-N 1 2 402.926 3.603 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000012917604 569022831 /nfs/dbraw/zinc/02/28/31/569022831.db2.gz UTIXPPXKYJTENH-SFHVURJKSA-N 1 2 410.518 3.527 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1 ZINC000012917604 569022832 /nfs/dbraw/zinc/02/28/32/569022832.db2.gz UTIXPPXKYJTENH-SFHVURJKSA-N 1 2 410.518 3.527 50 0 HHAALO Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000012921781 569023071 /nfs/dbraw/zinc/02/30/71/569023071.db2.gz NMSWWCVOGBCKEP-UHFFFAOYSA-N 1 2 419.481 3.911 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C ZINC000012951002 569029574 /nfs/dbraw/zinc/02/95/74/569029574.db2.gz ZWLJSLGTTUJVFB-GOSISDBHSA-N 1 2 401.532 3.694 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1C ZINC000012951002 569029575 /nfs/dbraw/zinc/02/95/75/569029575.db2.gz ZWLJSLGTTUJVFB-GOSISDBHSA-N 1 2 401.532 3.694 50 0 HHAALO Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)o1 ZINC000035403594 569035586 /nfs/dbraw/zinc/03/55/86/569035586.db2.gz BZVINNRLKUHNCS-UHFFFAOYSA-N 1 2 404.514 3.796 50 0 HHAALO Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)c(C)c4)c3)CC2)o1 ZINC000035403594 569035587 /nfs/dbraw/zinc/03/55/87/569035587.db2.gz BZVINNRLKUHNCS-UHFFFAOYSA-N 1 2 404.514 3.796 50 0 HHAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609173 569042445 /nfs/dbraw/zinc/04/24/45/569042445.db2.gz HIRVRZAGIPSHNV-CQSZACIVSA-N 1 2 404.363 3.665 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769162 569057974 /nfs/dbraw/zinc/05/79/74/569057974.db2.gz XTJNUKARTOKOQU-UHFFFAOYSA-N 1 2 400.954 3.896 50 0 HHAALO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000035804748 569060538 /nfs/dbraw/zinc/06/05/38/569060538.db2.gz BLIBMJBXWOMEPO-IVZQSRNASA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000035804748 569060539 /nfs/dbraw/zinc/06/05/39/569060539.db2.gz BLIBMJBXWOMEPO-IVZQSRNASA-N 1 2 415.509 3.650 50 0 HHAALO Cc1cc2nc(C(=O)OC(C)C)c(N3CCN(c4cccc[nH+]4)CC3)nc2cc1C ZINC000064438581 569062196 /nfs/dbraw/zinc/06/21/96/569062196.db2.gz IZOUAZUTWGVPJJ-UHFFFAOYSA-N 1 2 405.502 3.533 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)sc2c1CCC2 ZINC000006602447 569069915 /nfs/dbraw/zinc/06/99/15/569069915.db2.gz UKGRNTIZIBQYAZ-MRXNPFEDSA-N 1 2 401.532 3.528 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)sc2c1CCC2 ZINC000006602447 569069916 /nfs/dbraw/zinc/06/99/16/569069916.db2.gz UKGRNTIZIBQYAZ-MRXNPFEDSA-N 1 2 401.532 3.528 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)Cc3nccs3)csc2C1 ZINC000426628778 569073750 /nfs/dbraw/zinc/07/37/50/569073750.db2.gz OUOJUNOKPYPRPU-UHFFFAOYSA-N 1 2 402.545 3.640 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)Cc3nccs3)csc2C1 ZINC000426628778 569073751 /nfs/dbraw/zinc/07/37/51/569073751.db2.gz OUOJUNOKPYPRPU-UHFFFAOYSA-N 1 2 402.545 3.640 50 0 HHAALO CC[C@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036026470 569079541 /nfs/dbraw/zinc/07/95/41/569079541.db2.gz HCWUSWBRRLWJEX-NZQKXSOJSA-N 1 2 419.569 3.769 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026477 569079571 /nfs/dbraw/zinc/07/95/71/569079571.db2.gz UHDUSOSFVJSKTI-XMSQKQJNSA-N 1 2 423.532 3.600 50 0 HHAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=O)c3cccc(F)c3)CC2)N(Cc2ccccc2)C1=O ZINC000036026694 569079750 /nfs/dbraw/zinc/07/97/50/569079750.db2.gz LVNAXMIBXJRHDU-PGRDOPGGSA-N 1 2 423.532 3.805 50 0 HHAALO CC[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc2c(c1)OCO2 ZINC000036082634 569087049 /nfs/dbraw/zinc/08/70/49/569087049.db2.gz ULMZOJOPCILEQN-INIZCTEOSA-N 1 2 422.485 3.529 50 0 HHAALO CC[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccncc2)co1)Cc1ccc2c(c1)OCO2 ZINC000036082634 569087050 /nfs/dbraw/zinc/08/70/50/569087050.db2.gz ULMZOJOPCILEQN-INIZCTEOSA-N 1 2 422.485 3.529 50 0 HHAALO CC[C@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036252085 569119742 /nfs/dbraw/zinc/11/97/42/569119742.db2.gz DZLAOLUXDJWKRC-JXFKEZNVSA-N 1 2 405.970 3.571 50 0 HHAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N(C)Cc3ccco3)C3CCCC3)CC2)cc1 ZINC000036250837 569119876 /nfs/dbraw/zinc/11/98/76/569119876.db2.gz WPNFBCGNFKTLEB-HSZRJFAPSA-N 1 2 423.557 3.563 50 0 HHAALO O=C(NCC1CCCCC1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000036255120 569120190 /nfs/dbraw/zinc/12/01/90/569120190.db2.gz QVJVUFHFBMMABT-OAQYLSRUSA-N 1 2 417.619 3.761 50 0 HHAALO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1 ZINC000036310392 569131551 /nfs/dbraw/zinc/13/15/51/569131551.db2.gz MIXHDENQEJRRDV-QFIPXVFZSA-N 1 2 424.545 3.613 50 0 HHAALO CC(C)(C)CC(=O)N1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)C2CCCC2)CC1 ZINC000036311180 569132182 /nfs/dbraw/zinc/13/21/82/569132182.db2.gz FUAMUJXVATXXSC-NRFANRHFSA-N 1 2 403.542 3.903 50 0 HHAALO COc1ccccc1[C@H](NC(=O)CSc1ccc(F)c(F)c1)c1[nH+]ccn1C ZINC000036395736 569168844 /nfs/dbraw/zinc/16/88/44/569168844.db2.gz SGFWRGBHBIPOOU-IBGZPJMESA-N 1 2 403.454 3.705 50 0 HHAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCCC[C@@H]4C)[nH+]cn3)cn2)cc1 ZINC000065239903 569203566 /nfs/dbraw/zinc/20/35/66/569203566.db2.gz ZJKIQTZEWQNJNP-INIZCTEOSA-N 1 2 406.490 3.692 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2)nc[nH+]1 ZINC000065244985 569204929 /nfs/dbraw/zinc/20/49/29/569204929.db2.gz GJHDGWPQEBXNBD-INIZCTEOSA-N 1 2 413.522 3.561 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2)[nH+]cn1 ZINC000065244985 569204930 /nfs/dbraw/zinc/20/49/30/569204930.db2.gz GJHDGWPQEBXNBD-INIZCTEOSA-N 1 2 413.522 3.561 50 0 HHAALO O=C(c1ccccc1F)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265878 569213074 /nfs/dbraw/zinc/21/30/74/569213074.db2.gz PRGXAZVEDJSGKV-DEOSSOPVSA-N 1 2 406.505 3.776 50 0 HHAALO CC1CCN(c2[nH+]cnc3c2cnn3CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000065295479 569218697 /nfs/dbraw/zinc/21/86/97/569218697.db2.gz DVWPEVTWIGZKNL-UHFFFAOYSA-N 1 2 418.423 3.720 50 0 HHAALO COc1ccc(CC(=O)Nc2ccc(Nc3cc(-n4cc[nH+]c4)ncn3)cc2)cc1 ZINC000036705793 569221895 /nfs/dbraw/zinc/22/18/95/569221895.db2.gz PBFIHGJAMOTCOI-UHFFFAOYSA-N 1 2 400.442 3.596 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000007360683 569235136 /nfs/dbraw/zinc/23/51/36/569235136.db2.gz DZXCMIGEJZXEGD-UHFFFAOYSA-N 1 2 409.490 3.781 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1nnc(-c2ccco2)o1 ZINC000007360683 569235137 /nfs/dbraw/zinc/23/51/37/569235137.db2.gz DZXCMIGEJZXEGD-UHFFFAOYSA-N 1 2 409.490 3.781 50 0 HHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007449901 569239393 /nfs/dbraw/zinc/23/93/93/569239393.db2.gz FACKROLNQNLKIN-CQSZACIVSA-N 1 2 402.420 3.825 50 0 HHAALO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000013322787 569254853 /nfs/dbraw/zinc/25/48/53/569254853.db2.gz NNWGNQVTZUCQAJ-UHFFFAOYSA-N 1 2 404.308 3.807 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000014403184 569259826 /nfs/dbraw/zinc/25/98/26/569259826.db2.gz ZEASRYZWQPMAFP-HXUWFJFHSA-N 1 2 410.474 3.591 50 0 HHAALO C[C@@H](c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016927220 569267585 /nfs/dbraw/zinc/26/75/85/569267585.db2.gz FPIHBXXKWBYNQJ-GJZGRUSLSA-N 1 2 421.998 3.894 50 0 HHAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N1CCCCCC1 ZINC000089913778 569268354 /nfs/dbraw/zinc/26/83/54/569268354.db2.gz MEXSFTKDJAMRHJ-HZPDHXFCSA-N 1 2 419.570 3.912 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000007696650 569300976 /nfs/dbraw/zinc/30/09/76/569300976.db2.gz SJKFCWFMJJLUJC-CQSZACIVSA-N 1 2 403.320 3.867 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000007696650 569300977 /nfs/dbraw/zinc/30/09/77/569300977.db2.gz SJKFCWFMJJLUJC-CQSZACIVSA-N 1 2 403.320 3.867 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000007696692 569301047 /nfs/dbraw/zinc/30/10/47/569301047.db2.gz DQCVQRJNBUAUEM-UHFFFAOYSA-N 1 2 410.312 3.814 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000007696692 569301048 /nfs/dbraw/zinc/30/10/48/569301048.db2.gz DQCVQRJNBUAUEM-UHFFFAOYSA-N 1 2 410.312 3.814 50 0 HHAALO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000253419149 569367724 /nfs/dbraw/zinc/36/77/24/569367724.db2.gz JZFSZIXWHHXPHF-UGSOOPFHSA-N 1 2 403.408 3.920 50 0 HHAALO O=C(c1cn2cc(C(F)(F)F)cc(Cl)c2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263639750 571043644 /nfs/dbraw/zinc/04/36/44/571043644.db2.gz HIFOSADRVPBYHE-UHFFFAOYSA-N 1 2 422.838 3.965 50 0 HHAALO C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000069056493 571180820 /nfs/dbraw/zinc/18/08/20/571180820.db2.gz JILFXTLQZLRITG-MRXNPFEDSA-N 1 2 423.454 3.714 50 0 HHAALO C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000069056491 571180859 /nfs/dbraw/zinc/18/08/59/571180859.db2.gz JILFXTLQZLRITG-INIZCTEOSA-N 1 2 423.454 3.714 50 0 HHAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)CC)cc1 ZINC000245326982 571225139 /nfs/dbraw/zinc/22/51/39/571225139.db2.gz HOTRYOCWFBYLBN-YLJYHZDGSA-N 1 2 415.534 3.783 50 0 HHAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)CC)cc1 ZINC000245326982 571225141 /nfs/dbraw/zinc/22/51/41/571225141.db2.gz HOTRYOCWFBYLBN-YLJYHZDGSA-N 1 2 415.534 3.783 50 0 HHAALO CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000009265335 571243965 /nfs/dbraw/zinc/24/39/65/571243965.db2.gz SLEHVRUJJFWEIG-UHFFFAOYSA-N 1 2 421.497 3.862 50 0 HHAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)n(-c2ccccc2)n1 ZINC000009469427 571261472 /nfs/dbraw/zinc/26/14/72/571261472.db2.gz ZFEYMFXNHHZEHT-UHFFFAOYSA-N 1 2 403.530 3.851 50 0 HHAALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)n(-c2ccccc2)n1 ZINC000009469427 571261474 /nfs/dbraw/zinc/26/14/74/571261474.db2.gz ZFEYMFXNHHZEHT-UHFFFAOYSA-N 1 2 403.530 3.851 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCc2ccc(F)cc2)c(C)c1 ZINC000009517760 571265400 /nfs/dbraw/zinc/26/54/00/571265400.db2.gz CDULGYXMDVOHKT-UHFFFAOYSA-N 1 2 421.501 3.980 50 0 HHAALO Cc1cccc2c(=O)n(CCCC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cnc12 ZINC000010164056 571295738 /nfs/dbraw/zinc/29/57/38/571295738.db2.gz JBTCEEGHHVRFGT-GOSISDBHSA-N 1 2 415.497 3.548 50 0 HHAALO O=C(Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1)c1cccc2ccccc21 ZINC000077196638 571312429 /nfs/dbraw/zinc/31/24/29/571312429.db2.gz BPZMCZZKMIBWEP-UHFFFAOYSA-N 1 2 410.481 3.604 50 0 HHAALO Cc1nc(C)c(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)nc1C ZINC000011753660 962180255 /nfs/dbraw/zinc/18/02/55/962180255.db2.gz CFQUNHNXDRHOKA-QFIPXVFZSA-N 1 2 404.518 3.581 50 0 HHAALO Cc1nc(C)c(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)nc1C ZINC000011753660 962180263 /nfs/dbraw/zinc/18/02/63/962180263.db2.gz CFQUNHNXDRHOKA-QFIPXVFZSA-N 1 2 404.518 3.581 50 0 HHAALO CCCCc1ncc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)[nH]1 ZINC000012301396 962267542 /nfs/dbraw/zinc/26/75/42/962267542.db2.gz FENRLBSYJDQSGI-WXVUKLJWSA-N 1 2 408.546 3.699 50 0 HHAALO CCCCc1ncc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@@H+]24)[nH]1 ZINC000012301396 962267553 /nfs/dbraw/zinc/26/75/53/962267553.db2.gz FENRLBSYJDQSGI-WXVUKLJWSA-N 1 2 408.546 3.699 50 0 HHAALO Cn1cc(C[N@@H+]2CCOc3ccc([C@@H](O)c4c(F)cccc4Cl)cc3C2)cn1 ZINC000015067050 962645496 /nfs/dbraw/zinc/64/54/96/962645496.db2.gz FZTTUPGYRFZQLB-OAQYLSRUSA-N 1 2 401.869 3.689 50 0 HHAALO Cn1cc(C[N@H+]2CCOc3ccc([C@@H](O)c4c(F)cccc4Cl)cc3C2)cn1 ZINC000015067050 962645507 /nfs/dbraw/zinc/64/55/07/962645507.db2.gz FZTTUPGYRFZQLB-OAQYLSRUSA-N 1 2 401.869 3.689 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)N(Cc1ccccc1F)C1CC1 ZINC000022777623 963713741 /nfs/dbraw/zinc/71/37/41/963713741.db2.gz AJCGEVUVIZPDOD-RMKNXTFCSA-N 1 2 407.533 3.648 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000096841586 969052584 /nfs/dbraw/zinc/05/25/84/969052584.db2.gz FQJVHYIFHBARJM-YHYXMXQVSA-N 1 2 424.888 3.645 50 0 HHAALO O[C@H](c1ccc2c(c1)C[N@@H+](Cc1cnn(-c3ccccc3)c1)CCO2)c1ccccn1 ZINC000299757616 970720900 /nfs/dbraw/zinc/72/09/00/970720900.db2.gz HSEMJXPXFBNQCU-RUZDIDTESA-N 1 2 412.493 3.744 50 0 HHAALO O[C@H](c1ccc2c(c1)C[N@H+](Cc1cnn(-c3ccccc3)c1)CCO2)c1ccccn1 ZINC000299757616 970720911 /nfs/dbraw/zinc/72/09/11/970720911.db2.gz HSEMJXPXFBNQCU-RUZDIDTESA-N 1 2 412.493 3.744 50 0 HHAALO Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1C[N@H+](C)C/C=C/c1ccco1 ZINC000299785342 970723951 /nfs/dbraw/zinc/72/39/51/970723951.db2.gz YKTPFJCZMGRCAC-SOFGYWHQSA-N 1 2 401.488 3.760 50 0 HHAALO Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1C[N@@H+](C)C/C=C/c1ccco1 ZINC000299785342 970723979 /nfs/dbraw/zinc/72/39/79/970723979.db2.gz YKTPFJCZMGRCAC-SOFGYWHQSA-N 1 2 401.488 3.760 50 0 HHAALO COCCN1CC2(CCCC2)[N@H+](Cc2cn(-c3ccccc3)nc2CC(C)C)CC1=O ZINC000409419651 972890289 /nfs/dbraw/zinc/89/02/89/972890289.db2.gz ZGGPRSRYTXBQCP-UHFFFAOYSA-N 1 2 424.589 3.674 50 0 HHAALO COCCN1CC2(CCCC2)[N@@H+](Cc2cn(-c3ccccc3)nc2CC(C)C)CC1=O ZINC000409419651 972890299 /nfs/dbraw/zinc/89/02/99/972890299.db2.gz ZGGPRSRYTXBQCP-UHFFFAOYSA-N 1 2 424.589 3.674 50 0 HHAALO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(C)c4C)CC3)C2=O)cc1Cl ZINC000003503638 132266607 /nfs/dbraw/zinc/26/66/07/132266607.db2.gz IMNDVYRFNIOZRP-OAQYLSRUSA-N 1 2 411.933 3.719 50 0 HHAALO Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000006705577 132313264 /nfs/dbraw/zinc/31/32/64/132313264.db2.gz RBHXHEIFKPRCIL-UHFFFAOYSA-N 1 2 422.479 3.925 50 0 HHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000008156500 132327993 /nfs/dbraw/zinc/32/79/93/132327993.db2.gz VGFKPIMFRCJBAZ-HXUWFJFHSA-N 1 2 406.555 3.782 50 0 HHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000008156500 132327995 /nfs/dbraw/zinc/32/79/95/132327995.db2.gz VGFKPIMFRCJBAZ-HXUWFJFHSA-N 1 2 406.555 3.782 50 0 HHAALO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(c4[nH]c5ccccc5[nH+]4)C3)CC2)c1 ZINC000033071645 132776184 /nfs/dbraw/zinc/77/61/84/132776184.db2.gz AYAYCAAVLKNMHB-FQEVSTJZSA-N 1 2 417.557 3.745 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560302 520509389 /nfs/dbraw/zinc/50/93/89/520509389.db2.gz LCXOXZIDTMJDEH-QFIPXVFZSA-N 1 2 407.514 3.688 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560302 520509393 /nfs/dbraw/zinc/50/93/93/520509393.db2.gz LCXOXZIDTMJDEH-QFIPXVFZSA-N 1 2 407.514 3.688 50 0 HHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 ZINC000032848222 520971949 /nfs/dbraw/zinc/97/19/49/520971949.db2.gz OKUSULVUVDDJST-UHFFFAOYSA-N 1 2 404.514 3.603 50 0 HHAALO CC[N@H+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)Cc1ccc(OC)c(F)c1 ZINC000032751545 521445173 /nfs/dbraw/zinc/44/51/73/521445173.db2.gz PFKCYCZHNWZIMP-UHFFFAOYSA-N 1 2 401.438 3.924 50 0 HHAALO CC[N@@H+](Cc1nc(-c2ccc(OC)c(OC)c2)no1)Cc1ccc(OC)c(F)c1 ZINC000032751545 521445180 /nfs/dbraw/zinc/44/51/80/521445180.db2.gz PFKCYCZHNWZIMP-UHFFFAOYSA-N 1 2 401.438 3.924 50 0 HHAALO CCc1[nH]c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c(C)c1C(=O)OC ZINC000032772759 523660944 /nfs/dbraw/zinc/66/09/44/523660944.db2.gz BRPTVZQEEPVRLI-SFHVURJKSA-N 1 2 414.893 3.578 50 0 HHAALO COc1ccccc1CCNC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752929 524413893 /nfs/dbraw/zinc/41/38/93/524413893.db2.gz CERWLHOQPLEAAP-UHFFFAOYSA-N 1 2 410.474 3.710 50 0 HHAALO COc1ccc(NC(=O)O[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C(F)(F)F)cc1 ZINC000020219008 524581971 /nfs/dbraw/zinc/58/19/71/524581971.db2.gz DDOZUZJJCJMVRK-IBGZPJMESA-N 1 2 423.435 3.997 50 0 HHAALO COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1 ZINC000022877308 524864364 /nfs/dbraw/zinc/86/43/64/524864364.db2.gz QKCZREPJICYRIJ-AWEZNQCLSA-N 1 2 423.966 3.564 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000245311649 524928472 /nfs/dbraw/zinc/92/84/72/524928472.db2.gz PNWRSFZTCKAQCO-IVAOSVALSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000245311649 524928483 /nfs/dbraw/zinc/92/84/83/524928483.db2.gz PNWRSFZTCKAQCO-IVAOSVALSA-N 1 2 422.912 3.792 50 0 HHAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000032716606 524953535 /nfs/dbraw/zinc/95/35/35/524953535.db2.gz OWGZDRCVNYNHCV-UHFFFAOYSA-N 1 2 424.472 3.931 50 0 HHAALO Cc1ccccc1Cn1cc(NC(=S)N2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000020028684 525211771 /nfs/dbraw/zinc/21/17/71/525211771.db2.gz GKZYFYKKGDXDHD-UHFFFAOYSA-N 1 2 423.561 3.894 50 0 HHAALO COc1ccc2nc(C)c(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)cc2c1 ZINC000029707770 525662068 /nfs/dbraw/zinc/66/20/68/525662068.db2.gz HFZAKGCRJKIIKA-UHFFFAOYSA-N 1 2 419.529 3.736 50 0 HHAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)CCO5)CC3)c2cc1C ZINC000022806296 525689673 /nfs/dbraw/zinc/68/96/73/525689673.db2.gz ZACSUUBETNQTAW-UHFFFAOYSA-N 1 2 404.510 3.663 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)Nc1cc(Br)ccc1Br ZINC000044078702 526289685 /nfs/dbraw/zinc/28/96/85/526289685.db2.gz APLIDOYXSBEYOK-UHFFFAOYSA-N 1 2 402.090 3.620 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1)c1ccccc1 ZINC000032932568 527453096 /nfs/dbraw/zinc/45/30/96/527453096.db2.gz CFWFNYTYFOALGU-NRFANRHFSA-N 1 2 411.465 3.587 50 0 HHAALO COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(=O)C[NH+]2CCCC2)c1 ZINC000000862772 557104632 /nfs/dbraw/zinc/10/46/32/557104632.db2.gz UASKAQAXIXLENL-UHFFFAOYSA-N 1 2 408.454 3.715 50 0 HHAALO CCN(CC)c1cc(C)c2cc(NC(=O)Cn3c4ccccc4oc3=O)ccc2[nH+]1 ZINC000004757364 557594628 /nfs/dbraw/zinc/59/46/28/557594628.db2.gz RZDAVKXOXMKKDO-UHFFFAOYSA-N 1 2 404.470 3.936 50 0 biogenic HHAALO CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000004845710 557605640 /nfs/dbraw/zinc/60/56/40/557605640.db2.gz OJYXUZGMWZBEBE-QFGUUYLXSA-N 1 2 413.499 3.531 50 0 HHAALO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022766782 557814724 /nfs/dbraw/zinc/81/47/24/557814724.db2.gz BKODGGDRFIMNGA-NRFANRHFSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022766782 557814729 /nfs/dbraw/zinc/81/47/29/557814729.db2.gz BKODGGDRFIMNGA-NRFANRHFSA-N 1 2 423.513 3.742 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000022767443 557815271 /nfs/dbraw/zinc/81/52/71/557815271.db2.gz CEUQRNXTKIHPON-HXUWFJFHSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000022767443 557815274 /nfs/dbraw/zinc/81/52/74/557815274.db2.gz CEUQRNXTKIHPON-HXUWFJFHSA-N 1 2 416.543 3.965 50 0 HHAALO Cn1cc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011768033 558274061 /nfs/dbraw/zinc/27/40/61/558274061.db2.gz VZUNYVSYNCXUOM-UHFFFAOYSA-N 1 2 400.482 3.898 50 0 HHAALO Cn1cc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011768033 558274062 /nfs/dbraw/zinc/27/40/62/558274062.db2.gz VZUNYVSYNCXUOM-UHFFFAOYSA-N 1 2 400.482 3.898 50 0 HHAALO CCn1c(C)[nH+]c2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NCC(C)C)c21 ZINC000011787947 558276714 /nfs/dbraw/zinc/27/67/14/558276714.db2.gz OCAYQOVGBZHGLI-UHFFFAOYSA-N 1 2 414.531 3.551 50 0 HHAALO COc1cccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)c1OC ZINC000019781669 558281148 /nfs/dbraw/zinc/28/11/48/558281148.db2.gz PGKJVWBXAZLFKQ-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO COc1cccc(CN2CC[NH+](Cc3ccccc3Br)CC2)c1OC ZINC000019781669 558281149 /nfs/dbraw/zinc/28/11/49/558281149.db2.gz PGKJVWBXAZLFKQ-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019823099 558290786 /nfs/dbraw/zinc/29/07/86/558290786.db2.gz DRQMCMXVSCMUMN-UHFFFAOYSA-N 1 2 416.905 3.571 50 0 HHAALO O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019834883 558292524 /nfs/dbraw/zinc/29/25/24/558292524.db2.gz LQHIOUUVJHEHQF-UHFFFAOYSA-N 1 2 407.392 3.784 50 0 HHAALO Fc1cc(Cl)ccc1NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019867827 558299340 /nfs/dbraw/zinc/29/93/40/558299340.db2.gz BRFIJKZVZUEUJP-UHFFFAOYSA-N 1 2 407.898 3.722 50 0 HHAALO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc2ccccc21 ZINC000019938180 558312788 /nfs/dbraw/zinc/31/27/88/558312788.db2.gz HWKCPKJRSZIINX-UHFFFAOYSA-N 1 2 405.523 3.799 50 0 HHAALO CCOc1ccc(CN2CC[N@H+](C/C=C/c3ccccc3OC)C[C@@H]2CCO)cc1 ZINC000020201564 558345567 /nfs/dbraw/zinc/34/55/67/558345567.db2.gz LNDUVYGXYZIAIR-DRGXBFSJSA-N 1 2 410.558 3.676 50 0 HHAALO CCOc1ccc(CN2CC[N@@H+](C/C=C/c3ccccc3OC)C[C@@H]2CCO)cc1 ZINC000020201564 558345570 /nfs/dbraw/zinc/34/55/70/558345570.db2.gz LNDUVYGXYZIAIR-DRGXBFSJSA-N 1 2 410.558 3.676 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C ZINC000020234400 558350523 /nfs/dbraw/zinc/35/05/23/558350523.db2.gz DNHYOAIUKCOWJH-DEOSSOPVSA-N 1 2 410.558 3.583 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)c(C)c1C ZINC000020234400 558350524 /nfs/dbraw/zinc/35/05/24/558350524.db2.gz DNHYOAIUKCOWJH-DEOSSOPVSA-N 1 2 410.558 3.583 50 0 HHAALO Cc1cccc2c(C(=O)NCC[NH+]3CCOCC3)cc(-c3ccccc3Cl)nc12 ZINC000020418366 558361415 /nfs/dbraw/zinc/36/14/15/558361415.db2.gz NZOYMUOVOVIHLT-UHFFFAOYSA-N 1 2 409.917 3.926 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1Br ZINC000020432560 558363049 /nfs/dbraw/zinc/36/30/49/558363049.db2.gz UKXHDCQKBKFOHH-RMKNXTFCSA-N 1 2 414.347 3.719 50 0 HHAALO Cn1cc[nH+]c1CN1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012307345 558375872 /nfs/dbraw/zinc/37/58/72/558375872.db2.gz GEYFVWKYAXRBHP-HXUWFJFHSA-N 1 2 400.486 3.567 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020508744 558381779 /nfs/dbraw/zinc/38/17/79/558381779.db2.gz GTEFZTSASKKOIR-RMKNXTFCSA-N 1 2 403.448 3.975 50 0 HHAALO Cc1ccc(OCn2ccc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)n2)c(C)c1 ZINC000020528476 558383967 /nfs/dbraw/zinc/38/39/67/558383967.db2.gz FTKKEXNXYOAIRN-UHFFFAOYSA-N 1 2 422.504 3.634 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)Nc1nccs1 ZINC000004341706 558425496 /nfs/dbraw/zinc/42/54/96/558425496.db2.gz LLQGCHKRVVFQBF-UHFFFAOYSA-N 1 2 402.892 3.656 50 0 HHAALO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022184492 558465440 /nfs/dbraw/zinc/46/54/40/558465440.db2.gz UGIGIGYLSFLGDV-VFNWGFHPSA-N 1 2 421.522 3.868 50 0 HHAALO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022184492 558465442 /nfs/dbraw/zinc/46/54/42/558465442.db2.gz UGIGIGYLSFLGDV-VFNWGFHPSA-N 1 2 421.522 3.868 50 0 HHAALO CCCCNc1nnc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000012795565 558468444 /nfs/dbraw/zinc/46/84/44/558468444.db2.gz PUOCFVRDERICRZ-MRXNPFEDSA-N 1 2 419.620 3.575 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000012981163 558493439 /nfs/dbraw/zinc/49/34/39/558493439.db2.gz PDVSISMORYJWJE-INIZCTEOSA-N 1 2 411.527 3.828 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000012981163 558493441 /nfs/dbraw/zinc/49/34/41/558493441.db2.gz PDVSISMORYJWJE-INIZCTEOSA-N 1 2 411.527 3.828 50 0 HHAALO O=C(NCc1ccc(COCC(F)(F)F)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000012985224 558494969 /nfs/dbraw/zinc/49/49/69/558494969.db2.gz OGTXBGUSYBZNPH-UHFFFAOYSA-N 1 2 422.451 3.760 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000022749895 558507284 /nfs/dbraw/zinc/50/72/84/558507284.db2.gz NQXFYHJDWCHDMY-FQEVSTJZSA-N 1 2 421.888 3.962 50 0 HHAALO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000022931649 558524429 /nfs/dbraw/zinc/52/44/29/558524429.db2.gz TWNANCVZDFVQHP-INIZCTEOSA-N 1 2 424.353 3.505 50 0 HHAALO COc1cc(C[N@@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)cc(OC)c1 ZINC000023358521 558551448 /nfs/dbraw/zinc/55/14/48/558551448.db2.gz JRNXBEGUNPVNJR-KRWDZBQOSA-N 1 2 422.928 3.565 50 0 HHAALO COc1cc(C[N@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)cc(OC)c1 ZINC000023358521 558551450 /nfs/dbraw/zinc/55/14/50/558551450.db2.gz JRNXBEGUNPVNJR-KRWDZBQOSA-N 1 2 422.928 3.565 50 0 HHAALO COc1cccc(C[N@H+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000023383706 558556252 /nfs/dbraw/zinc/55/62/52/558556252.db2.gz GOADSVOHBJPBNE-UHFFFAOYSA-N 1 2 415.493 3.580 50 0 HHAALO COc1cccc(C[N@@H+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1 ZINC000023383706 558556254 /nfs/dbraw/zinc/55/62/54/558556254.db2.gz GOADSVOHBJPBNE-UHFFFAOYSA-N 1 2 415.493 3.580 50 0 HHAALO C[C@@H](NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000023477202 558559157 /nfs/dbraw/zinc/55/91/57/558559157.db2.gz OIGMVDUJPGEYLO-MRXNPFEDSA-N 1 2 406.357 3.988 50 0 HHAALO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023667957 558566674 /nfs/dbraw/zinc/56/66/74/558566674.db2.gz RSBVMZWNKLCRKU-ZDUSSCGKSA-N 1 2 409.864 3.674 50 0 HHAALO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023667957 558566675 /nfs/dbraw/zinc/56/66/75/558566675.db2.gz RSBVMZWNKLCRKU-ZDUSSCGKSA-N 1 2 409.864 3.674 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013681458 558566789 /nfs/dbraw/zinc/56/67/89/558566789.db2.gz SPNNTYNWHYVRGR-QATBIIFWSA-N 1 2 419.431 3.736 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000013681458 558566793 /nfs/dbraw/zinc/56/67/93/558566793.db2.gz SPNNTYNWHYVRGR-QATBIIFWSA-N 1 2 419.431 3.736 50 0 HHAALO Cc1nn(CC(C)C)c2sc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc12 ZINC000023818139 558576784 /nfs/dbraw/zinc/57/67/84/558576784.db2.gz DSVUERPYIRYCSU-UHFFFAOYSA-N 1 2 418.607 3.827 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@H](O)C2)sc(C)c1-c1ccc(C)cc1 ZINC000023991912 558583834 /nfs/dbraw/zinc/58/38/34/558583834.db2.gz PPOLAZDKAWQWFV-KRWDZBQOSA-N 1 2 416.543 3.604 50 0 HHAALO CCOC(=O)c1c(NC(=O)C[N@H+]2CCC[C@H](O)C2)sc(C)c1-c1ccc(C)cc1 ZINC000023991912 558583835 /nfs/dbraw/zinc/58/38/35/558583835.db2.gz PPOLAZDKAWQWFV-KRWDZBQOSA-N 1 2 416.543 3.604 50 0 HHAALO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014068786 558617193 /nfs/dbraw/zinc/61/71/93/558617193.db2.gz HFHKAIIJHXSMOP-QHCPKHFHSA-N 1 2 423.557 3.610 50 0 HHAALO Cc1ccccc1N1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000024843149 558617251 /nfs/dbraw/zinc/61/72/51/558617251.db2.gz BQJPVHBEAQVCLF-UHFFFAOYSA-N 1 2 415.541 3.819 50 0 HHAALO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000025009586 558627115 /nfs/dbraw/zinc/62/71/15/558627115.db2.gz JPKKZSWWUDCZQQ-MHZGPWMTSA-N 1 2 421.545 3.563 50 0 HHAALO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1OCc1ccccc1 ZINC000014199182 558635218 /nfs/dbraw/zinc/63/52/18/558635218.db2.gz YOUCIOZXDQJNPI-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1OCc1ccccc1 ZINC000014199182 558635220 /nfs/dbraw/zinc/63/52/20/558635220.db2.gz YOUCIOZXDQJNPI-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1ccc(C(=O)N2CC[NH+](Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)cc1OC ZINC000025286306 558636739 /nfs/dbraw/zinc/63/67/39/558636739.db2.gz CFMZMIZMTOJIOL-UHFFFAOYSA-N 1 2 424.541 3.790 50 0 HHAALO Cc1cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n2ncnc2n1 ZINC000014202300 558637569 /nfs/dbraw/zinc/63/75/69/558637569.db2.gz VJPSQIWHXKFDTQ-UHFFFAOYSA-N 1 2 420.467 3.623 50 0 HHAALO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231824 558640124 /nfs/dbraw/zinc/64/01/24/558640124.db2.gz WKTZBOCWWWNZGW-JLTOFOAXSA-N 1 2 422.367 3.975 50 0 HHAALO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(Br)cc1)C2=O ZINC000014231824 558640126 /nfs/dbraw/zinc/64/01/26/558640126.db2.gz WKTZBOCWWWNZGW-JLTOFOAXSA-N 1 2 422.367 3.975 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccc(Cl)s2)NC(=O)N[C@H]1c1ccco1 ZINC000026854422 558665858 /nfs/dbraw/zinc/66/58/58/558665858.db2.gz DRBPQEVLFWFXIU-KRWDZBQOSA-N 1 2 423.922 3.688 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccc(Cl)s2)NC(=O)N[C@H]1c1ccco1 ZINC000026854422 558665860 /nfs/dbraw/zinc/66/58/60/558665860.db2.gz DRBPQEVLFWFXIU-KRWDZBQOSA-N 1 2 423.922 3.688 50 0 HHAALO CCN(C(=O)CN1CC[NH+](Cc2ccccc2F)CC1)c1nc2ccccc2s1 ZINC000026869511 558666042 /nfs/dbraw/zinc/66/60/42/558666042.db2.gz DENWDSWNXYDTJV-UHFFFAOYSA-N 1 2 412.534 3.606 50 0 HHAALO NC(=O)[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000014774655 558672373 /nfs/dbraw/zinc/67/23/73/558672373.db2.gz WZDQFOMUQMLPRM-NRFANRHFSA-N 1 2 421.570 3.631 50 0 HHAALO O=C(NCCc1ccccc1)c1cccc(OC2CC[NH+](Cc3ccon3)CC2)c1 ZINC000014949369 558680586 /nfs/dbraw/zinc/68/05/86/558680586.db2.gz OEFPIIFMSXVRKW-UHFFFAOYSA-N 1 2 405.498 3.691 50 0 HHAALO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000027988676 558687555 /nfs/dbraw/zinc/68/75/55/558687555.db2.gz VQPUDIXNKUEAJQ-UHFFFAOYSA-N 1 2 424.555 3.876 50 0 HHAALO CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000027988676 558687559 /nfs/dbraw/zinc/68/75/59/558687559.db2.gz VQPUDIXNKUEAJQ-UHFFFAOYSA-N 1 2 424.555 3.876 50 0 HHAALO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 ZINC000015064528 558707197 /nfs/dbraw/zinc/70/71/97/558707197.db2.gz LQAYWGBRHOKGMB-HXUWFJFHSA-N 1 2 401.470 3.831 50 0 HHAALO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cn1 ZINC000015064528 558707200 /nfs/dbraw/zinc/70/72/00/558707200.db2.gz LQAYWGBRHOKGMB-HXUWFJFHSA-N 1 2 401.470 3.831 50 0 HHAALO CCCCn1c(C[N@@H+]2CCc3sccc3[C@H]2C)nc2cc(S(N)(=O)=O)ccc21 ZINC000015547813 558743625 /nfs/dbraw/zinc/74/36/25/558743625.db2.gz VRNLUHDEVWWLLM-CQSZACIVSA-N 1 2 418.588 3.665 50 0 HHAALO CCCCn1c(C[N@H+]2CCc3sccc3[C@H]2C)nc2cc(S(N)(=O)=O)ccc21 ZINC000015547813 558743628 /nfs/dbraw/zinc/74/36/28/558743628.db2.gz VRNLUHDEVWWLLM-CQSZACIVSA-N 1 2 418.588 3.665 50 0 HHAALO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)C(=O)OCC ZINC000004571870 558746365 /nfs/dbraw/zinc/74/63/65/558746365.db2.gz DUFZPPFRRJGQSR-HXUWFJFHSA-N 1 2 414.546 3.823 50 0 HHAALO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@H](C)C(=O)OCC ZINC000004571870 558746368 /nfs/dbraw/zinc/74/63/68/558746368.db2.gz DUFZPPFRRJGQSR-HXUWFJFHSA-N 1 2 414.546 3.823 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000072305224 558758145 /nfs/dbraw/zinc/75/81/45/558758145.db2.gz LHUXTFSETGOBKJ-HOCLYGCPSA-N 1 2 420.859 3.677 50 0 HHAALO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(Cl)c2)C1 ZINC000072305224 558758148 /nfs/dbraw/zinc/75/81/48/558758148.db2.gz LHUXTFSETGOBKJ-HOCLYGCPSA-N 1 2 420.859 3.677 50 0 HHAALO C[C@@H]1Cc2cccc3c2n1cc(C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c3=O ZINC000033089152 558760934 /nfs/dbraw/zinc/76/09/34/558760934.db2.gz UCLPDTIUGHSNKE-MBNRZODZSA-N 1 2 413.521 3.590 50 0 HHAALO CCC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2Cl)C1=O ZINC000016046996 558770561 /nfs/dbraw/zinc/77/05/61/558770561.db2.gz NQUMAEAIVKSKPG-QFIPXVFZSA-N 1 2 415.921 3.856 50 0 HHAALO CCC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2Cl)C1=O ZINC000016046996 558770562 /nfs/dbraw/zinc/77/05/62/558770562.db2.gz NQUMAEAIVKSKPG-QFIPXVFZSA-N 1 2 415.921 3.856 50 0 HHAALO O=S(=O)(c1cc(Cl)sc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000035600983 558793861 /nfs/dbraw/zinc/79/38/61/558793861.db2.gz KPNRMJKJUPPUAZ-UHFFFAOYSA-N 1 2 405.372 3.604 50 0 HHAALO O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000035622981 558794681 /nfs/dbraw/zinc/79/46/81/558794681.db2.gz NEFRSIVZJIGIQF-UHFFFAOYSA-N 1 2 406.722 3.553 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1N=CC[C@H]1c1ccccc1 ZINC000035851586 558795409 /nfs/dbraw/zinc/79/54/09/558795409.db2.gz XAVWAJLERPJQTB-FQEVSTJZSA-N 1 2 416.447 3.787 50 0 HHAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccccc1F)C2 ZINC000018223041 558834157 /nfs/dbraw/zinc/83/41/57/558834157.db2.gz GVFONCALCWAOSM-QGZVFWFLSA-N 1 2 417.488 3.558 50 0 HHAALO Cc1ccc(-c2nnc(CCC(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)o2)s1 ZINC000019111213 558841737 /nfs/dbraw/zinc/84/17/37/558841737.db2.gz YTRQUZXBQWDDCV-QGZVFWFLSA-N 1 2 407.499 3.793 50 0 HHAALO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1ccccc1F ZINC000013544582 558842702 /nfs/dbraw/zinc/84/27/02/558842702.db2.gz CGQMHZOQXHSZOD-UHFFFAOYSA-N 1 2 401.551 3.919 50 0 HHAALO CCOc1cc(CNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)ccc1OC ZINC000033071026 558866109 /nfs/dbraw/zinc/86/61/09/558866109.db2.gz UXVXUNNLBZAGKW-UHFFFAOYSA-N 1 2 408.502 3.503 50 0 HHAALO COC(=O)c1ccc(-c2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)cc1 ZINC000055035896 558870055 /nfs/dbraw/zinc/87/00/55/558870055.db2.gz CTVGJLZLOWKRNC-SFHVURJKSA-N 1 2 408.454 3.708 50 0 HHAALO COC(=O)c1ccc(-c2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)cc1 ZINC000055035896 558870059 /nfs/dbraw/zinc/87/00/59/558870059.db2.gz CTVGJLZLOWKRNC-SFHVURJKSA-N 1 2 408.454 3.708 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(Cl)cc1 ZINC000033161231 558896027 /nfs/dbraw/zinc/89/60/27/558896027.db2.gz VBRVSCWWAIEPJE-MOPGFXCFSA-N 1 2 412.852 3.611 50 0 HHAALO O=C(NCc1nc(-c2ccccc2)cs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000059853072 558939725 /nfs/dbraw/zinc/93/97/25/558939725.db2.gz MAFWJRNSRRGEOO-UHFFFAOYSA-N 1 2 422.554 3.642 50 0 HHAALO COc1ccc(C(=O)CC[NH2+]c2ccc(N3CCOCC3)c(Cl)c2)cc1OC ZINC000019626923 558947327 /nfs/dbraw/zinc/94/73/27/558947327.db2.gz PJWYFLXQADFKOL-UHFFFAOYSA-N 1 2 404.894 3.879 50 0 biogenic,in-vitro HHAALO Cc1nnsc1C(=O)Nc1ccc(Nc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000065365654 558976671 /nfs/dbraw/zinc/97/66/71/558976671.db2.gz FHXMJBPXGFXADW-UHFFFAOYSA-N 1 2 409.519 3.931 50 0 HHAALO O=C(Cc1ccc(F)cc1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997301 558982493 /nfs/dbraw/zinc/98/24/93/558982493.db2.gz NIKURSJRKLJZQY-UHFFFAOYSA-N 1 2 413.518 3.733 50 0 HHAALO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000022025276 558985036 /nfs/dbraw/zinc/98/50/36/558985036.db2.gz XZIMEVJKYKVFTN-QGZVFWFLSA-N 1 2 406.486 3.653 50 0 HHAALO O=C1C([C@H](c2cccc(F)c2)N2CC[NH+](Cc3ccccc3)CC2)Sc2ncnn21 ZINC000022031252 558985360 /nfs/dbraw/zinc/98/53/60/558985360.db2.gz IZYUABCODVDGLV-IBGZPJMESA-N 1 2 423.517 3.543 50 0 HHAALO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000096983475 558987155 /nfs/dbraw/zinc/98/71/55/558987155.db2.gz ZZUVYRJUPBLAKI-VWLOTQADSA-N 1 2 411.509 3.605 50 0 HHAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)[nH+]c(C)n2)n1 ZINC000067613613 558989345 /nfs/dbraw/zinc/98/93/45/558989345.db2.gz WRIAWRIJOFHUNL-UHFFFAOYSA-N 1 2 419.533 3.559 50 0 HHAALO COc1cccc(OC)c1C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106387 559010163 /nfs/dbraw/zinc/01/01/63/559010163.db2.gz IROOLYJVUMFSGZ-OAQYLSRUSA-N 1 2 420.509 3.660 50 0 HHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCN(c3ccccc3)CC1)S2 ZINC000023156806 559022692 /nfs/dbraw/zinc/02/26/92/559022692.db2.gz QJPMUERUSYFBSM-IBGZPJMESA-N 1 2 405.527 3.716 50 0 HHAALO COc1ccc(OC)c(NC(=S)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182219 559031871 /nfs/dbraw/zinc/03/18/71/559031871.db2.gz AAJSFOSVQCJWBG-KUHUBIRLSA-N 1 2 421.588 3.514 50 0 HHAALO CCCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000043766815 559049440 /nfs/dbraw/zinc/04/94/40/559049440.db2.gz QXSPVKVDGTZAMA-DOIPELPJSA-N 1 2 420.896 3.944 50 0 HHAALO CCCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000043766815 559049441 /nfs/dbraw/zinc/04/94/41/559049441.db2.gz QXSPVKVDGTZAMA-DOIPELPJSA-N 1 2 420.896 3.944 50 0 HHAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=S)Nc3ccc(F)cc3)CC2)N([C@@H](C)CC)C1=O ZINC000096211054 559101558 /nfs/dbraw/zinc/10/15/58/559101558.db2.gz HZJRUVLRAICOKQ-TXPKVOOTSA-N 1 2 420.598 3.960 50 0 HHAALO Cc1nn2c(nc3c(c2N2CCN(c4cccc[nH+]4)CC2)CCC3)c1-c1ccccc1 ZINC000101213085 559144020 /nfs/dbraw/zinc/14/40/20/559144020.db2.gz WOMKVIOQZQNQHN-UHFFFAOYSA-N 1 2 410.525 3.915 50 0 HHAALO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(c3cccc[nH+]3)C[C@H]12 ZINC000248034878 559275099 /nfs/dbraw/zinc/27/50/99/559275099.db2.gz QPWJIZCPRNXAPB-OZXSUGGESA-N 1 2 423.520 3.742 50 0 HHAALO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2cc(Br)ccc2o1 ZINC000046620184 560559813 /nfs/dbraw/zinc/55/98/13/560559813.db2.gz UEHPZQYVWRDOCZ-UHFFFAOYSA-N 1 2 400.276 3.989 50 0 HHAALO COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000005573639 560623287 /nfs/dbraw/zinc/62/32/87/560623287.db2.gz QPUORKWNEHWCNV-GYHWCHFESA-N 1 2 413.518 3.929 50 0 HHAALO O=S(=O)(c1ccc(SCc2cn3cc(Cl)ccc3[nH+]2)nc1)N1CCCCC1 ZINC000008719733 560637816 /nfs/dbraw/zinc/63/78/16/560637816.db2.gz PUZCPSZDUWKYND-UHFFFAOYSA-N 1 2 422.963 3.850 50 0 HHAALO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000019922563 560877057 /nfs/dbraw/zinc/87/70/57/560877057.db2.gz WTSOTBHOQMAVTQ-UHFFFAOYSA-N 1 2 405.292 3.542 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(COCc2ccco2)c1 ZINC000048237530 568433081 /nfs/dbraw/zinc/43/30/81/568433081.db2.gz YVRBOGOQDXEACT-UHFFFAOYSA-N 1 2 422.485 3.550 50 0 HHAALO O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048273756 568434005 /nfs/dbraw/zinc/43/40/05/568434005.db2.gz JFOXWLGOYGFBIC-UHFFFAOYSA-N 1 2 423.513 3.513 50 0 HHAALO O=C(CCN1C(=O)CSc2ccccc21)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048253048 568434435 /nfs/dbraw/zinc/43/44/35/568434435.db2.gz HOWNWUJEVLKDIO-UHFFFAOYSA-N 1 2 424.570 3.607 50 0 HHAALO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)n2)cc1 ZINC000049403471 568448312 /nfs/dbraw/zinc/44/83/12/568448312.db2.gz POJDJIRUXMGIQJ-UHFFFAOYSA-N 1 2 410.449 3.702 50 0 HHAALO O[C@@]1(C(F)(F)F)C=C(C2CC2)[NH2+]N1c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000006926673 568464071 /nfs/dbraw/zinc/46/40/71/568464071.db2.gz QAHPPRUPLFKTHO-CQSZACIVSA-N 1 2 406.286 3.982 50 0 HHAALO O=C1[C@H]2[C@H]3CSC[N@@H+]3[C@@H](C=Cc3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000221543780 568510026 /nfs/dbraw/zinc/51/00/26/568510026.db2.gz UNKLTRXXWKZTPX-CESCFTRESA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@H]2[C@H]3CSC[N@H+]3[C@@H](C=Cc3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000221543780 568510027 /nfs/dbraw/zinc/51/00/27/568510027.db2.gz UNKLTRXXWKZTPX-CESCFTRESA-N 1 2 410.926 3.916 50 0 HHAALO Cn1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000020484970 568612822 /nfs/dbraw/zinc/61/28/22/568612822.db2.gz YCOQCUBQBBFYHV-UHFFFAOYSA-N 1 2 404.539 3.651 50 0 HHAALO COc1cc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n(C)c2cc1OC ZINC000095475242 568629675 /nfs/dbraw/zinc/62/96/75/568629675.db2.gz VPXPGYCYZXOQTI-JXMROGBWSA-N 1 2 419.525 3.667 50 0 HHAALO CCn1c2ccccc2nc1[C@@H](C)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000095947023 568664692 /nfs/dbraw/zinc/66/46/92/568664692.db2.gz LPDWXVPKSKZSRR-SNVBAGLBSA-N 1 2 400.284 3.669 50 0 HHAALO CCC(CC)c1cc(C(=O)N2CCN(Cc3c(C)[nH+]c4cc(C)ccn43)CC2)on1 ZINC000095961179 568670182 /nfs/dbraw/zinc/67/01/82/568670182.db2.gz YZXVBKDASWZVKF-UHFFFAOYSA-N 1 2 409.534 3.801 50 0 HHAALO Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCCCCCc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000096231000 568707148 /nfs/dbraw/zinc/70/71/48/568707148.db2.gz WZDNNYWCCFZPQV-LJQANCHMSA-N 1 2 420.561 3.715 50 0 HHAALO Cn1cc([C@H](CCc2ccccc2)CC(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000096277792 568716170 /nfs/dbraw/zinc/71/61/70/568716170.db2.gz FVSCCLGEDVYERT-JOCHJYFZSA-N 1 2 419.569 3.733 50 0 HHAALO O=C(Cc1ccccc1)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCCCC3)c2C1 ZINC000096281858 568719091 /nfs/dbraw/zinc/71/90/91/568719091.db2.gz MKZJHLHXPRMNCI-UHFFFAOYSA-N 1 2 419.573 3.585 50 0 HHAALO CC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317347 568726482 /nfs/dbraw/zinc/72/64/82/568726482.db2.gz CYRIFWRQLKKYMH-UHFFFAOYSA-N 1 2 402.901 3.714 50 0 HHAALO CCNC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2cccc(C)c2)CC1 ZINC000096317506 568726824 /nfs/dbraw/zinc/72/68/24/568726824.db2.gz AQYVFZTYGKGALL-UHFFFAOYSA-N 1 2 409.578 3.734 50 0 HHAALO Cc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794474 568753438 /nfs/dbraw/zinc/75/34/38/568753438.db2.gz XOQCXQYQVHYKHE-UHFFFAOYSA-N 1 2 407.449 3.757 50 0 HHAALO CC1CCN(c2nc(N)c3c([nH+]2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)CC1 ZINC000670416176 568768248 /nfs/dbraw/zinc/76/82/48/568768248.db2.gz VQQCTDGYPRAAIT-CQSZACIVSA-N 1 2 405.424 3.788 50 0 HHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460519 568768366 /nfs/dbraw/zinc/76/83/66/568768366.db2.gz GKAZMXGMTVNCOJ-BEFAXECRSA-N 1 2 406.596 3.941 50 0 HHAALO CCOc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(CC)CC2)cc1 ZINC000022460159 568768566 /nfs/dbraw/zinc/76/85/66/568768566.db2.gz YAMIJFKDDSLKMU-DYESRHJHSA-N 1 2 401.576 3.644 50 0 HHAALO CCc1ccccc1NC(=O)C[NH+]1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000055530586 568778860 /nfs/dbraw/zinc/77/88/60/568778860.db2.gz SXQATCBQYRKRLO-UHFFFAOYSA-N 1 2 415.497 3.699 50 0 HHAALO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028065676 568779070 /nfs/dbraw/zinc/77/90/70/568779070.db2.gz NDUJPHPWDKLATB-CYBMUJFWSA-N 1 2 412.843 3.903 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000056896083 568820950 /nfs/dbraw/zinc/82/09/50/568820950.db2.gz CPKSMNLNWMREBL-HSZRJFAPSA-N 1 2 404.489 3.514 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056945547 568821585 /nfs/dbraw/zinc/82/15/85/568821585.db2.gz VSGADAPNUCKCOQ-OAQYLSRUSA-N 1 2 411.452 3.851 50 0 HHAALO CCc1nc2ccccc2c(NC(=O)C[NH+]2CCN(c3ccccc3OC)CC2)c1C ZINC000057297192 568826425 /nfs/dbraw/zinc/82/64/25/568826425.db2.gz AXANREGQYFBDDG-UHFFFAOYSA-N 1 2 418.541 3.875 50 0 HHAALO COc1cccc([C@H](NC(=O)NCCOc2ccc(C)cc2C)c2[nH+]ccn2C)c1 ZINC000029724172 568828672 /nfs/dbraw/zinc/82/86/72/568828672.db2.gz JNOYGOROHYIABA-NRFANRHFSA-N 1 2 408.502 3.513 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000057363722 568829144 /nfs/dbraw/zinc/82/91/44/568829144.db2.gz XZNYVAAKDJZHBE-IBGZPJMESA-N 1 2 403.320 3.909 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000057363722 568829146 /nfs/dbraw/zinc/82/91/46/568829146.db2.gz XZNYVAAKDJZHBE-IBGZPJMESA-N 1 2 403.320 3.909 50 0 HHAALO CSc1ccc(-c2noc(C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000057427620 568835705 /nfs/dbraw/zinc/83/57/05/568835705.db2.gz DDMASEVCRUHIAZ-UHFFFAOYSA-N 1 2 404.536 3.948 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1F ZINC000012507133 568839461 /nfs/dbraw/zinc/83/94/61/568839461.db2.gz UKYOABLCLYOWRG-GOSISDBHSA-N 1 2 418.266 3.606 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(Br)cc1F)c1ccccc1 ZINC000012520460 568841229 /nfs/dbraw/zinc/84/12/29/568841229.db2.gz YOLBVGGSQZPGLI-GOSISDBHSA-N 1 2 418.266 3.606 50 0 HHAALO COc1ccc2cc(C[N@H+](C)Cc3nc(N)nc(Nc4ccccc4)n3)ccc2c1 ZINC000012543882 568849303 /nfs/dbraw/zinc/84/93/03/568849303.db2.gz ZYFVVFWNHPHMJO-UHFFFAOYSA-N 1 2 400.486 3.991 50 0 HHAALO COc1ccc2cc(C[N@@H+](C)Cc3nc(N)nc(Nc4ccccc4)n3)ccc2c1 ZINC000012543882 568849305 /nfs/dbraw/zinc/84/93/05/568849305.db2.gz ZYFVVFWNHPHMJO-UHFFFAOYSA-N 1 2 400.486 3.991 50 0 HHAALO C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547686 568851072 /nfs/dbraw/zinc/85/10/72/568851072.db2.gz AWEIHQKKEZWTEE-XLIONFOSSA-N 1 2 420.488 3.741 50 0 HHAALO CN([C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000012547552 568851469 /nfs/dbraw/zinc/85/14/69/568851469.db2.gz IIXJJVTUQFBCOZ-KRWDZBQOSA-N 1 2 411.861 3.762 50 0 HHAALO C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012549763 568852294 /nfs/dbraw/zinc/85/22/94/568852294.db2.gz CVMWXAIDCNWPCO-ZDUSSCGKSA-N 1 2 406.305 3.674 50 0 HHAALO CN(C)c1cccc(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000030126152 568857944 /nfs/dbraw/zinc/85/79/44/568857944.db2.gz ODOIJYKSCGFUEW-UHFFFAOYSA-N 1 2 407.436 3.609 50 0 HHAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)CC1 ZINC000012689218 568908150 /nfs/dbraw/zinc/90/81/50/568908150.db2.gz JKPJZNUKEJPVMQ-UHFFFAOYSA-N 1 2 402.545 3.672 50 0 HHAALO Cc1cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1C1CC1 ZINC000012693209 568915589 /nfs/dbraw/zinc/91/55/89/568915589.db2.gz CNXOBDCKOFBQHD-UHFFFAOYSA-N 1 2 423.513 3.702 50 0 HHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCN(c3ccccc3F)CC1)S2 ZINC000004057580 568936720 /nfs/dbraw/zinc/93/67/20/568936720.db2.gz OHUUODRPCFTKFN-LJQANCHMSA-N 1 2 423.517 3.856 50 0 HHAALO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000084341311 568946898 /nfs/dbraw/zinc/94/68/98/568946898.db2.gz UUEWNTLZCPJUMF-UHFFFAOYSA-N 1 2 415.852 3.685 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)NCc1ccccc1 ZINC000015548699 568949114 /nfs/dbraw/zinc/94/91/14/568949114.db2.gz ANWDFLFFRJTRCI-FQEVSTJZSA-N 1 2 411.552 3.783 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)NCc1ccccc1 ZINC000015548699 568949115 /nfs/dbraw/zinc/94/91/15/568949115.db2.gz ANWDFLFFRJTRCI-FQEVSTJZSA-N 1 2 411.552 3.783 50 0 HHAALO Cc1ccn2cc(CCNS(=O)(=O)c3ccc(Oc4ccccc4)cc3)[nH+]c2c1 ZINC000004248500 568953692 /nfs/dbraw/zinc/95/36/92/568953692.db2.gz VJTIWKFXTOMRGR-UHFFFAOYSA-N 1 2 407.495 3.956 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cc(Cl)cc2c1OCOC2 ZINC000008092816 568973414 /nfs/dbraw/zinc/97/34/14/568973414.db2.gz LKZYUULVCXHJKP-UHFFFAOYSA-N 1 2 411.285 3.939 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cc(Cl)cc2c1OCOC2 ZINC000008092816 568973416 /nfs/dbraw/zinc/97/34/16/568973416.db2.gz LKZYUULVCXHJKP-UHFFFAOYSA-N 1 2 411.285 3.939 50 0 HHAALO COc1ccc(S(=O)(=O)n2c3ccc(C)cc3c3c2CCC[N@@H+](C)C3)cc1OC ZINC000085393389 568984871 /nfs/dbraw/zinc/98/48/71/568984871.db2.gz BRCGWUDXSGDOBK-UHFFFAOYSA-N 1 2 414.527 3.582 50 0 HHAALO COc1ccc(S(=O)(=O)n2c3ccc(C)cc3c3c2CCC[N@H+](C)C3)cc1OC ZINC000085393389 568984872 /nfs/dbraw/zinc/98/48/72/568984872.db2.gz BRCGWUDXSGDOBK-UHFFFAOYSA-N 1 2 414.527 3.582 50 0 HHAALO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310464 568988803 /nfs/dbraw/zinc/98/88/03/568988803.db2.gz SNNRIFZFVFXMAW-FQEVSTJZSA-N 1 2 424.497 3.719 50 0 HHAALO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310464 568988805 /nfs/dbraw/zinc/98/88/05/568988805.db2.gz SNNRIFZFVFXMAW-FQEVSTJZSA-N 1 2 424.497 3.719 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 ZINC000008324575 568991126 /nfs/dbraw/zinc/99/11/26/568991126.db2.gz KUNHTSOVQXIFDN-NRFANRHFSA-N 1 2 420.513 3.974 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C)nn2-c2ccccc2)c1 ZINC000008324575 568991129 /nfs/dbraw/zinc/99/11/29/568991129.db2.gz KUNHTSOVQXIFDN-NRFANRHFSA-N 1 2 420.513 3.974 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000015779209 569001795 /nfs/dbraw/zinc/00/17/95/569001795.db2.gz BQDIHYFLIZBRLO-UHFFFAOYSA-N 1 2 404.470 3.558 50 0 HHAALO COc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000015779209 569001797 /nfs/dbraw/zinc/00/17/97/569001797.db2.gz BQDIHYFLIZBRLO-UHFFFAOYSA-N 1 2 404.470 3.558 50 0 HHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012823987 569007582 /nfs/dbraw/zinc/00/75/82/569007582.db2.gz SLQLLQWJLSMAJC-INIZCTEOSA-N 1 2 406.486 3.847 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3nc4ccccc4s3)C[C@H]2CCO)c(F)c1 ZINC000104373187 569008542 /nfs/dbraw/zinc/00/85/42/569008542.db2.gz CDIVYHKVKBMCAA-QGZVFWFLSA-N 1 2 415.534 3.513 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3nc4ccccc4s3)C[C@H]2CCO)c(F)c1 ZINC000104373187 569008543 /nfs/dbraw/zinc/00/85/43/569008543.db2.gz CDIVYHKVKBMCAA-QGZVFWFLSA-N 1 2 415.534 3.513 50 0 HHAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=O)NC(C)(C)C)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000106595340 569009814 /nfs/dbraw/zinc/00/98/14/569009814.db2.gz XIOWACXLIDRGLI-NLWGTHIKSA-N 1 2 414.594 3.894 50 0 HHAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)NC(C)(C)C)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000106595334 569009833 /nfs/dbraw/zinc/00/98/33/569009833.db2.gz XIOWACXLIDRGLI-NSHGMRRFSA-N 1 2 414.594 3.894 50 0 HHAALO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl ZINC000012853183 569010620 /nfs/dbraw/zinc/01/06/20/569010620.db2.gz WBLXRRPVKDBLHS-UHFFFAOYSA-N 1 2 412.843 3.905 50 0 HHAALO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl ZINC000012853183 569010621 /nfs/dbraw/zinc/01/06/21/569010621.db2.gz WBLXRRPVKDBLHS-UHFFFAOYSA-N 1 2 412.843 3.905 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000012939796 569028309 /nfs/dbraw/zinc/02/83/09/569028309.db2.gz MRGNSJGIXOPXEM-OAHLLOKOSA-N 1 2 419.932 3.850 50 0 HHAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)NCc1ccco1)CC2 ZINC000035335096 569033109 /nfs/dbraw/zinc/03/31/09/569033109.db2.gz UHKLKIGVRNLOMV-DEOSSOPVSA-N 1 2 406.482 3.561 50 0 HHAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)NCc1ccco1)CC2 ZINC000035335096 569033110 /nfs/dbraw/zinc/03/31/10/569033110.db2.gz UHKLKIGVRNLOMV-DEOSSOPVSA-N 1 2 406.482 3.561 50 0 HHAALO CC[N@H+](CCCNC(=O)c1cc2c(c3ccccc3oc2=O)n1C)c1ccccc1 ZINC000035396872 569034722 /nfs/dbraw/zinc/03/47/22/569034722.db2.gz OAOAJPPPRVUALO-UHFFFAOYSA-N 1 2 403.482 3.931 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1cc2c(c3ccccc3oc2=O)n1C)c1ccccc1 ZINC000035396872 569034723 /nfs/dbraw/zinc/03/47/23/569034723.db2.gz OAOAJPPPRVUALO-UHFFFAOYSA-N 1 2 403.482 3.931 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4cccs4)CC3)cn2)cc1C ZINC000035403591 569035551 /nfs/dbraw/zinc/03/55/51/569035551.db2.gz YXHPCINXDKTEJU-UHFFFAOYSA-N 1 2 406.555 3.956 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4cccs4)CC3)cn2)cc1C ZINC000035403591 569035552 /nfs/dbraw/zinc/03/55/52/569035552.db2.gz YXHPCINXDKTEJU-UHFFFAOYSA-N 1 2 406.555 3.956 50 0 HHAALO O=C(C1c2ccccc2Oc2ccccc21)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609116 569042352 /nfs/dbraw/zinc/04/23/52/569042352.db2.gz VACNKWGWFBERHT-SFHVURJKSA-N 1 2 424.566 3.591 50 0 HHAALO CCOC(=O)c1ccc(N2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)nc1 ZINC000013013773 569050955 /nfs/dbraw/zinc/05/09/55/569050955.db2.gz JGYYYVNYTYOUMZ-UHFFFAOYSA-N 1 2 408.527 3.704 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000247871092 569057606 /nfs/dbraw/zinc/05/76/06/569057606.db2.gz LKISCTNMRXYASH-TUFLPTIASA-N 1 2 422.912 3.792 50 0 HHAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000247871092 569057607 /nfs/dbraw/zinc/05/76/07/569057607.db2.gz LKISCTNMRXYASH-TUFLPTIASA-N 1 2 422.912 3.792 50 0 HHAALO CC[C@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)c1cnn(C)c1 ZINC000426389622 569072693 /nfs/dbraw/zinc/07/26/93/569072693.db2.gz KTEJXVNQOFTRNT-IBGZPJMESA-N 1 2 413.547 3.526 50 0 HHAALO CC[C@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)c1cnn(C)c1 ZINC000426389622 569072694 /nfs/dbraw/zinc/07/26/94/569072694.db2.gz KTEJXVNQOFTRNT-IBGZPJMESA-N 1 2 413.547 3.526 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cccnc4)csc3C2)nc1 ZINC000426649723 569073716 /nfs/dbraw/zinc/07/37/16/569073716.db2.gz PWSOVFLBQXFLPZ-UHFFFAOYSA-N 1 2 406.555 3.931 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cccnc4)csc3C2)nc1 ZINC000426649723 569073717 /nfs/dbraw/zinc/07/37/17/569073717.db2.gz PWSOVFLBQXFLPZ-UHFFFAOYSA-N 1 2 406.555 3.931 50 0 HHAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccccc4F)CC3)cc(C)[nH+]2)cc1 ZINC000064799950 569097391 /nfs/dbraw/zinc/09/73/91/569097391.db2.gz MDENFLYCASWSMA-UHFFFAOYSA-N 1 2 405.477 3.939 50 0 HHAALO CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310547 569131752 /nfs/dbraw/zinc/13/17/52/569131752.db2.gz NXOQIHLHLGQYPQ-WIYYLYMNSA-N 1 2 400.567 3.557 50 0 HHAALO COc1cccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036311714 569133233 /nfs/dbraw/zinc/13/32/33/569133233.db2.gz FMJFRDCQLQZRPH-QFIPXVFZSA-N 1 2 415.578 3.773 50 0 HHAALO Fc1cccc(-c2noc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nc3)n2)c1 ZINC000065097911 569176645 /nfs/dbraw/zinc/17/66/45/569176645.db2.gz CSULICWLWSFSQK-UHFFFAOYSA-N 1 2 402.433 3.659 50 0 HHAALO C[N@H+](CC(=O)Nc1cccc2nsnc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000036436208 569182368 /nfs/dbraw/zinc/18/23/68/569182368.db2.gz LQPZRDYWHRRSER-QAPCUYQASA-N 1 2 423.325 3.527 50 0 HHAALO C[N@@H+](CC(=O)Nc1cccc2nsnc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000036436208 569182369 /nfs/dbraw/zinc/18/23/69/569182369.db2.gz LQPZRDYWHRRSER-QAPCUYQASA-N 1 2 423.325 3.527 50 0 HHAALO Cc1ccccc1N1CC[NH+](Cc2nc(-c3ccc(N4CCCCC4)nc3)no2)CC1 ZINC000065216009 569197630 /nfs/dbraw/zinc/19/76/30/569197630.db2.gz VVDQCRYINQSCCB-UHFFFAOYSA-N 1 2 418.545 3.753 50 0 HHAALO COc1ccc([C@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245338 569205169 /nfs/dbraw/zinc/20/51/69/569205169.db2.gz IIVZVCJVXLGPIA-ROUUACIJSA-N 1 2 423.561 3.934 50 0 HHAALO COc1ccc([C@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000065245338 569205170 /nfs/dbraw/zinc/20/51/70/569205170.db2.gz IIVZVCJVXLGPIA-ROUUACIJSA-N 1 2 423.561 3.934 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1 ZINC000065250084 569206088 /nfs/dbraw/zinc/20/60/88/569206088.db2.gz SMQATQPNWJNPES-IBGZPJMESA-N 1 2 412.440 3.858 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1 ZINC000065250084 569206089 /nfs/dbraw/zinc/20/60/89/569206089.db2.gz SMQATQPNWJNPES-IBGZPJMESA-N 1 2 412.440 3.858 50 0 HHAALO CCn1nccc1C(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065260015 569210848 /nfs/dbraw/zinc/21/08/48/569210848.db2.gz ZKGJRQGSDLRLFE-QHCPKHFHSA-N 1 2 406.534 3.566 50 0 HHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065260075 569210981 /nfs/dbraw/zinc/21/09/81/569210981.db2.gz NEIZGOYKFPVQLQ-DEOSSOPVSA-N 1 2 420.513 3.934 50 0 HHAALO O=C(CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1)NCc1cc(F)ccc1F ZINC000065274170 569214825 /nfs/dbraw/zinc/21/48/25/569214825.db2.gz RXYBUQRQPWOIJZ-UHFFFAOYSA-N 1 2 415.488 3.642 50 0 HHAALO O=C(CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1)NCc1cc(F)ccc1F ZINC000065274170 569214827 /nfs/dbraw/zinc/21/48/27/569214827.db2.gz RXYBUQRQPWOIJZ-UHFFFAOYSA-N 1 2 415.488 3.642 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3OC)CC2)nc[nH+]1 ZINC000065274222 569214840 /nfs/dbraw/zinc/21/48/40/569214840.db2.gz VYWHXOPOOPIQSG-UHFFFAOYSA-N 1 2 411.550 3.620 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3OC)CC2)[nH+]cn1 ZINC000065274222 569214842 /nfs/dbraw/zinc/21/48/42/569214842.db2.gz VYWHXOPOOPIQSG-UHFFFAOYSA-N 1 2 411.550 3.620 50 0 HHAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000065586277 569236373 /nfs/dbraw/zinc/23/63/73/569236373.db2.gz HTPLQZINVWNBKQ-HSZRJFAPSA-N 1 2 417.509 3.914 50 0 HHAALO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000065586277 569236374 /nfs/dbraw/zinc/23/63/74/569236374.db2.gz HTPLQZINVWNBKQ-HSZRJFAPSA-N 1 2 417.509 3.914 50 0 HHAALO COc1ccc(OC)c2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccco3)nc21 ZINC000007424778 569238018 /nfs/dbraw/zinc/23/80/18/569238018.db2.gz VWELZOKFAVXDQK-UHFFFAOYSA-N 1 2 412.471 3.840 50 0 HHAALO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620782 569238640 /nfs/dbraw/zinc/23/86/40/569238640.db2.gz QZTMUVVKRMBAAV-AUUYWEPGSA-N 1 2 402.441 3.675 50 0 HHAALO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2ccc(OC(F)F)cc2C1 ZINC000065620782 569238641 /nfs/dbraw/zinc/23/86/41/569238641.db2.gz QZTMUVVKRMBAAV-AUUYWEPGSA-N 1 2 402.441 3.675 50 0 HHAALO Cc1cc(C=C2CC[NH+](CC(=O)Nc3ccc4[nH]c(C(F)(F)F)nc4c3)CC2)no1 ZINC000089600997 569261149 /nfs/dbraw/zinc/26/11/49/569261149.db2.gz MEMCOFNMJPRCFK-UHFFFAOYSA-N 1 2 419.407 3.996 50 0 HHAALO C[C@H](c1nnc(S[C@@H](C)C(=O)N2CCCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000089913776 569268333 /nfs/dbraw/zinc/26/83/33/569268333.db2.gz MEXSFTKDJAMRHJ-CVEARBPZSA-N 1 2 419.570 3.912 50 0 HHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)[nH+]1 ZINC000017135873 569275354 /nfs/dbraw/zinc/27/53/54/569275354.db2.gz WGSPLDJSIASKQV-UHFFFAOYSA-N 1 2 403.486 3.926 50 0 HHAALO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3c(F)cccc3F)CC2)cc1OC ZINC000037560408 569306948 /nfs/dbraw/zinc/30/69/48/569306948.db2.gz XJBCNMAMPSZWMY-UHFFFAOYSA-N 1 2 404.457 4.000 50 0 HHAALO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055226540 569395041 /nfs/dbraw/zinc/39/50/41/569395041.db2.gz BUMLRLBDPOEDHE-HXUWFJFHSA-N 1 2 413.905 3.609 50 0 HHAALO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C ZINC000013060633 569408366 /nfs/dbraw/zinc/40/83/66/569408366.db2.gz VGZWERZDBQGGDP-KRWDZBQOSA-N 1 2 420.479 3.717 50 0 HHAALO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000328590619 569415071 /nfs/dbraw/zinc/41/50/71/569415071.db2.gz SYFYGCHUCKXEFA-FQEVSTJZSA-N 1 2 424.545 3.733 50 0 HHAALO CCO[C@H]1C[C@@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C12CCCCC2 ZINC000078879037 569421318 /nfs/dbraw/zinc/42/13/18/569421318.db2.gz VVJBKKMNLJUZHK-RTWAWAEBSA-N 1 2 424.545 3.770 50 0 HHAALO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccn3)cs1)c1ccccc1OC2 ZINC000008777793 571118090 /nfs/dbraw/zinc/11/80/90/571118090.db2.gz NYMHRIAICFXFAB-XIKOKIGWSA-N 1 2 418.400 3.689 50 0 HHAALO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccn3)cs1)c1ccccc1OC2 ZINC000008777792 571118148 /nfs/dbraw/zinc/11/81/48/571118148.db2.gz NYMHRIAICFXFAB-KZULUSFZSA-N 1 2 418.400 3.689 50 0 HHAALO COc1cc(CNC(=O)C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1OCc1ccccc1 ZINC000039990539 571136636 /nfs/dbraw/zinc/13/66/36/571136636.db2.gz CVPUZOGEKUUDCP-IBGZPJMESA-N 1 2 419.525 3.769 50 0 HHAALO COc1cc(CNC(=O)C[N@H+]2CCn3cccc3[C@@H]2C)ccc1OCc1ccccc1 ZINC000039990539 571136637 /nfs/dbraw/zinc/13/66/37/571136637.db2.gz CVPUZOGEKUUDCP-IBGZPJMESA-N 1 2 419.525 3.769 50 0 HHAALO COC(=O)c1oc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000040086037 571156473 /nfs/dbraw/zinc/15/64/73/571156473.db2.gz UFNGJDKYQWBBQV-UHFFFAOYSA-N 1 2 409.280 3.516 50 0 HHAALO COC(=O)c1oc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000040086037 571156474 /nfs/dbraw/zinc/15/64/74/571156474.db2.gz UFNGJDKYQWBBQV-UHFFFAOYSA-N 1 2 409.280 3.516 50 0 HHAALO CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000040103332 571163878 /nfs/dbraw/zinc/16/38/78/571163878.db2.gz SQQJUMLEHDFYAJ-UHFFFAOYSA-N 1 2 423.001 3.919 50 0 HHAALO CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000040103332 571163881 /nfs/dbraw/zinc/16/38/81/571163881.db2.gz SQQJUMLEHDFYAJ-UHFFFAOYSA-N 1 2 423.001 3.919 50 0 HHAALO Cn1cc(-c2nc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)cs2)cn1 ZINC000040146107 571195980 /nfs/dbraw/zinc/19/59/80/571195980.db2.gz JRPWXQUZNLEWNX-UHFFFAOYSA-N 1 2 405.512 3.965 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009112435 571223458 /nfs/dbraw/zinc/22/34/58/571223458.db2.gz VKEZKZOYHZRQRV-LBPRGKRZSA-N 1 2 421.291 3.645 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009112435 571223460 /nfs/dbraw/zinc/22/34/60/571223460.db2.gz VKEZKZOYHZRQRV-LBPRGKRZSA-N 1 2 421.291 3.645 50 0 HHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000009265119 571244015 /nfs/dbraw/zinc/24/40/15/571244015.db2.gz NUCXGCITPIGPEM-KRWDZBQOSA-N 1 2 421.497 3.617 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009318100 571247755 /nfs/dbraw/zinc/24/77/55/571247755.db2.gz ZWENXHJKUWVJNI-LUKWVAJMSA-N 1 2 424.456 3.674 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009318100 571247757 /nfs/dbraw/zinc/24/77/57/571247757.db2.gz ZWENXHJKUWVJNI-LUKWVAJMSA-N 1 2 424.456 3.674 50 0 HHAALO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378137 571253299 /nfs/dbraw/zinc/25/32/99/571253299.db2.gz CPZPZJCZKIVFBH-AZUAARDMSA-N 1 2 417.513 3.994 50 0 HHAALO O=C(Nc1nnc(SCc2cn3ccccc3[nH+]2)s1)c1cc(-c2ccco2)on1 ZINC000070635140 571270395 /nfs/dbraw/zinc/27/03/95/571270395.db2.gz RUTMKKWFSPROPK-UHFFFAOYSA-N 1 2 424.467 3.978 50 0 HHAALO Cn1ccnc1C[NH+]1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000012206894 962253613 /nfs/dbraw/zinc/25/36/13/962253613.db2.gz MDHCNOYJDFFBKH-UHFFFAOYSA-N 1 2 416.953 3.743 50 0 HHAALO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023718290 963880733 /nfs/dbraw/zinc/88/07/33/963880733.db2.gz BTOXUBIUNBFOGO-USYIVQIESA-N 1 2 403.570 3.900 50 0 HHAALO COc1cc(/C=C/C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc(OC)c1OC ZINC000033675661 966412093 /nfs/dbraw/zinc/41/20/93/966412093.db2.gz NQWZIDKIORFANC-UPXUIUAPSA-N 1 2 422.525 3.583 50 0 HHAALO CN(CC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)Cc1nc2ccccc2s1 ZINC000096905107 969054718 /nfs/dbraw/zinc/05/47/18/969054718.db2.gz VECMTWJGOUPOPU-YFHOEESVSA-N 1 2 420.582 3.586 50 0 HHAALO Cc1cc(/C=C\C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(C)n1C1CC1 ZINC000097998369 969183713 /nfs/dbraw/zinc/18/37/13/969183713.db2.gz IEVICWFTQIJKSJ-YWEYNIOJSA-N 1 2 405.542 3.732 50 0 HHAALO Cc1c[nH+]c(CO[C@@H]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)C2)n1C ZINC000257176775 970617937 /nfs/dbraw/zinc/61/79/37/970617937.db2.gz URLBUUUQCLPWSR-QGZVFWFLSA-N 1 2 413.909 3.593 50 0 HHAALO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccccc1OC)C2 ZINC000299793844 970723638 /nfs/dbraw/zinc/72/36/38/970723638.db2.gz KLAUQPQMTSBYEQ-DYESRHJHSA-N 1 2 410.514 3.650 50 0 HHAALO COc1ccc2c(c1)O[C@H](C)C[N@H+](CC(=O)N1CCC[C@@H]1c1ccccc1OC)C2 ZINC000299793844 970723642 /nfs/dbraw/zinc/72/36/42/970723642.db2.gz KLAUQPQMTSBYEQ-DYESRHJHSA-N 1 2 410.514 3.650 50 0 HHAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1OC ZINC000003649722 132267663 /nfs/dbraw/zinc/26/76/63/132267663.db2.gz VMBDDMUHNRFNQA-UHFFFAOYSA-N 1 2 407.470 3.649 50 0 HHAALO CCCC[N@H+](CCCNC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000004669320 132281859 /nfs/dbraw/zinc/28/18/59/132281859.db2.gz YQGSRJZIYXVLMW-UHFFFAOYSA-N 1 2 409.530 3.615 50 0 HHAALO CCCC[N@@H+](CCCNC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000004669320 132281860 /nfs/dbraw/zinc/28/18/60/132281860.db2.gz YQGSRJZIYXVLMW-UHFFFAOYSA-N 1 2 409.530 3.615 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000007588433 132325006 /nfs/dbraw/zinc/32/50/06/132325006.db2.gz NWSJIQYNDOWTDK-UHFFFAOYSA-N 1 2 419.319 3.551 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000008156501 132327918 /nfs/dbraw/zinc/32/79/18/132327918.db2.gz VGFKPIMFRCJBAZ-FQEVSTJZSA-N 1 2 406.555 3.782 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000008156501 132327921 /nfs/dbraw/zinc/32/79/21/132327921.db2.gz VGFKPIMFRCJBAZ-FQEVSTJZSA-N 1 2 406.555 3.782 50 0 HHAALO CCC(Nc1ccc([NH+](CC)CC)cc1)=C1C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000009111429 132335969 /nfs/dbraw/zinc/33/59/69/132335969.db2.gz PCZNVELNFKUBER-FMQUCBEESA-N 1 2 406.486 3.892 50 0 HHAALO CC(C)Cc1cc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)[nH]n1 ZINC000011819444 132351137 /nfs/dbraw/zinc/35/11/37/132351137.db2.gz LZGONAFUOVPISA-UHFFFAOYSA-N 1 2 416.573 3.876 50 0 HHAALO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000012516639 132361454 /nfs/dbraw/zinc/36/14/54/132361454.db2.gz RPTQGATXTSBEPH-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000012516639 132361455 /nfs/dbraw/zinc/36/14/55/132361455.db2.gz RPTQGATXTSBEPH-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2cccc(Br)c2)Oc2ccccc21 ZINC000012528153 132361911 /nfs/dbraw/zinc/36/19/11/132361911.db2.gz NHKVEQPQJJPTRW-QGZVFWFLSA-N 1 2 418.335 3.607 50 0 HHAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(Br)c2)Oc2ccccc21 ZINC000012528153 132361912 /nfs/dbraw/zinc/36/19/12/132361912.db2.gz NHKVEQPQJJPTRW-QGZVFWFLSA-N 1 2 418.335 3.607 50 0 HHAALO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000032865594 520080146 /nfs/dbraw/zinc/08/01/46/520080146.db2.gz QUWKRKUXZSDLKG-UHFFFAOYSA-N 1 2 422.514 3.969 50 0 HHAALO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000032865594 520080154 /nfs/dbraw/zinc/08/01/54/520080154.db2.gz QUWKRKUXZSDLKG-UHFFFAOYSA-N 1 2 422.514 3.969 50 0 HHAALO C[N@@H+]1CCc2c(sc3ncn4nc(-c5ccccc5Br)nc4c23)C1 ZINC000020566450 523996844 /nfs/dbraw/zinc/99/68/44/523996844.db2.gz QCMAAAGSDOOERT-UHFFFAOYSA-N 1 2 400.305 3.756 50 0 HHAALO C[N@H+]1CCc2c(sc3ncn4nc(-c5ccccc5Br)nc4c23)C1 ZINC000020566450 523996849 /nfs/dbraw/zinc/99/68/49/523996849.db2.gz QCMAAAGSDOOERT-UHFFFAOYSA-N 1 2 400.305 3.756 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)c1 ZINC000030685934 524827912 /nfs/dbraw/zinc/82/79/12/524827912.db2.gz KWPJDXSLCALJTA-UHFFFAOYSA-N 1 2 416.521 3.914 50 0 HHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000032953920 525085015 /nfs/dbraw/zinc/08/50/15/525085015.db2.gz NGPBURUAFRUJOH-UHFFFAOYSA-N 1 2 406.442 3.753 50 0 HHAALO Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1-c1ccccc1 ZINC000032970943 526380274 /nfs/dbraw/zinc/38/02/74/526380274.db2.gz YTLQCYYPZCYMBT-INIZCTEOSA-N 1 2 418.526 3.731 50 0 HHAALO O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023968287 526591554 /nfs/dbraw/zinc/59/15/54/526591554.db2.gz LAWUKEMYURXATF-UHFFFAOYSA-N 1 2 423.520 3.892 50 0 HHAALO CCCCNC(=O)C[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc32)CC1 ZINC000012765203 535282088 /nfs/dbraw/zinc/28/20/88/535282088.db2.gz CJCZLPFOVYMWET-UHFFFAOYSA-N 1 2 423.586 3.705 50 0 HHAALO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855599 557476947 /nfs/dbraw/zinc/47/69/47/557476947.db2.gz HDEIWTQUDNXEQS-IQMFZBJNSA-N 1 2 412.505 3.857 50 0 HHAALO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855599 557476950 /nfs/dbraw/zinc/47/69/50/557476950.db2.gz HDEIWTQUDNXEQS-IQMFZBJNSA-N 1 2 412.505 3.857 50 0 HHAALO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855598 557476983 /nfs/dbraw/zinc/47/69/83/557476983.db2.gz HDEIWTQUDNXEQS-NPMXOYFQSA-N 1 2 412.505 3.857 50 0 HHAALO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855598 557476984 /nfs/dbraw/zinc/47/69/84/557476984.db2.gz HDEIWTQUDNXEQS-NPMXOYFQSA-N 1 2 412.505 3.857 50 0 HHAALO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004908712 557612080 /nfs/dbraw/zinc/61/20/80/557612080.db2.gz FFHRJSWCUWEWPS-UHFFFAOYSA-N 1 2 411.521 3.783 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000008310825 557780817 /nfs/dbraw/zinc/78/08/17/557780817.db2.gz JWSPBCPJEANNIZ-UHFFFAOYSA-N 1 2 400.438 3.647 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCC(C)CC1)S2 ZINC000022853383 557840258 /nfs/dbraw/zinc/84/02/58/557840258.db2.gz VPKLSKKYGTWTSF-GOSISDBHSA-N 1 2 416.547 3.897 50 0 HHAALO Cc1ccc2[nH]c(SCC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4F)C3)nc2c1 ZINC000011664598 558268254 /nfs/dbraw/zinc/26/82/54/558268254.db2.gz YNMRAJXILJVQSV-KRWDZBQOSA-N 1 2 412.534 3.883 50 0 HHAALO Cc1ccc2[nH]c(SCC(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)nc2c1 ZINC000011664598 558268258 /nfs/dbraw/zinc/26/82/58/558268258.db2.gz YNMRAJXILJVQSV-KRWDZBQOSA-N 1 2 412.534 3.883 50 0 HHAALO Cc1ccc2nc(SCC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000011664598 558268260 /nfs/dbraw/zinc/26/82/60/558268260.db2.gz YNMRAJXILJVQSV-KRWDZBQOSA-N 1 2 412.534 3.883 50 0 HHAALO Cc1ccc2nc(SCC(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000011664598 558268264 /nfs/dbraw/zinc/26/82/64/558268264.db2.gz YNMRAJXILJVQSV-KRWDZBQOSA-N 1 2 412.534 3.883 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1F ZINC000022925577 558271832 /nfs/dbraw/zinc/27/18/32/558271832.db2.gz ATSBYHYVIDRQQA-OAHLLOKOSA-N 1 2 414.456 3.902 50 0 HHAALO COc1ccc(CN2CC[NH+]([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1F ZINC000022925577 558271835 /nfs/dbraw/zinc/27/18/35/558271835.db2.gz ATSBYHYVIDRQQA-OAHLLOKOSA-N 1 2 414.456 3.902 50 0 HHAALO OCC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 ZINC000019792503 558283325 /nfs/dbraw/zinc/28/33/25/558283325.db2.gz LSHMMYOHQJABAR-QFIPXVFZSA-N 1 2 407.583 3.921 50 0 HHAALO OCC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 ZINC000019792503 558283328 /nfs/dbraw/zinc/28/33/28/558283328.db2.gz LSHMMYOHQJABAR-QFIPXVFZSA-N 1 2 407.583 3.921 50 0 HHAALO COC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH+]1CCOCC1)c1ccccc1S2 ZINC000019792463 558283371 /nfs/dbraw/zinc/28/33/71/558283371.db2.gz GANIUVLKIDOWOC-UHFFFAOYSA-N 1 2 413.499 3.717 50 0 HHAALO Cc1ccc(C)c(OCn2ccc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000020028730 558323080 /nfs/dbraw/zinc/32/30/80/558323080.db2.gz AGMHCHNOIUIOKQ-UHFFFAOYSA-N 1 2 422.504 3.634 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000012203244 558351987 /nfs/dbraw/zinc/35/19/87/558351987.db2.gz HQUNWFAPXKPUQQ-OAQYLSRUSA-N 1 2 419.485 3.843 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020440384 558363480 /nfs/dbraw/zinc/36/34/80/558363480.db2.gz GIGPECARGLMMHZ-IYWMVGAKSA-N 1 2 410.832 3.584 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020440384 558363487 /nfs/dbraw/zinc/36/34/87/558363487.db2.gz GIGPECARGLMMHZ-IYWMVGAKSA-N 1 2 410.832 3.584 50 0 HHAALO COCCCn1c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cnc1S(=O)(=O)C1CCCC1 ZINC000012306279 558374917 /nfs/dbraw/zinc/37/49/17/558374917.db2.gz FHKWKRDHNOMAGZ-OALUTQOASA-N 1 2 423.623 3.648 50 0 HHAALO COCCCn1c(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cnc1S(=O)(=O)C1CCCC1 ZINC000012306279 558374920 /nfs/dbraw/zinc/37/49/20/558374920.db2.gz FHKWKRDHNOMAGZ-OALUTQOASA-N 1 2 423.623 3.648 50 0 HHAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000012387721 558396751 /nfs/dbraw/zinc/39/67/51/558396751.db2.gz IFRWFYZAUSFWAK-JOCHJYFZSA-N 1 2 407.470 3.952 50 0 HHAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000012387721 558396753 /nfs/dbraw/zinc/39/67/53/558396753.db2.gz IFRWFYZAUSFWAK-JOCHJYFZSA-N 1 2 407.470 3.952 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000020648589 558397382 /nfs/dbraw/zinc/39/73/82/558397382.db2.gz QRCJOEJTOCDGEJ-MEKIYTOJSA-N 1 2 419.431 3.736 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000020648589 558397383 /nfs/dbraw/zinc/39/73/83/558397383.db2.gz QRCJOEJTOCDGEJ-MEKIYTOJSA-N 1 2 419.431 3.736 50 0 HHAALO COc1cccc(C[N@@H+]2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)c1 ZINC000021038778 558430092 /nfs/dbraw/zinc/43/00/92/558430092.db2.gz VLVDZLFWYYEUGB-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1cccc(C[N@H+]2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)c1 ZINC000021038778 558430094 /nfs/dbraw/zinc/43/00/94/558430094.db2.gz VLVDZLFWYYEUGB-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO O=S(=O)(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000021473093 558439245 /nfs/dbraw/zinc/43/92/45/558439245.db2.gz MKFOVEPCLIEZKY-SFHVURJKSA-N 1 2 407.919 3.722 50 0 HHAALO O=S(=O)(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000021473093 558439248 /nfs/dbraw/zinc/43/92/48/558439248.db2.gz MKFOVEPCLIEZKY-SFHVURJKSA-N 1 2 407.919 3.722 50 0 HHAALO O=S(=O)(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000021473091 558439297 /nfs/dbraw/zinc/43/92/97/558439297.db2.gz MKFOVEPCLIEZKY-GOSISDBHSA-N 1 2 407.919 3.722 50 0 HHAALO O=S(=O)(CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000021473091 558439300 /nfs/dbraw/zinc/43/93/00/558439300.db2.gz MKFOVEPCLIEZKY-GOSISDBHSA-N 1 2 407.919 3.722 50 0 HHAALO CCCCNc1nnc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000012795560 558468437 /nfs/dbraw/zinc/46/84/37/558468437.db2.gz PUOCFVRDERICRZ-INIZCTEOSA-N 1 2 419.620 3.575 50 0 HHAALO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022358511 558483065 /nfs/dbraw/zinc/48/30/65/558483065.db2.gz MNMJQMRGJBUVEO-UHFFFAOYSA-N 1 2 421.541 3.834 50 0 HHAALO COc1ccc(C[N@H+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000023383668 558556197 /nfs/dbraw/zinc/55/61/97/558556197.db2.gz VRUDPEXHTHHMKS-UHFFFAOYSA-N 1 2 415.493 3.580 50 0 HHAALO COc1ccc(C[N@@H+](C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000023383668 558556199 /nfs/dbraw/zinc/55/61/99/558556199.db2.gz VRUDPEXHTHHMKS-UHFFFAOYSA-N 1 2 415.493 3.580 50 0 HHAALO O=C1c2ccccc2[C@@H](NCCC[NH+]2CCOCC2)N1[C@@H]1CCCc2ccccc21 ZINC000023504884 558560249 /nfs/dbraw/zinc/56/02/49/558560249.db2.gz ZCEQVZRJMTYIAP-RPWUZVMVSA-N 1 2 405.542 3.531 50 0 HHAALO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023856209 558578199 /nfs/dbraw/zinc/57/81/99/558578199.db2.gz VDZSLYXAJUXJEC-VWLOTQADSA-N 1 2 420.557 3.924 50 0 HHAALO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+](C)Cc2ccccc2N2CCCCC2)C1=O ZINC000023856209 558578201 /nfs/dbraw/zinc/57/82/01/558578201.db2.gz VDZSLYXAJUXJEC-VWLOTQADSA-N 1 2 420.557 3.924 50 0 HHAALO Cc1cc(CSc2ccccc2C(=O)N2CC[NH+](Cc3ccncc3)CC2)no1 ZINC000023867010 558578621 /nfs/dbraw/zinc/57/86/21/558578621.db2.gz ITOJHAWPYKIBKB-UHFFFAOYSA-N 1 2 408.527 3.628 50 0 HHAALO C[C@H](c1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500435 558612714 /nfs/dbraw/zinc/61/27/14/558612714.db2.gz MCZISEDWQXKYCV-OAHLLOKOSA-N 1 2 405.543 3.524 50 0 HHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1)OCO2 ZINC000025051112 558628877 /nfs/dbraw/zinc/62/88/77/558628877.db2.gz FQKZHIVXWYIJMP-UHFFFAOYSA-N 1 2 423.513 3.679 50 0 HHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1)OCO2 ZINC000025051112 558628882 /nfs/dbraw/zinc/62/88/82/558628882.db2.gz FQKZHIVXWYIJMP-UHFFFAOYSA-N 1 2 423.513 3.679 50 0 HHAALO O=C(c1ccc(-c2ccccc2F)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014184584 558629839 /nfs/dbraw/zinc/62/98/39/558629839.db2.gz AFIFGVQVEZRKAB-UHFFFAOYSA-N 1 2 408.429 3.772 50 0 HHAALO CCCCc1ccc(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000014198654 558634758 /nfs/dbraw/zinc/63/47/58/558634758.db2.gz MMCBRXQZVAVJSA-UHFFFAOYSA-N 1 2 407.558 3.791 50 0 HHAALO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025390302 558639746 /nfs/dbraw/zinc/63/97/46/558639746.db2.gz FSCVFQCSFJLGTL-LSDHHAIUSA-N 1 2 424.442 3.627 50 0 HHAALO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025777516 558649572 /nfs/dbraw/zinc/64/95/72/558649572.db2.gz RKAPGOLINKRVGI-UHFFFAOYSA-N 1 2 423.538 3.692 50 0 HHAALO COc1ccc([C@H](NC(=O)c2cc3cc(OC)ccc3nc2C)c2[nH+]ccn2C)cc1 ZINC000025823555 558650978 /nfs/dbraw/zinc/65/09/78/558650978.db2.gz YVFMTBPUJGHHSU-QFIPXVFZSA-N 1 2 416.481 3.813 50 0 HHAALO O=C(COc1ccc(Br)cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000014524732 558655594 /nfs/dbraw/zinc/65/55/94/558655594.db2.gz JHMGEXJGRNHUJS-UHFFFAOYSA-N 1 2 410.337 3.909 50 0 HHAALO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000026383470 558659868 /nfs/dbraw/zinc/65/98/68/558659868.db2.gz FBDHPGTVRJTNBE-ZDUSSCGKSA-N 1 2 409.317 3.785 50 0 HHAALO CC(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCOCC2)cc1 ZINC000028291402 558697572 /nfs/dbraw/zinc/69/75/72/558697572.db2.gz DRYGTLQLRZKEHM-QFIPXVFZSA-N 1 2 420.509 3.720 50 0 HHAALO CCOC(=O)C1CC[NH+](CC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)CC1 ZINC000015025044 558703488 /nfs/dbraw/zinc/70/34/88/558703488.db2.gz QJQUVHMAQXNELA-UHFFFAOYSA-N 1 2 400.494 3.750 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)CC(C)C)C3)n2)c(OC)c1OC ZINC000015066229 558709218 /nfs/dbraw/zinc/70/92/18/558709218.db2.gz BFXUYORKMKJSSR-OAHLLOKOSA-N 1 2 417.506 3.590 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)CC(C)C)C3)n2)c(OC)c1OC ZINC000015066229 558709223 /nfs/dbraw/zinc/70/92/23/558709223.db2.gz BFXUYORKMKJSSR-OAHLLOKOSA-N 1 2 417.506 3.590 50 0 HHAALO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000029089941 558709793 /nfs/dbraw/zinc/70/97/93/558709793.db2.gz DIVKEWFBKXUDAH-QHCPKHFHSA-N 1 2 407.514 3.550 50 0 HHAALO Cc1c([C@@H](C)NC(=O)C[N@@H+]2CCOc3ccccc3C2)cnn1-c1ccccc1C ZINC000015069874 558712133 /nfs/dbraw/zinc/71/21/33/558712133.db2.gz MVDOFUPISYQPBM-GOSISDBHSA-N 1 2 404.514 3.561 50 0 HHAALO Cc1c([C@@H](C)NC(=O)C[N@H+]2CCOc3ccccc3C2)cnn1-c1ccccc1C ZINC000015069874 558712134 /nfs/dbraw/zinc/71/21/34/558712134.db2.gz MVDOFUPISYQPBM-GOSISDBHSA-N 1 2 404.514 3.561 50 0 HHAALO Cc1ccc(C)c(S(=O)(=O)C2(c3nc([C@H](C)n4cc[nH+]c4)no3)CCCC2)c1 ZINC000072290525 558723472 /nfs/dbraw/zinc/72/34/72/558723472.db2.gz APYGLAMQWDJNGQ-INIZCTEOSA-N 1 2 400.504 3.735 50 0 HHAALO COc1ccccc1Nc1ncc2c(n1)CC[N@@H+](Cc1ccc(OC)c(OC)c1)C2 ZINC000015778851 558753101 /nfs/dbraw/zinc/75/31/01/558753101.db2.gz RAXPUYZUSUFPMM-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1ccccc1Nc1ncc2c(n1)CC[N@H+](Cc1ccc(OC)c(OC)c1)C2 ZINC000015778851 558753103 /nfs/dbraw/zinc/75/31/03/558753103.db2.gz RAXPUYZUSUFPMM-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO O=C1[C@@H]2[C@@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000036033428 558796712 /nfs/dbraw/zinc/79/67/12/558796712.db2.gz UNKLTRXXWKZTPX-BTTOUZFBSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@@H]2[C@@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000036033428 558796714 /nfs/dbraw/zinc/79/67/14/558796714.db2.gz UNKLTRXXWKZTPX-BTTOUZFBSA-N 1 2 410.926 3.916 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000052537541 558859905 /nfs/dbraw/zinc/85/99/05/558859905.db2.gz OIBOJOIHFYMGRL-UHFFFAOYSA-N 1 2 413.827 3.999 50 0 HHAALO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(c4[nH]c5ccccc5[nH+]4)C3)CC2)c1 ZINC000033071643 558866598 /nfs/dbraw/zinc/86/65/98/558866598.db2.gz AYAYCAAVLKNMHB-HXUWFJFHSA-N 1 2 417.557 3.745 50 0 HHAALO Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CC[NH+](C)CC2)CC[C@@H](C)C3)cc1 ZINC000055195843 558875570 /nfs/dbraw/zinc/87/55/70/558875570.db2.gz SOKJWCIEGGIQFV-MRXNPFEDSA-N 1 2 411.571 3.821 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(Cl)cc1 ZINC000033161230 558896054 /nfs/dbraw/zinc/89/60/54/558896054.db2.gz VBRVSCWWAIEPJE-RBUKOAKNSA-N 1 2 412.852 3.611 50 0 HHAALO COc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000058137752 558901187 /nfs/dbraw/zinc/90/11/87/558901187.db2.gz GQWNOZWZTCUMSQ-HNNXBMFYSA-N 1 2 407.436 3.863 50 0 HHAALO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000004694364 558904160 /nfs/dbraw/zinc/90/41/60/558904160.db2.gz MZFZEXXNRWTPTD-UHFFFAOYSA-N 1 2 400.906 3.875 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178107 558909859 /nfs/dbraw/zinc/90/98/59/558909859.db2.gz QPFXJIUNTDIXLG-ICSRJNTNSA-N 1 2 403.320 3.976 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1)Nc1ccccc1Br ZINC000058178107 558909862 /nfs/dbraw/zinc/90/98/62/558909862.db2.gz QPFXJIUNTDIXLG-ICSRJNTNSA-N 1 2 403.320 3.976 50 0 HHAALO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000072115456 558926483 /nfs/dbraw/zinc/92/64/83/558926483.db2.gz RVRLGOQNSDNYEY-UHFFFAOYSA-N 1 2 402.502 3.584 50 0 HHAALO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000072115456 558926485 /nfs/dbraw/zinc/92/64/85/558926485.db2.gz RVRLGOQNSDNYEY-UHFFFAOYSA-N 1 2 402.502 3.584 50 0 HHAALO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019597023 558946391 /nfs/dbraw/zinc/94/63/91/558946391.db2.gz HLLMXIJMLFCWSB-UHFFFAOYSA-N 1 2 422.550 3.791 50 0 HHAALO Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000019684170 558957072 /nfs/dbraw/zinc/95/70/72/558957072.db2.gz RNTFHDGOMBZXDP-AWEZNQCLSA-N 1 2 420.332 3.983 50 0 HHAALO COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2C[N@@H+]2CCNC(=O)C2)c1 ZINC000072424191 558978645 /nfs/dbraw/zinc/97/86/45/558978645.db2.gz MAUGJFZSHCIOJZ-UHFFFAOYSA-N 1 2 411.889 3.504 50 0 HHAALO COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2C[N@H+]2CCNC(=O)C2)c1 ZINC000072424191 558978646 /nfs/dbraw/zinc/97/86/46/558978646.db2.gz MAUGJFZSHCIOJZ-UHFFFAOYSA-N 1 2 411.889 3.504 50 0 HHAALO O=C1C([C@H](c2ccc(F)cc2)N2CC[NH+](Cc3ccccc3)CC2)Sc2ncnn21 ZINC000022031291 558985328 /nfs/dbraw/zinc/98/53/28/558985328.db2.gz PRONCPIUCMQTJC-IBGZPJMESA-N 1 2 423.517 3.543 50 0 HHAALO C[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000011231944 558987203 /nfs/dbraw/zinc/98/72/03/558987203.db2.gz CBGDTWAYRSQVLS-UHFFFAOYSA-N 1 2 416.326 3.670 50 0 HHAALO C[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000011231944 558987205 /nfs/dbraw/zinc/98/72/05/558987205.db2.gz CBGDTWAYRSQVLS-UHFFFAOYSA-N 1 2 416.326 3.670 50 0 HHAALO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756102 558992496 /nfs/dbraw/zinc/99/24/96/558992496.db2.gz JEIRJLQGXXGTOX-QGZVFWFLSA-N 1 2 400.526 3.615 50 0 HHAALO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756102 558992497 /nfs/dbraw/zinc/99/24/97/558992497.db2.gz JEIRJLQGXXGTOX-QGZVFWFLSA-N 1 2 400.526 3.615 50 0 HHAALO C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756102 558992498 /nfs/dbraw/zinc/99/24/98/558992498.db2.gz JEIRJLQGXXGTOX-QGZVFWFLSA-N 1 2 400.526 3.615 50 0 HHAALO C[C@H](C(=O)NC1CC1)[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756102 558992500 /nfs/dbraw/zinc/99/25/00/558992500.db2.gz JEIRJLQGXXGTOX-QGZVFWFLSA-N 1 2 400.526 3.615 50 0 HHAALO COc1cc2ncc(C[NH+]3CCN(c4ccc(C(C)=O)cc4F)CC3)cc2c(OC)c1 ZINC000097159058 558997594 /nfs/dbraw/zinc/99/75/94/558997594.db2.gz VTCUBMSIQXWMII-UHFFFAOYSA-N 1 2 423.488 3.916 50 0 HHAALO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(C(F)(F)F)c3)[nH+]cn2)n1 ZINC000023144648 559021099 /nfs/dbraw/zinc/02/10/99/559021099.db2.gz PYHUYFSEWZNHLK-UHFFFAOYSA-N 1 2 419.411 3.532 50 0 HHAALO CCOC(=O)C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000033280229 559043472 /nfs/dbraw/zinc/04/34/72/559043472.db2.gz ZWLKJZOFDLQPRT-FQEVSTJZSA-N 1 2 410.518 3.566 50 0 HHAALO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023248938 559068374 /nfs/dbraw/zinc/06/83/74/559068374.db2.gz ZJHRSEKALHUVOW-YKSBVNFPSA-N 1 2 403.526 3.889 50 0 HHAALO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](C=Cc1ccccc1)[N@H+]1CSC[C@H]21 ZINC000109496865 559171540 /nfs/dbraw/zinc/17/15/40/559171540.db2.gz UNKLTRXXWKZTPX-UZDYOHJUSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](C=Cc1ccccc1)[N@@H+]1CSC[C@H]21 ZINC000109496865 559171541 /nfs/dbraw/zinc/17/15/41/559171541.db2.gz UNKLTRXXWKZTPX-UZDYOHJUSA-N 1 2 410.926 3.916 50 0 HHAALO O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023956535 559186356 /nfs/dbraw/zinc/18/63/56/559186356.db2.gz WKBPKRXPRDNQMD-UHFFFAOYSA-N 1 2 406.935 3.513 50 0 HHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)[nH+]1 ZINC000024023368 559187966 /nfs/dbraw/zinc/18/79/66/559187966.db2.gz MUEDDDXBAQHAGB-UHFFFAOYSA-N 1 2 407.449 3.757 50 0 HHAALO CCc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=S)cc1 ZINC000100752451 559263369 /nfs/dbraw/zinc/26/33/69/559263369.db2.gz KKACRSMSNMAPQG-FQEVSTJZSA-N 1 2 418.522 3.879 50 0 biogenic HHAALO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(c3cccc[nH+]3)C[C@H]12 ZINC000248034874 559275079 /nfs/dbraw/zinc/27/50/79/559275079.db2.gz QPWJIZCPRNXAPB-JYFHCDHNSA-N 1 2 423.520 3.742 50 0 HHAALO C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)n(-c3nc4ccccc4s3)n2)CC1 ZINC000025186176 560891383 /nfs/dbraw/zinc/89/13/83/560891383.db2.gz WHXBHOPQIQODSN-UHFFFAOYSA-N 1 2 403.511 3.537 50 0 HHAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000046019764 568423855 /nfs/dbraw/zinc/42/38/55/568423855.db2.gz MROIQVGROPPBLV-NRFANRHFSA-N 1 2 418.497 3.749 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1OC[C@H]1CCCO1 ZINC000048249408 568433381 /nfs/dbraw/zinc/43/33/81/568433381.db2.gz PGJHFYFRNJYGCS-HXUWFJFHSA-N 1 2 409.530 3.950 50 0 HHAALO O=C(C1c2ccccc2Oc2ccccc21)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031361 568445896 /nfs/dbraw/zinc/44/58/96/568445896.db2.gz GCYFUWJBUSIVPZ-LJQANCHMSA-N 1 2 420.534 3.864 50 0 HHAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000049403409 568448354 /nfs/dbraw/zinc/44/83/54/568448354.db2.gz RQBXZZHWUJWNIV-UHFFFAOYSA-N 1 2 422.460 3.896 50 0 HHAALO CCN(CC)c1ccc(-c2noc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)n2)cn1 ZINC000049409718 568449676 /nfs/dbraw/zinc/44/96/76/568449676.db2.gz PUWHEQHOADPOHW-UHFFFAOYSA-N 1 2 420.561 3.917 50 0 HHAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)cc1 ZINC000049411232 568450023 /nfs/dbraw/zinc/45/00/23/568450023.db2.gz NITKLGLDBLAIDI-UHFFFAOYSA-N 1 2 406.490 3.550 50 0 HHAALO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000012324509 568471754 /nfs/dbraw/zinc/47/17/54/568471754.db2.gz ABWSJCWGYKMLGQ-JTQLQIEISA-N 1 2 421.288 3.680 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000790161 568478875 /nfs/dbraw/zinc/47/88/75/568478875.db2.gz XBDXMWZNRGFFLU-UHFFFAOYSA-N 1 2 419.466 3.583 50 0 HHAALO FC(F)(F)c1ccc(-c2nc(C[NH+]3CCN(c4ncccn4)CC3)cs2)cc1 ZINC000022515012 568487337 /nfs/dbraw/zinc/48/73/37/568487337.db2.gz GYKRJETVXXVUEB-UHFFFAOYSA-N 1 2 405.449 3.941 50 0 HHAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccccc2C)CC1 ZINC000020107606 568588104 /nfs/dbraw/zinc/58/81/04/568588104.db2.gz RYKNQNDAGYESOJ-UHFFFAOYSA-N 1 2 400.592 3.815 50 0 HHAALO CCc1ccccc1Nc1cc(C(=O)NCC[NH+]2CCOCC2)c2ccccc2n1 ZINC000020212274 568594392 /nfs/dbraw/zinc/59/43/92/568594392.db2.gz GQBQDWGKGYQQMW-UHFFFAOYSA-N 1 2 404.514 3.603 50 0 HHAALO C[C@@H](NC(=O)c1ccncc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288952 568597878 /nfs/dbraw/zinc/59/78/78/568597878.db2.gz QVEZYQBOPLHRBW-VGOFRKELSA-N 1 2 424.545 3.964 50 0 HHAALO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000095446731 568612118 /nfs/dbraw/zinc/61/21/18/568612118.db2.gz HLVKYSISEYLEGA-SFHVURJKSA-N 1 2 405.546 3.831 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000020902054 568650079 /nfs/dbraw/zinc/65/00/79/568650079.db2.gz QJDXDPOLDYTTEV-JOCHJYFZSA-N 1 2 417.509 3.628 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000020902054 568650080 /nfs/dbraw/zinc/65/00/80/568650080.db2.gz QJDXDPOLDYTTEV-JOCHJYFZSA-N 1 2 417.509 3.628 50 0 HHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 ZINC000020942423 568652989 /nfs/dbraw/zinc/65/29/89/568652989.db2.gz CKCZOUYYMXLBDN-MDZDMXLPSA-N 1 2 409.511 3.924 50 0 HHAALO CCOc1cc(CNc2ccc(N3CCOCC3)[nH+]c2)ccc1OCC(F)(F)F ZINC000095972273 568671863 /nfs/dbraw/zinc/67/18/63/568671863.db2.gz BLVJPTXEFZMXKU-UHFFFAOYSA-N 1 2 411.424 3.870 50 0 HHAALO COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159655 568674542 /nfs/dbraw/zinc/67/45/42/568674542.db2.gz ODRJUQNEVFXSJN-UHFFFAOYSA-N 1 2 420.557 3.680 50 0 HHAALO COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000021583424 568719891 /nfs/dbraw/zinc/71/98/91/568719891.db2.gz ODQRYUOFMHOGPH-IBGZPJMESA-N 1 2 409.935 3.968 50 0 HHAALO COc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000021583424 568719894 /nfs/dbraw/zinc/71/98/94/568719894.db2.gz ODQRYUOFMHOGPH-IBGZPJMESA-N 1 2 409.935 3.968 50 0 HHAALO Cc1[nH+]c(CC(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccccc1F ZINC000096316992 568726280 /nfs/dbraw/zinc/72/62/80/568726280.db2.gz NUMQDOCRXYELJB-UHFFFAOYSA-N 1 2 413.541 3.517 50 0 HHAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc(F)cc1 ZINC000096317029 568726390 /nfs/dbraw/zinc/72/63/90/568726390.db2.gz KBMCRQDDFRSIKM-UHFFFAOYSA-N 1 2 413.541 3.696 50 0 HHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000585149215 568742936 /nfs/dbraw/zinc/74/29/36/568742936.db2.gz HNFRYIFRIQZGPO-OAHLLOKOSA-N 1 2 409.433 3.999 50 0 HHAALO Cc1cc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000015032411 568747030 /nfs/dbraw/zinc/74/70/30/568747030.db2.gz XKROXTUDTDQTHR-UHFFFAOYSA-N 1 2 421.467 3.688 50 0 HHAALO COCc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)o1 ZINC000015064536 568748802 /nfs/dbraw/zinc/74/88/02/568748802.db2.gz PCFDQPVKPQNEJW-UHFFFAOYSA-N 1 2 404.514 3.694 50 0 HHAALO COc1cccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)[nH+]3)CC2)c1 ZINC000021793923 568753138 /nfs/dbraw/zinc/75/31/38/568753138.db2.gz YCBATKHZVIIBOO-UHFFFAOYSA-N 1 2 417.513 3.808 50 0 HHAALO O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021935371 568762071 /nfs/dbraw/zinc/76/20/71/568762071.db2.gz XAACBWGFVSHRTJ-UHFFFAOYSA-N 1 2 420.553 3.677 50 0 HHAALO COc1cccc(N2CC[NH+](CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)c1 ZINC000057281357 568825965 /nfs/dbraw/zinc/82/59/65/568825965.db2.gz LJYJABURQYDKQU-SFHVURJKSA-N 1 2 411.571 3.735 50 0 HHAALO CCCCn1c(C)c(C)nc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012520161 568840987 /nfs/dbraw/zinc/84/09/87/568840987.db2.gz SCTFEPLRXKETJW-UHFFFAOYSA-N 1 2 416.591 3.863 50 0 HHAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@H](c2ccc(F)cc2)C[N@@H+]1C ZINC000230097850 568841393 /nfs/dbraw/zinc/84/13/93/568841393.db2.gz FNXTVAHVEYQKHE-CODAWKSHSA-N 1 2 420.440 3.803 50 0 HHAALO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccco2)[C@H](c2ccc(F)cc2)C[N@H+]1C ZINC000230097850 568841394 /nfs/dbraw/zinc/84/13/94/568841394.db2.gz FNXTVAHVEYQKHE-CODAWKSHSA-N 1 2 420.440 3.803 50 0 HHAALO O=C(CCCSc1nc2ccccc2s1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000012543769 568849169 /nfs/dbraw/zinc/84/91/69/568849169.db2.gz FGTIJJRUYYNYED-UHFFFAOYSA-N 1 2 412.584 3.908 50 0 HHAALO C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547684 568850962 /nfs/dbraw/zinc/85/09/62/568850962.db2.gz AWEIHQKKEZWTEE-YLJYHZDGSA-N 1 2 420.488 3.741 50 0 HHAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3oc4c(cccc4F)c3C)CC2)cc1 ZINC000030018981 568856061 /nfs/dbraw/zinc/85/60/61/568856061.db2.gz AASGMWTZKCIASK-UHFFFAOYSA-N 1 2 412.461 3.726 50 0 HHAALO CN(C)P(=NC(=S)N1CC[NH+](C)CC1)(N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000057638318 568856730 /nfs/dbraw/zinc/85/67/30/568856730.db2.gz BSVYHONXHKSPQH-UHFFFAOYSA-N 1 2 411.600 3.642 50 0 HHAALO CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000012602193 568870228 /nfs/dbraw/zinc/87/02/28/568870228.db2.gz SMDWFTYASOYZEE-QFIPXVFZSA-N 1 2 420.557 3.745 50 0 HHAALO O=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1CCC[NH+]1CCOCC1 ZINC000012608926 568871472 /nfs/dbraw/zinc/87/14/72/568871472.db2.gz DMIXBUNVFUBOBE-HXUWFJFHSA-N 1 2 419.447 3.994 50 0 HHAALO Fc1ccccc1N1CC[NH+](Cc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000058024112 568878134 /nfs/dbraw/zinc/87/81/34/568878134.db2.gz PTSSDVMKENVGKT-UHFFFAOYSA-N 1 2 417.282 3.960 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000058136010 568890316 /nfs/dbraw/zinc/89/03/16/568890316.db2.gz ZBHMCGIHXLCSGL-QHCPKHFHSA-N 1 2 404.489 3.514 50 0 HHAALO COc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)ccc1OCc1ccccc1 ZINC000012666248 568907229 /nfs/dbraw/zinc/90/72/29/568907229.db2.gz KDZLDKSVZMKEAX-UHFFFAOYSA-N 1 2 401.466 3.894 50 0 HHAALO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000248382520 568917997 /nfs/dbraw/zinc/91/79/97/568917997.db2.gz XDURGZZLWDJFDV-ACJLOTCBSA-N 1 2 424.328 3.544 50 0 HHAALO C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000248382520 568918000 /nfs/dbraw/zinc/91/80/00/568918000.db2.gz XDURGZZLWDJFDV-ACJLOTCBSA-N 1 2 424.328 3.544 50 0 HHAALO Fc1ccccc1C[N@@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779691 569001947 /nfs/dbraw/zinc/00/19/47/569001947.db2.gz HPHRCEOWFWPWQK-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO Fc1ccccc1C[N@H+]1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1 ZINC000015779691 569001949 /nfs/dbraw/zinc/00/19/49/569001949.db2.gz HPHRCEOWFWPWQK-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2C1 ZINC000012848581 569010277 /nfs/dbraw/zinc/01/02/77/569010277.db2.gz KHNBFQXTGFITPY-MRXNPFEDSA-N 1 2 417.509 3.875 50 0 HHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2C1 ZINC000012848581 569010278 /nfs/dbraw/zinc/01/02/78/569010278.db2.gz KHNBFQXTGFITPY-MRXNPFEDSA-N 1 2 417.509 3.875 50 0 HHAALO O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000012999285 569048948 /nfs/dbraw/zinc/04/89/48/569048948.db2.gz VKBNZYUJYGPNIU-GOSISDBHSA-N 1 2 411.527 3.525 50 0 HHAALO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000000869992 569060285 /nfs/dbraw/zinc/06/02/85/569060285.db2.gz IJPQGRUSJZIPCB-SFHVURJKSA-N 1 2 414.502 3.714 50 0 biogenic HHAALO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000000869992 569060286 /nfs/dbraw/zinc/06/02/86/569060286.db2.gz IJPQGRUSJZIPCB-SFHVURJKSA-N 1 2 414.502 3.714 50 0 biogenic HHAALO CC[C@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1cccs1)CC2 ZINC000036026450 569079539 /nfs/dbraw/zinc/07/95/39/569079539.db2.gz GPSBVTIEDVMNMT-PKOBYXMFSA-N 1 2 411.571 3.522 50 0 HHAALO CC[C@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1cccs1)CC2 ZINC000036026448 569079593 /nfs/dbraw/zinc/07/95/93/569079593.db2.gz GPSBVTIEDVMNMT-HKUYNNGSSA-N 1 2 411.571 3.522 50 0 HHAALO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(Nc4ccc(C)cc4)n3)CC2)cc1 ZINC000064799937 569097479 /nfs/dbraw/zinc/09/74/79/569097479.db2.gz UXMABFCAUJOCHY-UHFFFAOYSA-N 1 2 417.513 3.808 50 0 HHAALO CC(C)C(=O)N1CC[NH+]([C@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252362 569119703 /nfs/dbraw/zinc/11/97/03/569119703.db2.gz WUCQXTAMKZUSRY-PKTZIBPZSA-N 1 2 411.590 3.539 50 0 HHAALO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N(C)Cc3ccco3)C3CCCC3)CC2)cc1 ZINC000036250835 569119850 /nfs/dbraw/zinc/11/98/50/569119850.db2.gz WPNFBCGNFKTLEB-QHCPKHFHSA-N 1 2 423.557 3.563 50 0 HHAALO Cc1cccc(CNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000036255252 569120318 /nfs/dbraw/zinc/12/03/18/569120318.db2.gz GNZZDONYSXIFPN-XMMPIXPASA-N 1 2 419.569 3.628 50 0 HHAALO CCNC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2Cl)CC1 ZINC000006801417 569129136 /nfs/dbraw/zinc/12/91/36/569129136.db2.gz WOVSDHNULDNKGY-UHFFFAOYSA-N 1 2 422.360 3.843 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c1 ZINC000006820183 569139313 /nfs/dbraw/zinc/13/93/13/569139313.db2.gz MDPPXNAUOVVRDF-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c1 ZINC000006820183 569139314 /nfs/dbraw/zinc/13/93/14/569139314.db2.gz MDPPXNAUOVVRDF-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000036447669 569184069 /nfs/dbraw/zinc/18/40/69/569184069.db2.gz JCGFTPGFDDZRCS-VWLOTQADSA-N 1 2 415.537 3.614 50 0 HHAALO O=C(c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1)N1CC=C(c2ccccc2)CC1 ZINC000065239796 569203479 /nfs/dbraw/zinc/20/34/79/569203479.db2.gz IBGDEQVNQKRSJQ-UHFFFAOYSA-N 1 2 414.513 3.582 50 0 HHAALO CCN(CC)c1cc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)cc[nH+]1 ZINC000065269950 569213882 /nfs/dbraw/zinc/21/38/82/569213882.db2.gz LDWBUPFYODDNFU-UHFFFAOYSA-N 1 2 400.954 3.863 50 0 HHAALO O=C(C[C@@H](c1ccsc1)n1cccc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000524735578 569214208 /nfs/dbraw/zinc/21/42/08/569214208.db2.gz LIMGMGXONASTDK-QFIPXVFZSA-N 1 2 409.555 3.752 50 0 HHAALO CC[N@H+](CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)c1ccccc1 ZINC000065329645 569224875 /nfs/dbraw/zinc/22/48/75/569224875.db2.gz ZCLOZGYTCMQMEW-UHFFFAOYSA-N 1 2 410.518 3.600 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)c1ccccc1 ZINC000065329645 569224877 /nfs/dbraw/zinc/22/48/77/569224877.db2.gz ZCLOZGYTCMQMEW-UHFFFAOYSA-N 1 2 410.518 3.600 50 0 HHAALO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000007268089 569231069 /nfs/dbraw/zinc/23/10/69/569231069.db2.gz JFVZCMTYEQPRKN-OAHLLOKOSA-N 1 2 424.383 3.807 50 0 HHAALO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000007268089 569231070 /nfs/dbraw/zinc/23/10/70/569231070.db2.gz JFVZCMTYEQPRKN-OAHLLOKOSA-N 1 2 424.383 3.807 50 0 HHAALO O=C(/C=C/c1ccccc1Br)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000065474393 569231325 /nfs/dbraw/zinc/23/13/25/569231325.db2.gz VBFXCWAAMNXMAS-CMDGGOBGSA-N 1 2 401.304 3.933 50 0 HHAALO Cc1csc(Sc2ccc(NC(=O)NCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000065610472 569237658 /nfs/dbraw/zinc/23/76/58/569237658.db2.gz CQPPDXVHKSJUOX-HUUCEWRRSA-N 1 2 406.577 3.833 50 0 HHAALO CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]n1 ZINC000071009443 569251094 /nfs/dbraw/zinc/25/10/94/569251094.db2.gz HUYHAGCWRMHQMZ-UHFFFAOYSA-N 1 2 405.502 3.613 50 0 HHAALO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000089694233 569262565 /nfs/dbraw/zinc/26/25/65/569262565.db2.gz LUZRVGXPXUTUET-JOCHJYFZSA-N 1 2 411.546 3.885 50 0 HHAALO CCO[C@H]1C[C@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C12CCCCC2 ZINC000078879024 569421301 /nfs/dbraw/zinc/42/13/01/569421301.db2.gz VVJBKKMNLJUZHK-SFTDATJTSA-N 1 2 424.545 3.770 50 0 HHAALO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000078995733 569423196 /nfs/dbraw/zinc/42/31/96/569423196.db2.gz PINXXAZZMJLSJF-KRWDZBQOSA-N 1 2 424.932 3.968 50 0 HHAALO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000078995733 569423197 /nfs/dbraw/zinc/42/31/97/569423197.db2.gz PINXXAZZMJLSJF-KRWDZBQOSA-N 1 2 424.932 3.968 50 0 HHAALO Nc1nc(C[NH+]2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)nc2ccccc12 ZINC000079023831 569424553 /nfs/dbraw/zinc/42/45/53/569424553.db2.gz OLXREHQNPZSQLZ-UHFFFAOYSA-N 1 2 420.517 3.797 50 0 HHAALO CCOc1ccc(CN2CC[NH+](Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 ZINC000040018037 571139119 /nfs/dbraw/zinc/13/91/19/571139119.db2.gz DTPMIPZVVPAMJB-UHFFFAOYSA-N 1 2 408.498 3.524 50 0 HHAALO C[C@H](C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000040145268 571195603 /nfs/dbraw/zinc/19/56/03/571195603.db2.gz WNJFBNUSPJKKQA-UTKZUKDTSA-N 1 2 401.514 3.940 50 0 HHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000009265221 571243977 /nfs/dbraw/zinc/24/39/77/571243977.db2.gz IPVQDVHZQDVTGI-UHFFFAOYSA-N 1 2 409.461 3.531 50 0 HHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)CC1 ZINC000009265300 571244042 /nfs/dbraw/zinc/24/40/42/571244042.db2.gz YZUXVVMJAWXBQM-UHFFFAOYSA-N 1 2 405.498 3.700 50 0 HHAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1OC ZINC000009345469 571250087 /nfs/dbraw/zinc/25/00/87/571250087.db2.gz SEBCHSZDIIYSPJ-UHFFFAOYSA-N 1 2 420.494 3.867 50 0 HHAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc32)C[N@@H+]1C(C)C ZINC000014958680 962615510 /nfs/dbraw/zinc/61/55/10/962615510.db2.gz QOPDYSOHECMASY-MBSDFSHPSA-N 1 2 417.509 3.656 50 0 HHAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccc3)nc3ccccc32)C[N@H+]1C(C)C ZINC000014958680 962615516 /nfs/dbraw/zinc/61/55/16/962615516.db2.gz QOPDYSOHECMASY-MBSDFSHPSA-N 1 2 417.509 3.656 50 0 HHAALO O=C(/C=C/c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015767427 962859968 /nfs/dbraw/zinc/85/99/68/962859968.db2.gz PDDKWRFZZYRSMP-XBXARRHUSA-N 1 2 418.415 3.792 50 0 HHAALO CCCCn1c(C[N@H+](C)CCc2ccccc2)cnc1S(=O)(=O)CC1CCC1 ZINC000020536102 963389416 /nfs/dbraw/zinc/38/94/16/963389416.db2.gz NCRIAAYHYOMDNF-UHFFFAOYSA-N 1 2 403.592 3.932 50 0 HHAALO CCCCn1c(C[N@@H+](C)CCc2ccccc2)cnc1S(=O)(=O)CC1CCC1 ZINC000020536102 963389424 /nfs/dbraw/zinc/38/94/24/963389424.db2.gz NCRIAAYHYOMDNF-UHFFFAOYSA-N 1 2 403.592 3.932 50 0 HHAALO O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000033539059 966410619 /nfs/dbraw/zinc/41/06/19/966410619.db2.gz MWYPHMPIOXTFQF-LIXSYLKWSA-N 1 2 409.467 3.606 50 0 HHAALO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)nc2scc(-c3ccccc3)n21 ZINC000002659094 132256657 /nfs/dbraw/zinc/25/66/57/132256657.db2.gz QGNBTROHHNWVSK-UHFFFAOYSA-N 1 2 402.523 3.745 50 0 HHAALO COc1ccc(CC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1OC ZINC000003649740 132267738 /nfs/dbraw/zinc/26/77/38/132267738.db2.gz ZEGCWVAADITWIV-UHFFFAOYSA-N 1 2 421.497 3.578 50 0 HHAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000004724863 132286030 /nfs/dbraw/zinc/28/60/30/132286030.db2.gz OPURXXXTAWCZJL-UHFFFAOYSA-N 1 2 420.435 3.558 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000008325350 132329442 /nfs/dbraw/zinc/32/94/42/132329442.db2.gz APNGIHVBYYHEKV-HSZRJFAPSA-N 1 2 403.507 3.681 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000008325350 132329445 /nfs/dbraw/zinc/32/94/45/132329445.db2.gz APNGIHVBYYHEKV-HSZRJFAPSA-N 1 2 403.507 3.681 50 0 HHAALO C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000008779738 132333409 /nfs/dbraw/zinc/33/34/09/132333409.db2.gz IQWCIIITAXLZTB-SFHVURJKSA-N 1 2 420.557 3.871 50 0 HHAALO C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000008779738 132333410 /nfs/dbraw/zinc/33/34/10/132333410.db2.gz IQWCIIITAXLZTB-SFHVURJKSA-N 1 2 420.557 3.871 50 0 HHAALO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)c(Cl)c1 ZINC000012516025 132361352 /nfs/dbraw/zinc/36/13/52/132361352.db2.gz YDXBUSBJTIPNFK-UHFFFAOYSA-N 1 2 401.938 3.864 50 0 HHAALO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)c(Cl)c1 ZINC000012516025 132361353 /nfs/dbraw/zinc/36/13/53/132361353.db2.gz YDXBUSBJTIPNFK-UHFFFAOYSA-N 1 2 401.938 3.864 50 0 HHAALO COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012549965 132363043 /nfs/dbraw/zinc/36/30/43/132363043.db2.gz FHWQWRAMCQZFFR-INIZCTEOSA-N 1 2 421.463 3.713 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@@H](C)c3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012819541 132367643 /nfs/dbraw/zinc/36/76/43/132367643.db2.gz KMUYNXBOSSDKFB-KRWDZBQOSA-N 1 2 415.969 3.561 50 0 HHAALO CN([C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000012548004 523624850 /nfs/dbraw/zinc/62/48/50/523624850.db2.gz MSDIZQHDEDPHTP-QGZVFWFLSA-N 1 2 411.861 3.762 50 0 HHAALO COc1ccc(C2(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CCOCC2)cc1 ZINC000072403822 523865040 /nfs/dbraw/zinc/86/50/40/523865040.db2.gz GFDGVBZWTLDJKT-VMPITWQZSA-N 1 2 420.553 3.601 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](c2ccccc2)C1 ZINC000032753455 523885172 /nfs/dbraw/zinc/88/51/72/523885172.db2.gz JLXJHRHHRQIFJK-FQEVSTJZSA-N 1 2 411.502 3.990 50 0 HHAALO C[N@H+]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)[C@H](c2ccccc2)C1 ZINC000032753455 523885179 /nfs/dbraw/zinc/88/51/79/523885179.db2.gz JLXJHRHHRQIFJK-FQEVSTJZSA-N 1 2 411.502 3.990 50 0 HHAALO Cc1ccc(CN2CC[N@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)cc1 ZINC000020601778 524458204 /nfs/dbraw/zinc/45/82/04/524458204.db2.gz MEZUOHRSBTYQEF-QHCPKHFHSA-N 1 2 418.541 3.646 50 0 HHAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)cc1 ZINC000020601778 524458213 /nfs/dbraw/zinc/45/82/13/524458213.db2.gz MEZUOHRSBTYQEF-QHCPKHFHSA-N 1 2 418.541 3.646 50 0 HHAALO Cc1ccccc1C(=O)Nc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000040355365 525065096 /nfs/dbraw/zinc/06/50/96/525065096.db2.gz XZNFLEHXYBQHNZ-UHFFFAOYSA-N 1 2 420.538 3.662 50 0 HHAALO Cc1ccc(-c2nc(C(=O)N[C@H](C[NH+]3CCOCC3)c3ccc(C)cc3)cs2)o1 ZINC000032725352 525802280 /nfs/dbraw/zinc/80/22/80/525802280.db2.gz SGBZVDYTGVRIET-GOSISDBHSA-N 1 2 411.527 3.823 50 0 HHAALO O=C(CCSc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973436 526539916 /nfs/dbraw/zinc/53/99/16/526539916.db2.gz LPLOEUBPAOXHHN-UHFFFAOYSA-N 1 2 418.946 3.895 50 0 HHAALO CC[NH+]1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004315954 535742255 /nfs/dbraw/zinc/74/22/55/535742255.db2.gz TYILTYZPROMLMR-UHFFFAOYSA-N 1 2 415.946 3.863 50 0 HHAALO CCCCc1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)NC(C)C)CC2)n1 ZINC000071889311 557294049 /nfs/dbraw/zinc/29/40/49/557294049.db2.gz BGVCMTYZEIVJJK-LJQANCHMSA-N 1 2 405.587 3.987 50 0 HHAALO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000034678057 557366039 /nfs/dbraw/zinc/36/60/39/557366039.db2.gz FXGDDPWIYJJVRM-UHFFFAOYSA-N 1 2 412.440 3.523 50 0 HHAALO Cc1cccc(C(=O)N2CCc3[nH+]c(N4CCCC4)nc(N4CCC(C)CC4)c3C2)c1 ZINC000034679189 557367731 /nfs/dbraw/zinc/36/77/31/557367731.db2.gz VEEZSSDSDLWRCQ-UHFFFAOYSA-N 1 2 419.573 3.820 50 0 HHAALO COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034852482 557469107 /nfs/dbraw/zinc/46/91/07/557469107.db2.gz IUHWGILOKBUGBU-FQEVSTJZSA-N 1 2 400.494 3.715 50 0 HHAALO COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034852482 557469110 /nfs/dbraw/zinc/46/91/10/557469110.db2.gz IUHWGILOKBUGBU-FQEVSTJZSA-N 1 2 400.494 3.715 50 0 HHAALO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855601 557476803 /nfs/dbraw/zinc/47/68/03/557476803.db2.gz HDEIWTQUDNXEQS-CMJOXMDJSA-N 1 2 412.505 3.857 50 0 HHAALO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C1CC1)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855601 557476808 /nfs/dbraw/zinc/47/68/08/557476808.db2.gz HDEIWTQUDNXEQS-CMJOXMDJSA-N 1 2 412.505 3.857 50 0 HHAALO CCc1cccc2c([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(F)cc3)c[nH]c21 ZINC000035371280 557524602 /nfs/dbraw/zinc/52/46/02/557524602.db2.gz VTBUGGOMURURTK-QFIPXVFZSA-N 1 2 423.532 3.840 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000022767445 557815298 /nfs/dbraw/zinc/81/52/98/557815298.db2.gz CEUQRNXTKIHPON-FQEVSTJZSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000022767445 557815300 /nfs/dbraw/zinc/81/53/00/557815300.db2.gz CEUQRNXTKIHPON-FQEVSTJZSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019850348 558295472 /nfs/dbraw/zinc/29/54/72/558295472.db2.gz DDZGFFVIGHMXCW-UHFFFAOYSA-N 1 2 410.514 3.922 50 0 HHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)Cc1ccc2nonc2c1 ZINC000019853616 558296075 /nfs/dbraw/zinc/29/60/75/558296075.db2.gz YHILZBBDZBETKZ-UHFFFAOYSA-N 1 2 403.364 3.847 50 0 HHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)Cc1ccc2nonc2c1 ZINC000019853616 558296077 /nfs/dbraw/zinc/29/60/77/558296077.db2.gz YHILZBBDZBETKZ-UHFFFAOYSA-N 1 2 403.364 3.847 50 0 HHAALO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CC[NH+]1CCOCC1 ZINC000019902575 558305558 /nfs/dbraw/zinc/30/55/58/558305558.db2.gz JQKMIZKTEIFRLF-UHFFFAOYSA-N 1 2 416.543 3.869 50 0 HHAALO CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929076 558309137 /nfs/dbraw/zinc/30/91/37/558309137.db2.gz PXQMJUNNQUZYFG-UHFFFAOYSA-N 1 2 411.571 3.943 50 0 HHAALO Cc1ccc(OCn2ccc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c(C)c1 ZINC000020028716 558323148 /nfs/dbraw/zinc/32/31/48/558323148.db2.gz HQNIATWESJLRET-UHFFFAOYSA-N 1 2 422.504 3.634 50 0 HHAALO Fc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000020364023 558358446 /nfs/dbraw/zinc/35/84/46/558358446.db2.gz IZVWTJIIIRVVNN-UHFFFAOYSA-N 1 2 407.898 3.722 50 0 HHAALO COc1ccc2cc(-c3n[nH]cc3CN3CC[NH+](Cc4ccccn4)CC3)ccc2c1 ZINC000020513357 558382754 /nfs/dbraw/zinc/38/27/54/558382754.db2.gz WKVHARBNGFTJTC-UHFFFAOYSA-N 1 2 413.525 3.951 50 0 HHAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000012410994 558400535 /nfs/dbraw/zinc/40/05/35/558400535.db2.gz JELSZXWKDZATSF-QGZVFWFLSA-N 1 2 421.280 3.592 50 0 HHAALO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000012433484 558407229 /nfs/dbraw/zinc/40/72/29/558407229.db2.gz QOCPBTGGMCEXLH-OAQYLSRUSA-N 1 2 400.486 3.567 50 0 HHAALO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 ZINC000012433484 558407232 /nfs/dbraw/zinc/40/72/32/558407232.db2.gz QOCPBTGGMCEXLH-OAQYLSRUSA-N 1 2 400.486 3.567 50 0 HHAALO Cc1ccc(C2(c3noc(C[N@@H+]4CCCN(c5ncccn5)CC4)n3)CCCC2)cc1 ZINC000012579206 558431884 /nfs/dbraw/zinc/43/18/84/558431884.db2.gz QLXAKXFMFYKDAF-UHFFFAOYSA-N 1 2 418.545 3.740 50 0 HHAALO Cc1ccc(C2(c3noc(C[N@H+]4CCCN(c5ncccn5)CC4)n3)CCCC2)cc1 ZINC000012579206 558431887 /nfs/dbraw/zinc/43/18/87/558431887.db2.gz QLXAKXFMFYKDAF-UHFFFAOYSA-N 1 2 418.545 3.740 50 0 HHAALO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012872507 558482286 /nfs/dbraw/zinc/48/22/86/558482286.db2.gz LESWMVQSILDEHZ-NRFANRHFSA-N 1 2 416.543 3.655 50 0 HHAALO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012872507 558482289 /nfs/dbraw/zinc/48/22/89/558482289.db2.gz LESWMVQSILDEHZ-NRFANRHFSA-N 1 2 416.543 3.655 50 0 HHAALO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000022609651 558501346 /nfs/dbraw/zinc/50/13/46/558501346.db2.gz VBFZOWHHYPGSFN-FQEVSTJZSA-N 1 2 407.539 3.749 50 0 HHAALO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000022609651 558501350 /nfs/dbraw/zinc/50/13/50/558501350.db2.gz VBFZOWHHYPGSFN-FQEVSTJZSA-N 1 2 407.539 3.749 50 0 HHAALO CCC[N@H+](CC(=O)Nc1cc(F)ccc1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013040447 558506775 /nfs/dbraw/zinc/50/67/75/558506775.db2.gz OCNNXTRZDGPAQS-UHFFFAOYSA-N 1 2 411.399 3.841 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1cc(F)ccc1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013040447 558506776 /nfs/dbraw/zinc/50/67/76/558506776.db2.gz OCNNXTRZDGPAQS-UHFFFAOYSA-N 1 2 411.399 3.841 50 0 HHAALO CC(=O)Nc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c(F)c1 ZINC000013101658 558514338 /nfs/dbraw/zinc/51/43/38/558514338.db2.gz MJNIXLCSAKITPK-UHFFFAOYSA-N 1 2 421.457 3.888 50 0 HHAALO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022914463 558521140 /nfs/dbraw/zinc/52/11/40/558521140.db2.gz CSGNFNJNRVVFCD-SFHVURJKSA-N 1 2 413.512 3.683 50 0 HHAALO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000023111006 558534554 /nfs/dbraw/zinc/53/45/54/558534554.db2.gz VUAOHTDBADETJC-CALCHBBNSA-N 1 2 424.570 3.694 50 0 HHAALO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000023111006 558534557 /nfs/dbraw/zinc/53/45/57/558534557.db2.gz VUAOHTDBADETJC-CALCHBBNSA-N 1 2 424.570 3.694 50 0 HHAALO CN(C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000023229690 558543662 /nfs/dbraw/zinc/54/36/62/558543662.db2.gz VZIZUFNUMJTKRK-UHFFFAOYSA-N 1 2 415.537 3.762 50 0 HHAALO COc1cc2nc(C[NH2+]C(c3ccccc3)c3ccccc3)[nH]c(=O)c2cc1OC ZINC000023324532 558549047 /nfs/dbraw/zinc/54/90/47/558549047.db2.gz DTOMGDSGLDMKOV-UHFFFAOYSA-N 1 2 401.466 3.820 50 0 HHAALO COc1ccc2[nH]c(CN3CC[N@H+](Cc4ccccc4F)[C@@H](CCO)C3)c(C)c2c1 ZINC000023360235 558551831 /nfs/dbraw/zinc/55/18/31/558551831.db2.gz RESOFKXCJQGPBV-IBGZPJMESA-N 1 2 411.521 3.693 50 0 HHAALO COc1ccc2[nH]c(CN3CC[N@@H+](Cc4ccccc4F)[C@@H](CCO)C3)c(C)c2c1 ZINC000023360235 558551836 /nfs/dbraw/zinc/55/18/36/558551836.db2.gz RESOFKXCJQGPBV-IBGZPJMESA-N 1 2 411.521 3.693 50 0 HHAALO Brc1ccc(-c2csc3ncnc(NCC[NH+]4CCOCC4)c23)cc1 ZINC000023380768 558555283 /nfs/dbraw/zinc/55/52/83/558555283.db2.gz MFQRIJHUKPLMRP-UHFFFAOYSA-N 1 2 419.348 3.865 50 0 HHAALO O=C(CCn1ccc2ccc(Br)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000013691004 558572977 /nfs/dbraw/zinc/57/29/77/558572977.db2.gz KQDFNHTUMSEZIL-UHFFFAOYSA-N 1 2 413.319 3.538 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccc(F)cc1 ZINC000023778472 558575683 /nfs/dbraw/zinc/57/56/83/558575683.db2.gz ISJMBESMCFKUEE-GOSISDBHSA-N 1 2 424.457 3.985 50 0 HHAALO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)ccc2n1-c1ccccc1 ZINC000023956283 558582561 /nfs/dbraw/zinc/58/25/61/558582561.db2.gz KWDQYSZCMYHCBO-UHFFFAOYSA-N 1 2 411.509 3.687 50 0 HHAALO Cn1c(SCc2cn3cc(Cl)ccc3[nH+]2)nnc1[C@H]1COc2ccccc2O1 ZINC000024287933 558594307 /nfs/dbraw/zinc/59/43/07/558594307.db2.gz SDQFKXAIYVQFTL-MRXNPFEDSA-N 1 2 413.890 3.921 50 0 HHAALO COc1ccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)[NH+]2CCOCC2)cc1 ZINC000014185484 558630458 /nfs/dbraw/zinc/63/04/58/558630458.db2.gz NGVZJEDHQDRNDK-DEOSSOPVSA-N 1 2 404.510 3.581 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCCC4)CC1 ZINC000027270504 558671563 /nfs/dbraw/zinc/67/15/63/558671563.db2.gz ZXLUIPITNUADFG-UHFFFAOYSA-N 1 2 423.586 3.873 50 0 HHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000027337332 558671966 /nfs/dbraw/zinc/67/19/66/558671966.db2.gz PUDDCEDIGIFLAP-QGZVFWFLSA-N 1 2 418.950 3.608 50 0 HHAALO COCCN(Cc1cc2ccc(OC)cc2[nH+]c1N(C)C)C(=O)Cc1ccsc1 ZINC000014881585 558676245 /nfs/dbraw/zinc/67/62/45/558676245.db2.gz GBAWJYKBASXHDE-UHFFFAOYSA-N 1 2 413.543 3.589 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014929282 558679492 /nfs/dbraw/zinc/67/94/92/558679492.db2.gz TVQVNQMJJBMNFT-SFHVURJKSA-N 1 2 408.527 3.880 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000014929282 558679496 /nfs/dbraw/zinc/67/94/96/558679496.db2.gz TVQVNQMJJBMNFT-SFHVURJKSA-N 1 2 408.527 3.880 50 0 HHAALO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1)c1ccccc1 ZINC000014970240 558687004 /nfs/dbraw/zinc/68/70/04/558687004.db2.gz NWTZJCLZRFZZMN-HXUWFJFHSA-N 1 2 411.531 3.503 50 0 HHAALO COc1ccc(CCC(=O)NCCn2c(C)[nH+]c3ccccc32)cc1Br ZINC000028442272 558701147 /nfs/dbraw/zinc/70/11/47/558701147.db2.gz FHLPCGNFMCAEGH-UHFFFAOYSA-N 1 2 416.319 3.865 50 0 HHAALO C[N@H+](Cc1cc(C(=O)NCc2c[nH]nc2-c2ccccc2)no1)Cc1ccccc1 ZINC000015073985 558714735 /nfs/dbraw/zinc/71/47/35/558714735.db2.gz ICYNRNNMSVZFMD-UHFFFAOYSA-N 1 2 401.470 3.627 50 0 HHAALO C[N@@H+](Cc1cc(C(=O)NCc2c[nH]nc2-c2ccccc2)no1)Cc1ccccc1 ZINC000015073985 558714738 /nfs/dbraw/zinc/71/47/38/558714738.db2.gz ICYNRNNMSVZFMD-UHFFFAOYSA-N 1 2 401.470 3.627 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000029984122 558725409 /nfs/dbraw/zinc/72/54/09/558725409.db2.gz BPDONAVSLVMFIZ-UHFFFAOYSA-N 1 2 413.905 3.797 50 0 HHAALO CCc1ccc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583869 558774390 /nfs/dbraw/zinc/77/43/90/558774390.db2.gz WCAUMXBBQCOUDN-UHFFFAOYSA-N 1 2 418.493 3.778 50 0 HHAALO CCc1ccc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583869 558774392 /nfs/dbraw/zinc/77/43/92/558774392.db2.gz WCAUMXBBQCOUDN-UHFFFAOYSA-N 1 2 418.493 3.778 50 0 HHAALO COc1cccc(CCNC(=O)C2CCN(c3[nH]c4ccc(Cl)cc4[nH+]3)CC2)c1 ZINC000032977931 558803574 /nfs/dbraw/zinc/80/35/74/558803574.db2.gz YNAUURJXNXEEND-UHFFFAOYSA-N 1 2 412.921 3.800 50 0 HHAALO CCCC[N@H+](CCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000004669459 558877388 /nfs/dbraw/zinc/87/73/88/558877388.db2.gz SQFBCFRTFLWPGE-QHCPKHFHSA-N 1 2 421.585 3.891 50 0 HHAALO CCCC[N@@H+](CCCNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000004669459 558877390 /nfs/dbraw/zinc/87/73/90/558877390.db2.gz SQFBCFRTFLWPGE-QHCPKHFHSA-N 1 2 421.585 3.891 50 0 HHAALO CCCC[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000004669458 558877447 /nfs/dbraw/zinc/87/74/47/558877447.db2.gz SQFBCFRTFLWPGE-HSZRJFAPSA-N 1 2 421.585 3.891 50 0 HHAALO CCCC[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccccc1 ZINC000004669458 558877448 /nfs/dbraw/zinc/87/74/48/558877448.db2.gz SQFBCFRTFLWPGE-HSZRJFAPSA-N 1 2 421.585 3.891 50 0 HHAALO COc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000055387431 558880806 /nfs/dbraw/zinc/88/08/06/558880806.db2.gz ICCNWFHDFYEUMX-UHFFFAOYSA-N 1 2 401.466 3.902 50 0 HHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000058014443 558895222 /nfs/dbraw/zinc/89/52/22/558895222.db2.gz NZPRQMSQWSPUKK-UHFFFAOYSA-N 1 2 412.493 3.508 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc(Cl)cc1 ZINC000033161229 558896006 /nfs/dbraw/zinc/89/60/06/558896006.db2.gz VBRVSCWWAIEPJE-OALUTQOASA-N 1 2 412.852 3.611 50 0 HHAALO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1C ZINC000058135252 558900792 /nfs/dbraw/zinc/90/07/92/558900792.db2.gz RYMXKUKIJJGWMW-UHFFFAOYSA-N 1 2 410.493 3.850 50 0 HHAALO Cc1cccc2c(C(=O)N(Cc3[nH+]ccn3C)C(C)C)cc(-c3cnn(C)c3)nc12 ZINC000063856079 558959637 /nfs/dbraw/zinc/95/96/37/558959637.db2.gz PILWVAFRGQYJQG-UHFFFAOYSA-N 1 2 402.502 3.728 50 0 HHAALO Cc1cc(=O)c(OCC(=O)Nc2ccc3[nH]c(CCc4ccccc4)[nH+]c3c2)co1 ZINC000072404197 558970357 /nfs/dbraw/zinc/97/03/57/558970357.db2.gz GUOFQVAXBOVNBS-UHFFFAOYSA-N 1 2 403.438 3.627 50 0 HHAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)[nH+]c(C)n2)n1 ZINC000065362447 558973190 /nfs/dbraw/zinc/97/31/90/558973190.db2.gz QZQNBMBOPVYLRR-UHFFFAOYSA-N 1 2 419.533 3.559 50 0 HHAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)c(C)c1 ZINC000023108190 559010967 /nfs/dbraw/zinc/01/09/67/559010967.db2.gz CNVHDADASKENJE-QHCPKHFHSA-N 1 2 424.566 3.808 50 0 HHAALO Cc1c(S(=O)(=O)Nc2cccc3c2CC[N@@H+](C)C3)cnn1-c1ccc(Cl)cc1 ZINC000097212623 559012416 /nfs/dbraw/zinc/01/24/16/559012416.db2.gz LPULALCSMCNTTB-UHFFFAOYSA-N 1 2 416.934 3.623 50 0 HHAALO Cc1c(S(=O)(=O)Nc2cccc3c2CC[N@H+](C)C3)cnn1-c1ccc(Cl)cc1 ZINC000097212623 559012418 /nfs/dbraw/zinc/01/24/18/559012418.db2.gz LPULALCSMCNTTB-UHFFFAOYSA-N 1 2 416.934 3.623 50 0 HHAALO Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c3)[nH+]c12 ZINC000011596557 559112810 /nfs/dbraw/zinc/11/28/10/559112810.db2.gz RFTHMTIDHHYJMJ-UHFFFAOYSA-N 1 2 413.437 3.644 50 0 HHAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000109496861 559171552 /nfs/dbraw/zinc/17/15/52/559171552.db2.gz UNKLTRXXWKZTPX-QACNQIRISA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000109496861 559171553 /nfs/dbraw/zinc/17/15/53/559171553.db2.gz UNKLTRXXWKZTPX-QACNQIRISA-N 1 2 410.926 3.916 50 0 HHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000247859733 559176535 /nfs/dbraw/zinc/17/65/35/559176535.db2.gz VVIVFNQBYGCAAP-MAZHCROVSA-N 1 2 410.308 3.526 50 0 HHAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000247859733 559176536 /nfs/dbraw/zinc/17/65/36/559176536.db2.gz VVIVFNQBYGCAAP-MAZHCROVSA-N 1 2 410.308 3.526 50 0 HHAALO C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695716 559188922 /nfs/dbraw/zinc/18/89/22/559188922.db2.gz XRTXSUZYWLZSLT-QGZVFWFLSA-N 1 2 410.905 3.642 50 0 HHAALO O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CSC[N@@H+]1[C@H]2C=Cc1ccccc1 ZINC000138209256 559282012 /nfs/dbraw/zinc/28/20/12/559282012.db2.gz UNKLTRXXWKZTPX-LSTODMQZSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CSC[N@H+]1[C@H]2C=Cc1ccccc1 ZINC000138209256 559282014 /nfs/dbraw/zinc/28/20/14/559282014.db2.gz UNKLTRXXWKZTPX-LSTODMQZSA-N 1 2 410.926 3.916 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000033927500 560539857 /nfs/dbraw/zinc/53/98/57/560539857.db2.gz UIGBWXQTYVCZJA-HMMYKYKNSA-N 1 2 408.889 3.514 50 0 HHAALO Cc1ccc(SCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000014731410 560746253 /nfs/dbraw/zinc/74/62/53/560746253.db2.gz FIKGZYSVHWESJI-UHFFFAOYSA-N 1 2 411.571 3.615 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000100902982 560762399 /nfs/dbraw/zinc/76/23/99/560762399.db2.gz VMSPJWIOVOTBEH-IRLDBZIGSA-N 1 2 415.424 3.617 50 0 HHAALO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000024497939 560841213 /nfs/dbraw/zinc/84/12/13/560841213.db2.gz NENHBMYUQBTIJM-OAHLLOKOSA-N 1 2 409.349 3.517 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccccc4F)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103530383 560842549 /nfs/dbraw/zinc/84/25/49/560842549.db2.gz DRKRIHLARXGZMC-RBBKRZOGSA-N 1 2 415.424 3.617 50 0 HHAALO C[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000106465761 560891952 /nfs/dbraw/zinc/89/19/52/560891952.db2.gz VMIPUFMSZKLWEW-NLFFAJNJSA-N 1 2 419.569 3.722 50 0 HHAALO C[C@@H](NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000106465761 560891954 /nfs/dbraw/zinc/89/19/54/560891954.db2.gz VMIPUFMSZKLWEW-NLFFAJNJSA-N 1 2 419.569 3.722 50 0 HHAALO Cc1ccc([C@@H](C2Sc3nc(-c4ccco4)nn3C2=O)[NH+]2CCC(O)CC2)cc1 ZINC000022852427 568415583 /nfs/dbraw/zinc/41/55/83/568415583.db2.gz CWLLNDFUXASSGD-KRWDZBQOSA-N 1 2 410.499 3.611 50 0 HHAALO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907460 568415849 /nfs/dbraw/zinc/41/58/49/568415849.db2.gz HWYJPMKMNMCPKX-QFIPXVFZSA-N 1 2 417.509 3.696 50 0 HHAALO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907460 568415852 /nfs/dbraw/zinc/41/58/52/568415852.db2.gz HWYJPMKMNMCPKX-QFIPXVFZSA-N 1 2 417.509 3.696 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022907497 568416041 /nfs/dbraw/zinc/41/60/41/568416041.db2.gz FQLPECKIDUIVDQ-QFIPXVFZSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000022907497 568416043 /nfs/dbraw/zinc/41/60/43/568416043.db2.gz FQLPECKIDUIVDQ-QFIPXVFZSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1F ZINC000022907547 568416116 /nfs/dbraw/zinc/41/61/16/568416116.db2.gz COUPMEOVGSXHKG-NRFANRHFSA-N 1 2 421.472 3.581 50 0 HHAALO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1F ZINC000022907547 568416118 /nfs/dbraw/zinc/41/61/18/568416118.db2.gz COUPMEOVGSXHKG-NRFANRHFSA-N 1 2 421.472 3.581 50 0 HHAALO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000048289427 568435002 /nfs/dbraw/zinc/43/50/02/568435002.db2.gz UCRGDAHUMJSVDF-CQSZACIVSA-N 1 2 410.905 3.747 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccccc1N1CCC(O)CC1 ZINC000048313942 568439158 /nfs/dbraw/zinc/43/91/58/568439158.db2.gz CRJISEOSDBZVDN-UHFFFAOYSA-N 1 2 423.561 3.745 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@H](CNC(=O)C2CCCCC2)c2cccnc2)CC1 ZINC000049743597 568453327 /nfs/dbraw/zinc/45/33/27/568453327.db2.gz KYFMZTOOXJOANK-HSZRJFAPSA-N 1 2 422.573 3.650 50 0 HHAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1OC ZINC000000795845 568481230 /nfs/dbraw/zinc/48/12/30/568481230.db2.gz BJJPGTMNMXNVCN-UHFFFAOYSA-N 1 2 421.482 3.564 50 0 HHAALO CCc1[nH+]c(SCC(=O)NCC(F)(F)F)nc(N)c1-c1ccc(Cl)cc1 ZINC000022978490 568500934 /nfs/dbraw/zinc/50/09/34/568500934.db2.gz WGUVKTLLASMLIW-UHFFFAOYSA-N 1 2 404.845 3.712 50 0 HHAALO O=C(/C=C/c1cccc(Br)c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024928776 568514478 /nfs/dbraw/zinc/51/44/78/568514478.db2.gz GRINLODSKBUIRO-SQUSKLHYSA-N 1 2 415.331 3.652 50 0 HHAALO O=C(c1cc2c(s1)c1ccccc1oc2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020116787 568589513 /nfs/dbraw/zinc/58/95/13/568589513.db2.gz WZQPSMCKOXINIU-UHFFFAOYSA-N 1 2 404.491 3.966 50 0 HHAALO COC(=O)c1sc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc1Cl ZINC000095467524 568624726 /nfs/dbraw/zinc/62/47/26/568624726.db2.gz AQGSPBOKANWUKC-UHFFFAOYSA-N 1 2 402.907 3.585 50 0 HHAALO CCNC(=O)N1CCN(c2nc(C(C)C)[nH+]c(CC)c2Cc2ccccc2F)CC1 ZINC000096316759 568725641 /nfs/dbraw/zinc/72/56/41/568725641.db2.gz JIHLQYAGCJMXTJ-UHFFFAOYSA-N 1 2 413.541 3.744 50 0 HHAALO CC(=O)N1CCN(c2nc(C)[nH+]c(C(C)C)c2Cc2c(F)cccc2Cl)CC1 ZINC000096317867 568727129 /nfs/dbraw/zinc/72/71/29/568727129.db2.gz ASOVZAANLZBTFG-UHFFFAOYSA-N 1 2 404.917 3.960 50 0 HHAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1F ZINC000238950615 568727654 /nfs/dbraw/zinc/72/76/54/568727654.db2.gz YZCSIIBTITZEQU-HNNXBMFYSA-N 1 2 409.285 3.853 50 0 HHAALO C[C@@H]1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000241465994 568731214 /nfs/dbraw/zinc/73/12/14/568731214.db2.gz NTSIXYCCMDKUEO-NVXWUHKLSA-N 1 2 416.497 3.663 50 0 HHAALO COc1ccc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000021724411 568750987 /nfs/dbraw/zinc/75/09/87/568750987.db2.gz NMJAAICELBHYIF-UHFFFAOYSA-N 1 2 406.486 3.904 50 0 HHAALO COc1ccccc1CNC(=O)C1CC[NH+](Cc2noc(-c3ccc(C)cc3)n2)CC1 ZINC000021724210 568751027 /nfs/dbraw/zinc/75/10/27/568751027.db2.gz ATZBEKXBRUBMET-UHFFFAOYSA-N 1 2 420.513 3.582 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4F)C3)no2)cc1 ZINC000021724754 568751327 /nfs/dbraw/zinc/75/13/27/568751327.db2.gz 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402.336 3.827 50 0 HHAALO CC(C)NC(=O)CSc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648892 569081289 /nfs/dbraw/zinc/08/12/89/569081289.db2.gz XOADVLRRJDOXHV-KRWDZBQOSA-N 1 2 422.554 3.980 50 0 HHAALO Cc1cc(Nc2ccc(NS(=O)(=O)c3cccs3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801858 569097812 /nfs/dbraw/zinc/09/78/12/569097812.db2.gz LWGSMHHWNLHURR-UHFFFAOYSA-N 1 2 415.544 3.991 50 0 HHAALO CC[C@@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036252004 569119478 /nfs/dbraw/zinc/11/94/78/569119478.db2.gz AMUZNHQRVDBKRV-UZLBHIALSA-N 1 2 405.970 3.571 50 0 HHAALO CN(Cc1ccco1)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310936 569132085 /nfs/dbraw/zinc/13/20/85/569132085.db2.gz SUHRIYQTHSKFGA-JOCHJYFZSA-N 1 2 424.545 3.647 50 0 HHAALO O=C(Nc1cccc(F)c1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000036311888 569132667 /nfs/dbraw/zinc/13/26/67/569132667.db2.gz QIWTYIZHJKKIFD-OAQYLSRUSA-N 1 2 401.526 3.657 50 0 HHAALO 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569184121 /nfs/dbraw/zinc/18/41/21/569184121.db2.gz JCGFTPGFDDZRCS-RUZDIDTESA-N 1 2 415.537 3.614 50 0 HHAALO Cc1ccc(CC(=O)N2CCC[N@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000065172410 569189780 /nfs/dbraw/zinc/18/97/80/569189780.db2.gz FIVQSGWINIBIKV-UHFFFAOYSA-N 1 2 424.932 3.975 50 0 HHAALO Cc1ccc(CC(=O)N2CCC[N@@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000065172410 569189781 /nfs/dbraw/zinc/18/97/81/569189781.db2.gz FIVQSGWINIBIKV-UHFFFAOYSA-N 1 2 424.932 3.975 50 0 HHAALO Cc1ccc2[nH+]c(CSc3nnnn3-c3ccc(OC(F)(F)F)cc3)cn2c1 ZINC000006999812 569196821 /nfs/dbraw/zinc/19/68/21/569196821.db2.gz SRWVHQCBDNCWMX-UHFFFAOYSA-N 1 2 406.393 3.809 50 0 HHAALO COc1cccc(CNC(=O)Cn2cc[nH+]c2-c2ccnc(N3CCC(C)CC3)c2)c1 ZINC000065220596 569198075 /nfs/dbraw/zinc/19/80/75/569198075.db2.gz RHJBWNJLFJSWRI-UHFFFAOYSA-N 1 2 419.529 3.506 50 0 HHAALO COc1cc(OC)c(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000013324853 569255021 /nfs/dbraw/zinc/25/50/21/569255021.db2.gz YXMNGQCJWQGKBU-UHFFFAOYSA-N 1 2 405.882 3.833 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1nnc(-c2cccs2)o1 ZINC000007589781 569283606 /nfs/dbraw/zinc/28/36/06/569283606.db2.gz UNSWZEGCQQIZFE-UHFFFAOYSA-N 1 2 414.535 3.960 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1nnc(-c2cccs2)o1 ZINC000007589781 569283607 /nfs/dbraw/zinc/28/36/07/569283607.db2.gz UNSWZEGCQQIZFE-UHFFFAOYSA-N 1 2 414.535 3.960 50 0 HHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 ZINC000007742051 569306025 /nfs/dbraw/zinc/30/60/25/569306025.db2.gz NQODIYVTYRLZAR-OAQYLSRUSA-N 1 2 423.513 3.606 50 0 HHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 ZINC000007742051 569306026 /nfs/dbraw/zinc/30/60/26/569306026.db2.gz NQODIYVTYRLZAR-OAQYLSRUSA-N 1 2 423.513 3.606 50 0 HHAALO O=C(NCc1ccc(Cl)c(Cl)c1)C1=NO[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000066089007 569314427 /nfs/dbraw/zinc/31/44/27/569314427.db2.gz QVHJFGYCDFSOLM-LBPRGKRZSA-N 1 2 403.269 3.874 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(I)c1 ZINC000007878596 569315036 /nfs/dbraw/zinc/31/50/36/569315036.db2.gz PVUJYYIKVPCBHG-LLVKDONJSA-N 1 2 412.296 3.911 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(I)c1 ZINC000007878596 569315037 /nfs/dbraw/zinc/31/50/37/569315037.db2.gz PVUJYYIKVPCBHG-LLVKDONJSA-N 1 2 412.296 3.911 50 0 HHAALO Cc1[nH]c2c(cccc2C(=O)N2CCOc3ccc(C[NH+]4CCOCC4)cc3C2)c1C ZINC000019840074 569431090 /nfs/dbraw/zinc/43/10/90/569431090.db2.gz SEYLWAYTHVHMQP-UHFFFAOYSA-N 1 2 419.525 3.652 50 0 HHAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000038671808 571060619 /nfs/dbraw/zinc/06/06/19/571060619.db2.gz SNGMUQXRFZPWTK-UHFFFAOYSA-N 1 2 418.497 3.571 50 0 HHAALO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777800 571118156 /nfs/dbraw/zinc/11/81/56/571118156.db2.gz FVGURTNJRHWURG-ACJLOTCBSA-N 1 2 418.400 3.689 50 0 HHAALO CC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000040072019 571152580 /nfs/dbraw/zinc/15/25/80/571152580.db2.gz FHPILILHFHTSAJ-UHFFFAOYSA-N 1 2 421.419 3.502 50 0 HHAALO C[C@H](C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000040145270 571195448 /nfs/dbraw/zinc/19/54/48/571195448.db2.gz WNJFBNUSPJKKQA-DYESRHJHSA-N 1 2 401.514 3.940 50 0 HHAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000245237274 571219272 /nfs/dbraw/zinc/21/92/72/571219272.db2.gz HSPPQZKLKPXMJC-FUHWJXTLSA-N 1 2 418.559 3.624 50 0 HHAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000245237274 571219274 /nfs/dbraw/zinc/21/92/74/571219274.db2.gz HSPPQZKLKPXMJC-FUHWJXTLSA-N 1 2 418.559 3.624 50 0 HHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)c(C)c1 ZINC000245237897 571219630 /nfs/dbraw/zinc/21/96/30/571219630.db2.gz GLRVVZPGYJKNEX-CPJSRVTESA-N 1 2 419.569 3.702 50 0 HHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)c(C)c1 ZINC000245237897 571219631 /nfs/dbraw/zinc/21/96/31/571219631.db2.gz GLRVVZPGYJKNEX-CPJSRVTESA-N 1 2 419.569 3.702 50 0 HHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000009265115 571244046 /nfs/dbraw/zinc/24/40/46/571244046.db2.gz NUCXGCITPIGPEM-QGZVFWFLSA-N 1 2 421.497 3.617 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000009336469 571249163 /nfs/dbraw/zinc/24/91/63/571249163.db2.gz SVYPLIPDCSWGNH-LJQANCHMSA-N 1 2 412.493 3.667 50 0 HHAALO Cc1ccc(CN2C(SCCCc3ccccc3)=[NH+][C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009477055 571261651 /nfs/dbraw/zinc/26/16/51/571261651.db2.gz AXBGTAYQPPZYLV-LEWJYISDSA-N 1 2 414.596 3.698 50 0 HHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)[nH+]1 ZINC000009573371 571269206 /nfs/dbraw/zinc/26/92/06/571269206.db2.gz PLOIFPNIGCOWBT-UHFFFAOYSA-N 1 2 403.486 3.546 50 0 HHAALO COc1cc(/C=C\C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1OC(C)C ZINC000097996491 969182829 /nfs/dbraw/zinc/18/28/29/969182829.db2.gz XVKIXAORGDECOE-CLFYSBASSA-N 1 2 400.544 3.902 50 0 HHAALO COc1cc(OC)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Br ZINC000001227137 132243232 /nfs/dbraw/zinc/24/32/32/132243232.db2.gz MWIAMPGAACPVDE-UHFFFAOYSA-N 1 2 409.299 3.928 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000003300662 132264416 /nfs/dbraw/zinc/26/44/16/132264416.db2.gz YSEANJLQDXZLFV-LJQANCHMSA-N 1 2 418.324 3.756 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC000006887842 132319658 /nfs/dbraw/zinc/31/96/58/132319658.db2.gz RHDPYTSKJSOJFT-UHFFFAOYSA-N 1 2 419.547 3.845 50 0 HHAALO Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000006933396 132321109 /nfs/dbraw/zinc/32/11/09/132321109.db2.gz AFIJVGJIVRDIBO-UHFFFAOYSA-N 1 2 422.479 3.925 50 0 HHAALO O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000009287087 132338207 /nfs/dbraw/zinc/33/82/07/132338207.db2.gz VABFXTXAIFZXHY-QGZVFWFLSA-N 1 2 419.916 3.764 50 0 HHAALO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012550465 132363035 /nfs/dbraw/zinc/36/30/35/132363035.db2.gz MTYYDOWZPGBDOC-HXUWFJFHSA-N 1 2 403.448 3.847 50 0 HHAALO Cc1cc(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012779545 132367227 /nfs/dbraw/zinc/36/72/27/132367227.db2.gz HDWBHWWYBVPUNB-UHFFFAOYSA-N 1 2 406.452 3.819 50 0 HHAALO CNC(=O)c1ccccc1NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000032898961 521917221 /nfs/dbraw/zinc/91/72/21/521917221.db2.gz NTMGMVQKWSTSBE-UHFFFAOYSA-N 1 2 414.465 3.834 50 0 HHAALO C[N@H+](CC(=O)Nc1cccc2nsnc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911843 522515935 /nfs/dbraw/zinc/51/59/35/522515935.db2.gz LQPZRDYWHRRSER-YJBOKZPZSA-N 1 2 423.325 3.527 50 0 HHAALO C[N@@H+](CC(=O)Nc1cccc2nsnc21)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000032911843 522515942 /nfs/dbraw/zinc/51/59/42/522515942.db2.gz LQPZRDYWHRRSER-YJBOKZPZSA-N 1 2 423.325 3.527 50 0 HHAALO COc1cccc([C@@H](NC(=O)NCc2coc(-c3cccs3)n2)c2[nH+]ccn2C)c1 ZINC000032802460 524097911 /nfs/dbraw/zinc/09/79/11/524097911.db2.gz SYPLACAPFYWFOY-GOSISDBHSA-N 1 2 423.498 3.734 50 0 HHAALO Cc1c(C)n(Cc2cccc(C)c2)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc12 ZINC000020597585 525685063 /nfs/dbraw/zinc/68/50/63/525685063.db2.gz BTVTVFHLNHXUGT-UHFFFAOYSA-N 1 2 405.542 3.677 50 0 HHAALO CSc1cccc(N2C[C@H](C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)c1 ZINC000032970955 526107340 /nfs/dbraw/zinc/10/73/40/526107340.db2.gz MMPINKSUQOKEKV-SJLPKXTDSA-N 1 2 420.538 3.825 50 0 HHAALO O=C(NCc1cccc(C(F)(F)F)c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032779747 526710493 /nfs/dbraw/zinc/71/04/93/526710493.db2.gz UDFMGVXFXKDGIP-LJQANCHMSA-N 1 2 407.436 3.578 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727059 526831843 /nfs/dbraw/zinc/83/18/43/526831843.db2.gz PUYXGBKMVCVGDK-LRSLUSHPSA-N 1 2 416.477 3.806 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727059 526831845 /nfs/dbraw/zinc/83/18/45/526831845.db2.gz PUYXGBKMVCVGDK-LRSLUSHPSA-N 1 2 416.477 3.806 50 0 HHAALO CC[NH+]1CCN(c2c3cc(C)ccc3ncc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000005926922 535742477 /nfs/dbraw/zinc/74/24/77/535742477.db2.gz OCCCAZXKDSJWSR-UHFFFAOYSA-N 1 2 409.555 3.826 50 0 HHAALO CC[C@@H](C(=O)N1CCc2[nH+]c(N3CCC(C)CC3)nc(N(C)C)c2C1)c1ccccc1 ZINC000034756312 557458701 /nfs/dbraw/zinc/45/87/01/557458701.db2.gz IWCYLFJMXVVNBH-HXUWFJFHSA-N 1 2 421.589 3.857 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(F)c1 ZINC000034855487 557476998 /nfs/dbraw/zinc/47/69/98/557476998.db2.gz GDBRGBITWYMNJD-OYHNWAKOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(F)c1 ZINC000034855487 557476999 /nfs/dbraw/zinc/47/69/99/557476999.db2.gz GDBRGBITWYMNJD-OYHNWAKOSA-N 1 2 415.509 3.650 50 0 HHAALO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCC3)sc3c2CCC3)cc1 ZINC000004845556 557605668 /nfs/dbraw/zinc/60/56/68/557605668.db2.gz ICIOCDGZWWHDTR-UHFFFAOYSA-N 1 2 413.543 3.922 50 0 HHAALO CCOc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc(OCC)c1OCC ZINC000022698943 557793788 /nfs/dbraw/zinc/79/37/88/557793788.db2.gz CZQWGXDOFOSUFU-UHFFFAOYSA-N 1 2 405.520 3.579 50 0 HHAALO CCOc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc(OCC)c1OCC ZINC000022698943 557793790 /nfs/dbraw/zinc/79/37/90/557793790.db2.gz CZQWGXDOFOSUFU-UHFFFAOYSA-N 1 2 405.520 3.579 50 0 HHAALO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000022698451 557794276 /nfs/dbraw/zinc/79/42/76/557794276.db2.gz JDHCIODFUBJSIR-UHFFFAOYSA-N 1 2 411.531 3.958 50 0 HHAALO COC(=O)c1ccccc1NC(=O)CNc1[nH+]c2ccccc2n1Cc1ccccc1 ZINC000008717069 557801880 /nfs/dbraw/zinc/80/18/80/557801880.db2.gz ZIYLABGITNENDX-UHFFFAOYSA-N 1 2 414.465 3.922 50 0 HHAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019720655 558258897 /nfs/dbraw/zinc/25/88/97/558258897.db2.gz GBYRDWDZZPYLTJ-SFHVURJKSA-N 1 2 422.287 3.587 50 0 HHAALO Cc1cccc(C[N@@H+]2CCN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)n1 ZINC000019720724 558259039 /nfs/dbraw/zinc/25/90/39/558259039.db2.gz JMENGZJEIACJJD-NRFANRHFSA-N 1 2 408.571 3.582 50 0 HHAALO Cc1cccc(C[N@H+]2CCN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)n1 ZINC000019720724 558259043 /nfs/dbraw/zinc/25/90/43/558259043.db2.gz JMENGZJEIACJJD-NRFANRHFSA-N 1 2 408.571 3.582 50 0 HHAALO COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019831877 558291916 /nfs/dbraw/zinc/29/19/16/558291916.db2.gz SNAXAXJLHAGEMV-UHFFFAOYSA-N 1 2 419.319 3.851 50 0 HHAALO COc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1OCc1ccccc1 ZINC000019921090 558307084 /nfs/dbraw/zinc/30/70/84/558307084.db2.gz FDNSEKYWLMXNRQ-UHFFFAOYSA-N 1 2 403.526 3.987 50 0 HHAALO COc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1OCc1ccccc1 ZINC000019921090 558307086 /nfs/dbraw/zinc/30/70/86/558307086.db2.gz FDNSEKYWLMXNRQ-UHFFFAOYSA-N 1 2 403.526 3.987 50 0 HHAALO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000019929087 558309150 /nfs/dbraw/zinc/30/91/50/558309150.db2.gz TZOSXEYMIPZZCP-UHFFFAOYSA-N 1 2 424.353 3.952 50 0 HHAALO Cc1cc(C)cc(OCn2ccc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000020028695 558323075 /nfs/dbraw/zinc/32/30/75/558323075.db2.gz VUJNKUJFZCSQII-UHFFFAOYSA-N 1 2 422.504 3.634 50 0 HHAALO Fc1ccc2c(c1)c1nnc(SCC[NH+]3CCOCC3)nc1n2Cc1ccccc1 ZINC000020029449 558323566 /nfs/dbraw/zinc/32/35/66/558323566.db2.gz MNQANISLFLTXTK-UHFFFAOYSA-N 1 2 423.517 3.591 50 0 HHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000012135909 558333707 /nfs/dbraw/zinc/33/37/07/558333707.db2.gz NRDRKCOCMBUCHA-XLIONFOSSA-N 1 2 406.498 3.797 50 0 HHAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000012135909 558333709 /nfs/dbraw/zinc/33/37/09/558333709.db2.gz NRDRKCOCMBUCHA-XLIONFOSSA-N 1 2 406.498 3.797 50 0 HHAALO COc1ccc2cc(C[NH2+]Cc3nccn3C)c(OCc3ccccc3F)nc2c1 ZINC000012242532 558360715 /nfs/dbraw/zinc/36/07/15/558360715.db2.gz BFOKVCHYZGDQTA-UHFFFAOYSA-N 1 2 406.461 3.985 50 0 HHAALO COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1Cl ZINC000012281565 558365492 /nfs/dbraw/zinc/36/54/92/558365492.db2.gz UJSKBUSVPDNBQY-QUCCMNQESA-N 1 2 422.953 3.977 50 0 HHAALO COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1Cl ZINC000012281565 558365495 /nfs/dbraw/zinc/36/54/95/558365495.db2.gz UJSKBUSVPDNBQY-QUCCMNQESA-N 1 2 422.953 3.977 50 0 HHAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)c(F)c1 ZINC000020452080 558366228 /nfs/dbraw/zinc/36/62/28/558366228.db2.gz CCINMOOHFPNXIW-IBGZPJMESA-N 1 2 404.551 3.625 50 0 HHAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)c(F)c1 ZINC000020452080 558366231 /nfs/dbraw/zinc/36/62/31/558366231.db2.gz CCINMOOHFPNXIW-IBGZPJMESA-N 1 2 404.551 3.625 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3c3cccnc3)n2)c(OC)c1OC ZINC000012315125 558378617 /nfs/dbraw/zinc/37/86/17/558378617.db2.gz BLPRYKFOATZMCD-KRWDZBQOSA-N 1 2 410.474 3.885 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3c3cccnc3)n2)c(OC)c1OC ZINC000012315125 558378619 /nfs/dbraw/zinc/37/86/19/558378619.db2.gz BLPRYKFOATZMCD-KRWDZBQOSA-N 1 2 410.474 3.885 50 0 HHAALO C[C@H]1CCCCN1c1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020518525 558383380 /nfs/dbraw/zinc/38/33/80/558383380.db2.gz MYYRJHSLLXIERB-HNNXBMFYSA-N 1 2 419.558 3.671 50 0 HHAALO C[C@H]1CCCCN1c1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020518525 558383383 /nfs/dbraw/zinc/38/33/83/558383383.db2.gz MYYRJHSLLXIERB-HNNXBMFYSA-N 1 2 419.558 3.671 50 0 HHAALO CS(=O)(=O)c1ncc(C[N@H+](CC2CCC2)C[C@@H]2CCCO2)n1CC1CCCCC1 ZINC000012447351 558414779 /nfs/dbraw/zinc/41/47/79/558414779.db2.gz ISXJXBPJIQJYOW-NRFANRHFSA-N 1 2 423.623 3.648 50 0 HHAALO CS(=O)(=O)c1ncc(C[N@@H+](CC2CCC2)C[C@@H]2CCCO2)n1CC1CCCCC1 ZINC000012447351 558414782 /nfs/dbraw/zinc/41/47/82/558414782.db2.gz ISXJXBPJIQJYOW-NRFANRHFSA-N 1 2 423.623 3.648 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)N1CCCCCC1 ZINC000004341692 558425216 /nfs/dbraw/zinc/42/52/16/558425216.db2.gz XNICTOHCLIBSBW-UHFFFAOYSA-N 1 2 401.923 3.964 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCc3ccc(F)c(Cl)c3)CC2)c1 ZINC000072075440 558453275 /nfs/dbraw/zinc/45/32/75/558453275.db2.gz PGFGLRYSRDCEDO-UHFFFAOYSA-N 1 2 421.900 3.524 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1I ZINC000022558512 558499483 /nfs/dbraw/zinc/49/94/83/558499483.db2.gz KYTVAKDXZRYPKM-UHFFFAOYSA-N 1 2 405.239 3.842 50 0 HHAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3c(C)cc(C)cc3C)CC2)cc1 ZINC000022608869 558501090 /nfs/dbraw/zinc/50/10/90/558501090.db2.gz GTRBBWJTARVKOX-QFIPXVFZSA-N 1 2 410.558 3.766 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@@H](c3ccccc3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000013010833 558503246 /nfs/dbraw/zinc/50/32/46/558503246.db2.gz VDWNWOLVRYZBAI-HSZRJFAPSA-N 1 2 409.578 3.544 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000022775911 558509362 /nfs/dbraw/zinc/50/93/62/558509362.db2.gz YAMXNXYHDSSBTC-UHFFFAOYSA-N 1 2 412.603 3.885 50 0 HHAALO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000022913815 558520620 /nfs/dbraw/zinc/52/06/20/558520620.db2.gz INBJZXFSTMIDRY-HXUWFJFHSA-N 1 2 409.603 3.799 50 0 HHAALO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000022913815 558520622 /nfs/dbraw/zinc/52/06/22/558520622.db2.gz INBJZXFSTMIDRY-HXUWFJFHSA-N 1 2 409.603 3.799 50 0 HHAALO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1 ZINC000023128712 558536418 /nfs/dbraw/zinc/53/64/18/558536418.db2.gz AYBNZKMRNGXLET-UHFFFAOYSA-N 1 2 411.531 3.584 50 0 HHAALO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023735192 558571932 /nfs/dbraw/zinc/57/19/32/558571932.db2.gz BBFZRJCQJONIMJ-UHFFFAOYSA-N 1 2 411.527 3.890 50 0 HHAALO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736279 558572245 /nfs/dbraw/zinc/57/22/45/558572245.db2.gz XSWPUOSRHVXWCI-UHFFFAOYSA-N 1 2 409.559 3.909 50 0 HHAALO COc1ccc(N(Cc2cccs2)C(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000023882871 558580080 /nfs/dbraw/zinc/58/00/80/558580080.db2.gz YFHVFCWUMVMCJC-UHFFFAOYSA-N 1 2 422.554 3.507 50 0 HHAALO O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024114881 558589588 /nfs/dbraw/zinc/58/95/88/558589588.db2.gz YAKQIJZZPNLGJP-UHFFFAOYSA-N 1 2 416.521 3.881 50 0 HHAALO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1cnn(Cc2ccccc2)c1 ZINC000014094988 558619755 /nfs/dbraw/zinc/61/97/55/558619755.db2.gz VFRYYFMDDDFCCM-UHFFFAOYSA-N 1 2 403.530 3.602 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1cnn(Cc2ccccc2)c1 ZINC000014094988 558619757 /nfs/dbraw/zinc/61/97/57/558619757.db2.gz VFRYYFMDDDFCCM-UHFFFAOYSA-N 1 2 403.530 3.602 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000014183540 558629166 /nfs/dbraw/zinc/62/91/66/558629166.db2.gz RXCOQKSZTZUGRW-SFHVURJKSA-N 1 2 409.313 3.562 50 0 HHAALO COc1ccc([C@H](NC(=O)Cc2nc(-c3cccs3)oc2C)c2[nH+]ccn2C)cc1 ZINC000025075270 558630632 /nfs/dbraw/zinc/63/06/32/558630632.db2.gz IANCKXYZJFUGSH-FQEVSTJZSA-N 1 2 422.510 3.902 50 0 HHAALO Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000025179901 558633994 /nfs/dbraw/zinc/63/39/94/558633994.db2.gz QRBMGPOUXGCTCN-UHFFFAOYSA-N 1 2 404.499 3.800 50 0 HHAALO O=C(NN1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(Br)cc1 ZINC000025326806 558638223 /nfs/dbraw/zinc/63/82/23/558638223.db2.gz ZKQIATUBZLGYEY-UHFFFAOYSA-N 1 2 408.727 3.565 50 0 HHAALO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025765534 558649375 /nfs/dbraw/zinc/64/93/75/558649375.db2.gz HCZMETRIVIPHKD-VWLOTQADSA-N 1 2 417.509 3.525 50 0 HHAALO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025765534 558649377 /nfs/dbraw/zinc/64/93/77/558649377.db2.gz HCZMETRIVIPHKD-VWLOTQADSA-N 1 2 417.509 3.525 50 0 HHAALO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000014251441 558650145 /nfs/dbraw/zinc/65/01/45/558650145.db2.gz RMOPAHVZTFBAEC-SFHVURJKSA-N 1 2 421.516 3.794 50 0 HHAALO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000014251441 558650149 /nfs/dbraw/zinc/65/01/49/558650149.db2.gz RMOPAHVZTFBAEC-SFHVURJKSA-N 1 2 421.516 3.794 50 0 HHAALO O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000026552522 558663032 /nfs/dbraw/zinc/66/30/32/558663032.db2.gz SPMVTQOLPAOIMM-GNZRSQJKSA-N 1 2 409.452 3.867 50 0 HHAALO O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000026552522 558663034 /nfs/dbraw/zinc/66/30/34/558663034.db2.gz SPMVTQOLPAOIMM-GNZRSQJKSA-N 1 2 409.452 3.867 50 0 HHAALO NC(=O)[C@H](Sc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1)c1ccccc1 ZINC000014774658 558672302 /nfs/dbraw/zinc/67/23/02/558672302.db2.gz WZDQFOMUQMLPRM-OAQYLSRUSA-N 1 2 421.570 3.631 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCc2sccc2C1 ZINC000014807904 558673494 /nfs/dbraw/zinc/67/34/94/558673494.db2.gz ODXLWYMKBJTXFB-UHFFFAOYSA-N 1 2 407.524 3.554 50 0 HHAALO COc1ccc(-c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000027511590 558673619 /nfs/dbraw/zinc/67/36/19/558673619.db2.gz OJIAJBYVIPWIGS-QGZVFWFLSA-N 1 2 408.502 3.775 50 0 HHAALO COc1ccc(-c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3N3CCOCC3)o2)cc1 ZINC000027511590 558673621 /nfs/dbraw/zinc/67/36/21/558673621.db2.gz OJIAJBYVIPWIGS-QGZVFWFLSA-N 1 2 408.502 3.775 50 0 HHAALO COC(=O)c1c(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nc2ccccc2c1-c1ccccc1 ZINC000027566990 558675103 /nfs/dbraw/zinc/67/51/03/558675103.db2.gz FUHOXFOOQCWTDD-OAQYLSRUSA-N 1 2 417.509 3.741 50 0 HHAALO COC(=O)c1c(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)nc2ccccc2c1-c1ccccc1 ZINC000027566990 558675105 /nfs/dbraw/zinc/67/51/05/558675105.db2.gz FUHOXFOOQCWTDD-OAQYLSRUSA-N 1 2 417.509 3.741 50 0 HHAALO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)C(=O)OCC ZINC000004571868 558746389 /nfs/dbraw/zinc/74/63/89/558746389.db2.gz DUFZPPFRRJGQSR-FQEVSTJZSA-N 1 2 414.546 3.823 50 0 HHAALO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)[C@@H](C)C(=O)OCC ZINC000004571868 558746391 /nfs/dbraw/zinc/74/63/91/558746391.db2.gz DUFZPPFRRJGQSR-FQEVSTJZSA-N 1 2 414.546 3.823 50 0 HHAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC000015778929 558753095 /nfs/dbraw/zinc/75/30/95/558753095.db2.gz MLNYUUYGLFUVCQ-UHFFFAOYSA-N 1 2 404.470 3.558 50 0 HHAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC000015778929 558753097 /nfs/dbraw/zinc/75/30/97/558753097.db2.gz MLNYUUYGLFUVCQ-UHFFFAOYSA-N 1 2 404.470 3.558 50 0 HHAALO CCCOc1ccccc1[C@H](CC(C)C)Nc1[nH+]cnc2c1cnn2CC(=O)OC ZINC000072307332 558767142 /nfs/dbraw/zinc/76/71/42/558767142.db2.gz JRADJJGGCKXNJW-SFHVURJKSA-N 1 2 411.506 3.987 50 0 HHAALO COc1cc(COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)cc(OC)c1 ZINC000004583962 558774593 /nfs/dbraw/zinc/77/45/93/558774593.db2.gz YMLLIKLDEITSDP-UHFFFAOYSA-N 1 2 407.466 3.794 50 0 HHAALO COc1cc(COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)cc(OC)c1 ZINC000004583962 558774596 /nfs/dbraw/zinc/77/45/96/558774596.db2.gz YMLLIKLDEITSDP-UHFFFAOYSA-N 1 2 407.466 3.794 50 0 HHAALO Cc1ccc(-c2nnc(CCC(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)o2)s1 ZINC000019111208 558841725 /nfs/dbraw/zinc/84/17/25/558841725.db2.gz YTRQUZXBQWDDCV-KRWDZBQOSA-N 1 2 407.499 3.793 50 0 HHAALO COc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000013573336 558844784 /nfs/dbraw/zinc/84/47/84/558844784.db2.gz KYFUNOQOHHZTFO-UHFFFAOYSA-N 1 2 405.589 3.678 50 0 HHAALO CCOc1cc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)ccc1OC ZINC000033072160 558866756 /nfs/dbraw/zinc/86/67/56/558866756.db2.gz VKEVNQVAPYCJPM-SFHVURJKSA-N 1 2 422.529 3.811 50 0 HHAALO CCOc1cc(CNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)ccc1OC ZINC000033072160 558866760 /nfs/dbraw/zinc/86/67/60/558866760.db2.gz VKEVNQVAPYCJPM-SFHVURJKSA-N 1 2 422.529 3.811 50 0 HHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4nc(C)cnc4C)CC3)c(C)o2)cc1C ZINC000055107815 558872895 /nfs/dbraw/zinc/87/28/95/558872895.db2.gz HXRYZCOESQQWCI-UHFFFAOYSA-N 1 2 407.518 3.696 50 0 HHAALO Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CC[NH+](C)CC1)CC[C@@H](C)C2 ZINC000055212201 558876508 /nfs/dbraw/zinc/87/65/08/558876508.db2.gz SCGZPMFTBCWYSM-OAHLLOKOSA-N 1 2 411.571 3.821 50 0 HHAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](Cc1ccccn1)C[C@@H]1CCC(=O)N1 ZINC000055309249 558878808 /nfs/dbraw/zinc/87/88/08/558878808.db2.gz ZRFHIHKDJJXAIS-KRWDZBQOSA-N 1 2 410.905 3.979 50 0 HHAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](Cc1ccccn1)C[C@@H]1CCC(=O)N1 ZINC000055309249 558878811 /nfs/dbraw/zinc/87/88/11/558878811.db2.gz ZRFHIHKDJJXAIS-KRWDZBQOSA-N 1 2 410.905 3.979 50 0 HHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019372533 558879854 /nfs/dbraw/zinc/87/98/54/558879854.db2.gz CBBMFRVRGSZKIZ-UHFFFAOYSA-N 1 2 405.498 3.514 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000057291848 558888025 /nfs/dbraw/zinc/88/80/25/558888025.db2.gz SFGNVNVLHLUJER-UHFFFAOYSA-N 1 2 421.507 3.912 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000058161849 558905909 /nfs/dbraw/zinc/90/59/09/558905909.db2.gz JNUGZBWJOOHGHB-UHFFFAOYSA-N 1 2 413.827 3.825 50 0 HHAALO COc1ccccc1N1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000058173615 558908777 /nfs/dbraw/zinc/90/87/77/558908777.db2.gz CVYAZTMKDFOPMO-SFHVURJKSA-N 1 2 411.571 3.735 50 0 HHAALO Cc1ccc2c(C(=O)N3CC[C@H](n4cc[nH+]c4)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000063856092 558959590 /nfs/dbraw/zinc/95/95/90/558959590.db2.gz CTHQEAPYHGMICY-SFHVURJKSA-N 1 2 400.486 3.536 50 0 HHAALO C[C@@H]1CC[C@@H](C)N1C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000067842186 558993672 /nfs/dbraw/zinc/99/36/72/558993672.db2.gz ZXMPYKDLETUUCD-WOPDUGCTSA-N 1 2 408.546 3.519 50 0 HHAALO CCn1c[nH+]cc1CN1C[C@@H]2C[C@H]1C(=O)N2c1cc(-c2ccccc2)ccc1OC ZINC000077320797 559001356 /nfs/dbraw/zinc/00/13/56/559001356.db2.gz YUQGPKRKKVWHQQ-UGKGYDQZSA-N 1 2 402.498 3.568 50 0 HHAALO Cc1ccccc1[C@H](CC(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC000095496757 559081537 /nfs/dbraw/zinc/08/15/37/559081537.db2.gz WFADZAUZTRCFMY-HSZRJFAPSA-N 1 2 403.526 3.767 50 0 HHAALO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1cncnc1)CC2 ZINC000095508154 559083519 /nfs/dbraw/zinc/08/35/19/559083519.db2.gz YMHCTPJWAXXLBS-UHFFFAOYSA-N 1 2 402.498 3.615 50 0 HHAALO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@H+](Cc1cncnc1)CC2 ZINC000095508154 559083521 /nfs/dbraw/zinc/08/35/21/559083521.db2.gz YMHCTPJWAXXLBS-UHFFFAOYSA-N 1 2 402.498 3.615 50 0 HHAALO CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096280284 559108727 /nfs/dbraw/zinc/10/87/27/559108727.db2.gz MZCIILLOHDNHPA-JOCHJYFZSA-N 1 2 413.606 3.827 50 0 HHAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@H+]3CSC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000247753017 559117005 /nfs/dbraw/zinc/11/70/05/559117005.db2.gz UNKLTRXXWKZTPX-OHQHDUCPSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@@H+]3CSC[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000247753017 559117006 /nfs/dbraw/zinc/11/70/06/559117006.db2.gz UNKLTRXXWKZTPX-OHQHDUCPSA-N 1 2 410.926 3.916 50 0 HHAALO CC[N@H+](CCCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C)c1cccc(C)c1 ZINC000004922032 559206995 /nfs/dbraw/zinc/20/69/95/559206995.db2.gz XDTJJPDMVAFSJO-UHFFFAOYSA-N 1 2 416.525 3.975 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C)c1cccc(C)c1 ZINC000004922032 559206997 /nfs/dbraw/zinc/20/69/97/559206997.db2.gz XDTJJPDMVAFSJO-UHFFFAOYSA-N 1 2 416.525 3.975 50 0 HHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COc4ccccc4C3)c2C1 ZINC000061210621 559224404 /nfs/dbraw/zinc/22/44/04/559224404.db2.gz PFVODNZTJBLOKA-QGZVFWFLSA-N 1 2 401.510 3.594 50 0 HHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COc4ccccc4C3)c2C1 ZINC000061210621 559224406 /nfs/dbraw/zinc/22/44/06/559224406.db2.gz PFVODNZTJBLOKA-QGZVFWFLSA-N 1 2 401.510 3.594 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000033749566 559240775 /nfs/dbraw/zinc/24/07/75/559240775.db2.gz LPUXTZWNWDSBQR-YVEFUNNKSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000033749566 559240778 /nfs/dbraw/zinc/24/07/78/559240778.db2.gz LPUXTZWNWDSBQR-YVEFUNNKSA-N 1 2 402.520 3.643 50 0 HHAALO COCCn1c(SCc2cn3cc(Cl)ccc3[nH+]2)nnc1-c1ccncc1 ZINC000005267391 560553957 /nfs/dbraw/zinc/55/39/57/560553957.db2.gz RJPMYOFAZQYIGF-UHFFFAOYSA-N 1 2 400.895 3.580 50 0 HHAALO Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000046717392 560842836 /nfs/dbraw/zinc/84/28/36/560842836.db2.gz GAOBMPYTDBYSJD-CQSZACIVSA-N 1 2 410.905 3.747 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000105551589 560875573 /nfs/dbraw/zinc/87/55/73/560875573.db2.gz SMELWYAABSTMBE-TZMCWYRMSA-N 1 2 423.485 3.690 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000105551589 560875575 /nfs/dbraw/zinc/87/55/75/560875575.db2.gz SMELWYAABSTMBE-TZMCWYRMSA-N 1 2 423.485 3.690 50 0 HHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000105711508 560876902 /nfs/dbraw/zinc/87/69/02/560876902.db2.gz OMRPTXZNALNJBG-SJCJKPOMSA-N 1 2 423.460 3.974 50 0 HHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000105711508 560876904 /nfs/dbraw/zinc/87/69/04/560876904.db2.gz OMRPTXZNALNJBG-SJCJKPOMSA-N 1 2 423.460 3.974 50 0 HHAALO C[N@@H+]1CCc2nc(NC(=O)c3nc(-c4ccccc4)n4c3CCCCC4)sc2C1 ZINC000046024775 568424380 /nfs/dbraw/zinc/42/43/80/568424380.db2.gz WSAWATZYBGDMSD-UHFFFAOYSA-N 1 2 407.543 3.973 50 0 HHAALO C[N@H+]1CCc2nc(NC(=O)c3nc(-c4ccccc4)n4c3CCCCC4)sc2C1 ZINC000046024775 568424381 /nfs/dbraw/zinc/42/43/81/568424381.db2.gz WSAWATZYBGDMSD-UHFFFAOYSA-N 1 2 407.543 3.973 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1nnc(-c2ccccn2)s1 ZINC000047791280 568431230 /nfs/dbraw/zinc/43/12/30/568431230.db2.gz CSIANPPCIGGDGG-UHFFFAOYSA-N 1 2 409.519 3.697 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@H](C)Cn3cc[nH+]c3)[C@@H]2c2cccs2)cc1 ZINC000048273237 568434077 /nfs/dbraw/zinc/43/40/77/568434077.db2.gz PIIOCFNCGFZODF-DJPFJPOOSA-N 1 2 408.527 3.552 50 0 HHAALO CC(C)c1nnc(C2CC[NH+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000049377170 568447221 /nfs/dbraw/zinc/44/72/21/568447221.db2.gz COYAWFCZZFCDRS-UHFFFAOYSA-N 1 2 412.412 3.910 50 0 HHAALO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000049403399 568448344 /nfs/dbraw/zinc/44/83/44/568448344.db2.gz DCXVOMAFAOHIQW-UHFFFAOYSA-N 1 2 410.449 3.702 50 0 HHAALO C[C@H](NC(=O)c1ccncc1)[C@@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020288702 568597837 /nfs/dbraw/zinc/59/78/37/568597837.db2.gz CXPFBDGNSOFFAZ-CVDCTZTESA-N 1 2 420.582 3.821 50 0 HHAALO CC[NH+]1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000020381961 568602675 /nfs/dbraw/zinc/60/26/75/568602675.db2.gz PAWVALLCFIHQRL-UHFFFAOYSA-N 1 2 409.555 3.826 50 0 HHAALO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000095446730 568612301 /nfs/dbraw/zinc/61/23/01/568612301.db2.gz HLVKYSISEYLEGA-GOSISDBHSA-N 1 2 405.546 3.831 50 0 HHAALO COc1cccc(SCC(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000095456445 568617714 /nfs/dbraw/zinc/61/77/14/568617714.db2.gz FWMBVHGYDNROOO-UHFFFAOYSA-N 1 2 407.539 3.811 50 0 HHAALO O=C(Nc1nccs1)[C@H]1CCCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)C1 ZINC000096124058 568700476 /nfs/dbraw/zinc/70/04/76/568700476.db2.gz HTWKLBHNTNLVQQ-INIZCTEOSA-N 1 2 404.499 3.732 50 0 HHAALO C[C@H](NCc1c[nH+]c2ccc(Br)cn12)c1noc(Cc2ccccc2)n1 ZINC000242140881 568732303 /nfs/dbraw/zinc/73/23/03/568732303.db2.gz WQBYQDNFELPZCU-ZDUSSCGKSA-N 1 2 412.291 3.921 50 0 HHAALO O=C(N[C@H](NCC[NH+]1CCCCC1)C(Cl)(Cl)Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000096346157 568737612 /nfs/dbraw/zinc/73/76/12/568737612.db2.gz NGJOOEHAMYQXBM-JZXOWHBKSA-N 1 2 418.796 3.678 50 0 HHAALO COc1cccc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000021724141 568751061 /nfs/dbraw/zinc/75/10/61/568751061.db2.gz HFMKDHKDIVWBQJ-UHFFFAOYSA-N 1 2 410.449 3.735 50 0 HHAALO CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(CC)CC2)cc1 ZINC000022460164 568768406 /nfs/dbraw/zinc/76/84/06/568768406.db2.gz YAMIJFKDDSLKMU-UTKZUKDTSA-N 1 2 401.576 3.644 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1 ZINC000052537510 568769783 /nfs/dbraw/zinc/76/97/83/568769783.db2.gz SAEMEJXJPBESQO-UHFFFAOYSA-N 1 2 408.727 3.863 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2cccc(OC)c2OC)c1C ZINC000056851576 568819165 /nfs/dbraw/zinc/81/91/65/568819165.db2.gz JYLLRXIQXJZUMB-HNNXBMFYSA-N 1 2 402.491 3.529 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(OC)c2OC)c1C ZINC000056851576 568819167 /nfs/dbraw/zinc/81/91/67/568819167.db2.gz JYLLRXIQXJZUMB-HNNXBMFYSA-N 1 2 402.491 3.529 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1c(F)cccc1F ZINC000056945210 568821581 /nfs/dbraw/zinc/82/15/81/568821581.db2.gz SKQZNPZZXNFNOU-HXUWFJFHSA-N 1 2 411.452 3.851 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3ccccc3)co2)CC1 ZINC000056949854 568821922 /nfs/dbraw/zinc/82/19/22/568821922.db2.gz XLYLQWNVVNHZPH-UHFFFAOYSA-N 1 2 406.482 3.550 50 0 HHAALO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)occ1OCc1ccc(F)cc1 ZINC000056949957 568822147 /nfs/dbraw/zinc/82/21/47/568822147.db2.gz RYXWBGGBQFAIBB-UHFFFAOYSA-N 1 2 412.436 3.819 50 0 HHAALO COc1cccc([C@@H](NC(=O)NCCOc2ccc(C)cc2C)c2[nH+]ccn2C)c1 ZINC000029724170 568828772 /nfs/dbraw/zinc/82/87/72/568828772.db2.gz JNOYGOROHYIABA-OAQYLSRUSA-N 1 2 408.502 3.513 50 0 HHAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCN(c3ncccn3)CC2)cc1Cl ZINC000057406301 568832678 /nfs/dbraw/zinc/83/26/78/568832678.db2.gz XLVBNOYKRJVVQM-NRFANRHFSA-N 1 2 421.932 3.940 50 0 HHAALO CCc1ccc([C@@H]2NC(=O)NC(C[N@H+](CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415152 568833712 /nfs/dbraw/zinc/83/37/12/568833712.db2.gz DZWDAOIHVIIFLB-QFIPXVFZSA-N 1 2 407.514 3.552 50 0 HHAALO CCc1ccc([C@@H]2NC(=O)NC(C[N@@H+](CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415152 568833713 /nfs/dbraw/zinc/83/37/13/568833713.db2.gz DZWDAOIHVIIFLB-QFIPXVFZSA-N 1 2 407.514 3.552 50 0 HHAALO Cc1ccc2[nH+]c(CN3C(=O)NC(Cc4ccccc4)(Cc4ccccc4)C3=O)cn2c1 ZINC000012507065 568839407 /nfs/dbraw/zinc/83/94/07/568839407.db2.gz BGYOTTDACZPOSH-UHFFFAOYSA-N 1 2 424.504 3.919 50 0 HHAALO CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000012526400 568843251 /nfs/dbraw/zinc/84/32/51/568843251.db2.gz SWJFBSHCBRNMRN-UHFFFAOYSA-N 1 2 422.576 3.533 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1 ZINC000012548219 568851175 /nfs/dbraw/zinc/85/11/75/568851175.db2.gz IMVUKBGQHURVAI-OAQYLSRUSA-N 1 2 422.916 3.715 50 0 HHAALO C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012549760 568852292 /nfs/dbraw/zinc/85/22/92/568852292.db2.gz CVMWXAIDCNWPCO-CYBMUJFWSA-N 1 2 406.305 3.674 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000012550147 568852367 /nfs/dbraw/zinc/85/23/67/568852367.db2.gz BZTQLGHUXXUZBP-SFHVURJKSA-N 1 2 418.266 3.606 50 0 HHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1F ZINC000008309082 568988426 /nfs/dbraw/zinc/98/84/26/568988426.db2.gz FAYANFIXRBVWKH-UHFFFAOYSA-N 1 2 413.493 3.577 50 0 HHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1F ZINC000008309082 568988429 /nfs/dbraw/zinc/98/84/29/568988429.db2.gz FAYANFIXRBVWKH-UHFFFAOYSA-N 1 2 413.493 3.577 50 0 HHAALO O=C(COc1cc(Cl)ccc1Cl)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000012928278 569024149 /nfs/dbraw/zinc/02/41/49/569024149.db2.gz HYUGAAXQOXVDSG-GOSISDBHSA-N 1 2 409.313 3.562 50 0 HHAALO CC(C)c1ccc(C[N@H+](C)Cn2nc(-c3cccs3)n(CC(N)=O)c2=S)cc1 ZINC000012944560 569028903 /nfs/dbraw/zinc/02/89/03/569028903.db2.gz QPUSDMYYQZBNMY-UHFFFAOYSA-N 1 2 415.588 3.841 50 0 HHAALO CC(C)c1ccc(C[N@@H+](C)Cn2nc(-c3cccs3)n(CC(N)=O)c2=S)cc1 ZINC000012944560 569028904 /nfs/dbraw/zinc/02/89/04/569028904.db2.gz QPUSDMYYQZBNMY-UHFFFAOYSA-N 1 2 415.588 3.841 50 0 HHAALO Cc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000012945313 569029050 /nfs/dbraw/zinc/02/90/50/569029050.db2.gz QNTCGBOKAQLHBW-UHFFFAOYSA-N 1 2 424.932 3.975 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)c1ccccc1 ZINC000035404469 569035748 /nfs/dbraw/zinc/03/57/48/569035748.db2.gz JLNZZSUKZSJVRS-SFHVURJKSA-N 1 2 404.489 3.978 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)c1ccccc1 ZINC000035404469 569035749 /nfs/dbraw/zinc/03/57/49/569035749.db2.gz JLNZZSUKZSJVRS-SFHVURJKSA-N 1 2 404.489 3.978 50 0 HHAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609169 569042434 /nfs/dbraw/zinc/04/24/34/569042434.db2.gz HIRVRZAGIPSHNV-AWEZNQCLSA-N 1 2 404.363 3.665 50 0 HHAALO CC(C)[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Cl)cc1 ZINC000012981614 569047251 /nfs/dbraw/zinc/04/72/51/569047251.db2.gz YLQSLSLVVUVXNL-LJQANCHMSA-N 1 2 402.926 3.768 50 0 HHAALO CC(C)[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Cl)cc1 ZINC000012981616 569047275 /nfs/dbraw/zinc/04/72/75/569047275.db2.gz YLQSLSLVVUVXNL-IBGZPJMESA-N 1 2 402.926 3.768 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000013013094 569050686 /nfs/dbraw/zinc/05/06/86/569050686.db2.gz KUJWIIDJLVSNAP-HXUWFJFHSA-N 1 2 424.932 3.744 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246777 569055375 /nfs/dbraw/zinc/05/53/75/569055375.db2.gz NHLQGJFFVXWCMB-JLGINSKQSA-N 1 2 401.441 3.596 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246777 569055376 /nfs/dbraw/zinc/05/53/76/569055376.db2.gz NHLQGJFFVXWCMB-JLGINSKQSA-N 1 2 401.441 3.596 50 0 HHAALO NC(=O)c1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)sc2c1CCC2 ZINC000006566343 569066288 /nfs/dbraw/zinc/06/62/88/569066288.db2.gz ZLCKAZAPZXLNNO-UHFFFAOYSA-N 1 2 419.550 3.977 50 0 HHAALO CCN(Cc1ccccn1)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426401695 569072738 /nfs/dbraw/zinc/07/27/38/569072738.db2.gz GRZSZBAOBIMFFN-UHFFFAOYSA-N 1 2 410.543 3.969 50 0 HHAALO CCN(Cc1ccccn1)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426401695 569072739 /nfs/dbraw/zinc/07/27/39/569072739.db2.gz GRZSZBAOBIMFFN-UHFFFAOYSA-N 1 2 410.543 3.969 50 0 HHAALO CCN(C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)C1CCOCC1 ZINC000426406350 569072767 /nfs/dbraw/zinc/07/27/67/569072767.db2.gz XACOSOCAENBHOE-UHFFFAOYSA-N 1 2 403.548 3.552 50 0 HHAALO CCN(C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)C1CCOCC1 ZINC000426406350 569072768 /nfs/dbraw/zinc/07/27/68/569072768.db2.gz XACOSOCAENBHOE-UHFFFAOYSA-N 1 2 403.548 3.552 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)Cc3cccnc3)csc2C1 ZINC000426528116 569073320 /nfs/dbraw/zinc/07/33/20/569073320.db2.gz WFBILZKXVHVMSU-AWEZNQCLSA-N 1 2 410.543 3.667 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)Cc3cccnc3)csc2C1 ZINC000426528116 569073321 /nfs/dbraw/zinc/07/33/21/569073321.db2.gz WFBILZKXVHVMSU-AWEZNQCLSA-N 1 2 410.543 3.667 50 0 HHAALO CC[C@@H](C)CN1C(=O)[C@@H](CC(C)C)[NH2+]C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000036032680 569079997 /nfs/dbraw/zinc/07/99/97/569079997.db2.gz JDLLLHPYHJAYIY-WIYYLYMNSA-N 1 2 415.578 3.520 50 0 HHAALO Cc1cc(C)n(CCc2[nH+]c3cc(NC(=O)COc4ccc(C)cc4)ccc3n2C)n1 ZINC000006665302 569085996 /nfs/dbraw/zinc/08/59/96/569085996.db2.gz GDSKOTPKUARPME-UHFFFAOYSA-N 1 2 417.513 3.955 50 0 HHAALO CC(C)CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036254570 569120042 /nfs/dbraw/zinc/12/00/42/569120042.db2.gz JXVUCYVWJKVWCI-NRFANRHFSA-N 1 2 419.997 3.819 50 0 HHAALO CC(C)(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccc2F)C2CCCC2)CC1 ZINC000036255463 569120180 /nfs/dbraw/zinc/12/01/80/569120180.db2.gz DWSYEHKFVHMYEN-QFIPXVFZSA-N 1 2 417.569 3.581 50 0 HHAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCC[C@H](C)C4)[nH+]cn3)cn2)cc1 ZINC000065239929 569203666 /nfs/dbraw/zinc/20/36/66/569203666.db2.gz FUPFZFRZBDRPNP-INIZCTEOSA-N 1 2 406.490 3.550 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1 ZINC000065250083 569206046 /nfs/dbraw/zinc/20/60/46/569206046.db2.gz SMQATQPNWJNPES-LJQANCHMSA-N 1 2 412.440 3.858 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1 ZINC000065250083 569206047 /nfs/dbraw/zinc/20/60/47/569206047.db2.gz SMQATQPNWJNPES-LJQANCHMSA-N 1 2 412.440 3.858 50 0 HHAALO COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)cn1 ZINC000065260091 569211078 /nfs/dbraw/zinc/21/10/78/569211078.db2.gz NAFUSYFCRVQFDF-QHCPKHFHSA-N 1 2 407.518 3.609 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccc(Cl)cc3)CC2)nc[nH+]1 ZINC000065274031 569214942 /nfs/dbraw/zinc/21/49/42/569214942.db2.gz NZTVYIMSZGEDJC-UHFFFAOYSA-N 1 2 401.942 3.875 50 0 HHAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccc(Cl)cc3)CC2)[nH+]cn1 ZINC000065274031 569214943 /nfs/dbraw/zinc/21/49/43/569214943.db2.gz NZTVYIMSZGEDJC-UHFFFAOYSA-N 1 2 401.942 3.875 50 0 HHAALO Cc1nc(Nc2ccc(Br)cn2)sc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000065306332 569220529 /nfs/dbraw/zinc/22/05/29/569220529.db2.gz MOQRZWOAALDJIC-UHFFFAOYSA-N 1 2 424.368 3.519 50 0 HHAALO O=C(C[NH+]1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)Nc1nccs1 ZINC000036708937 569223835 /nfs/dbraw/zinc/22/38/35/569223835.db2.gz NTWLZRSZRXCTQO-UHFFFAOYSA-N 1 2 423.464 3.862 50 0 HHAALO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cnc(-c3ccc(Cl)s3)s2)no1 ZINC000065433601 569229979 /nfs/dbraw/zinc/22/99/79/569229979.db2.gz HLEXCWLPZNIHER-UHFFFAOYSA-N 1 2 411.940 3.635 50 0 HHAALO CN(Cc1nc2ccccc2s1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000007362337 569235533 /nfs/dbraw/zinc/23/55/33/569235533.db2.gz ZJJVADYWZGSWJU-SFHVURJKSA-N 1 2 423.538 3.863 50 0 HHAALO CN(Cc1nc2ccccc2s1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000007362337 569235535 /nfs/dbraw/zinc/23/55/35/569235535.db2.gz ZJJVADYWZGSWJU-SFHVURJKSA-N 1 2 423.538 3.863 50 0 HHAALO Cc1cccc(C(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)c1 ZINC000017122725 569275232 /nfs/dbraw/zinc/27/52/32/569275232.db2.gz NCHHBKIWZKZTGJ-UHFFFAOYSA-N 1 2 403.486 3.926 50 0 HHAALO CCc1cc2c3c(c1)C(C[NH+]1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000253495856 569381858 /nfs/dbraw/zinc/38/18/58/569381858.db2.gz SYMMZZAGZBJEQQ-UHFFFAOYSA-N 1 2 415.537 3.776 50 0 HHAALO Cc1cc(C)cc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=S)c1 ZINC000009109236 569391517 /nfs/dbraw/zinc/39/15/17/569391517.db2.gz DFRAKKUHVVGWDS-FQEVSTJZSA-N 1 2 418.522 3.934 50 0 biogenic HHAALO COc1cc(/C=C/C(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1OC(C)C ZINC000012751558 569403087 /nfs/dbraw/zinc/40/30/87/569403087.db2.gz XVKIXAORGDECOE-VQHVLOKHSA-N 1 2 400.544 3.902 50 0 HHAALO CCOc1ccc(CC(=O)N2CC[NH+](Cc3noc4ccccc34)CC2)cc1OCC ZINC000013346106 569410671 /nfs/dbraw/zinc/41/06/71/569410671.db2.gz QFTFIPUXHYWVJC-UHFFFAOYSA-N 1 2 423.513 3.512 50 0 HHAALO CC(C)(C)NS(=O)(=O)c1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1F ZINC000328593558 569415490 /nfs/dbraw/zinc/41/54/90/569415490.db2.gz ITQLFAJLBHIWMM-UHFFFAOYSA-N 1 2 406.527 3.510 50 0 HHAALO COc1cccc(N2CC[NH+](CC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)c1 ZINC000039990547 571136633 /nfs/dbraw/zinc/13/66/33/571136633.db2.gz FXNWAKQYJBSFNW-XMMPIXPASA-N 1 2 421.566 3.785 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1nc(-c2ccco2)sc1C)c1[nH+]ccn1C ZINC000040062745 571147712 /nfs/dbraw/zinc/14/77/12/571147712.db2.gz ZYNFOHWTSDJVBO-GOSISDBHSA-N 1 2 408.483 3.973 50 0 HHAALO COc1cccc(NC(=O)C[NH+](CCC(C)C)CC(=O)Nc2cccc(OC)c2)c1 ZINC000008993811 571207995 /nfs/dbraw/zinc/20/79/95/571207995.db2.gz PWVHGUZECLTSQI-UHFFFAOYSA-N 1 2 413.518 3.629 50 0 HHAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000245238139 571219479 /nfs/dbraw/zinc/21/94/79/571219479.db2.gz YDKOSFYREXZQGA-CLOONOSVSA-N 1 2 419.569 3.648 50 0 HHAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000245238139 571219482 /nfs/dbraw/zinc/21/94/82/571219482.db2.gz YDKOSFYREXZQGA-CLOONOSVSA-N 1 2 419.569 3.648 50 0 HHAALO COc1cc(OC)c(OC)cc1CNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000009479273 571261926 /nfs/dbraw/zinc/26/19/26/571261926.db2.gz JCZVTYDDTVBBQB-UHFFFAOYSA-N 1 2 409.421 3.593 50 0 HHAALO C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000009679949 571279220 /nfs/dbraw/zinc/27/92/20/571279220.db2.gz ZWXYLCCYKLQFJY-OAQYLSRUSA-N 1 2 420.900 3.796 50 0 HHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1I ZINC000010092715 571294819 /nfs/dbraw/zinc/29/48/19/571294819.db2.gz WYTOXPWXKQDFNF-UHFFFAOYSA-N 1 2 412.296 3.658 50 0 HHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1I ZINC000010092715 571294820 /nfs/dbraw/zinc/29/48/20/571294820.db2.gz WYTOXPWXKQDFNF-UHFFFAOYSA-N 1 2 412.296 3.658 50 0 HHAALO CCOC(=O)c1sc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1C ZINC000010140302 571295481 /nfs/dbraw/zinc/29/54/81/571295481.db2.gz CIKFXVSFROZRBI-UHFFFAOYSA-N 1 2 412.458 3.905 50 0 HHAALO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1C ZINC000010140302 571295482 /nfs/dbraw/zinc/29/54/82/571295482.db2.gz CIKFXVSFROZRBI-UHFFFAOYSA-N 1 2 412.458 3.905 50 0 HHAALO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-n3cccc3)nc[nH+]2)CC1 ZINC000077101391 571311615 /nfs/dbraw/zinc/31/16/15/571311615.db2.gz DDSLEQNNJCZRSJ-UHFFFAOYSA-N 1 2 402.285 3.537 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc(C2CC2)on1 ZINC000077200635 571313009 /nfs/dbraw/zinc/31/30/09/571313009.db2.gz UUCLZMUSOUUDMH-FQEVSTJZSA-N 1 2 424.476 3.577 50 0 HHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 ZINC000011934796 962210508 /nfs/dbraw/zinc/21/05/08/962210508.db2.gz SQQAOBPPPWUNQG-GOSISDBHSA-N 1 2 406.534 3.645 50 0 HHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n[nH]1 ZINC000011934796 962210522 /nfs/dbraw/zinc/21/05/22/962210522.db2.gz SQQAOBPPPWUNQG-GOSISDBHSA-N 1 2 406.534 3.645 50 0 HHAALO C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012218715 962256195 /nfs/dbraw/zinc/25/61/95/962256195.db2.gz OPWYJCANLDKKDT-INIZCTEOSA-N 1 2 424.570 3.789 50 0 HHAALO C[C@@H](CNC(=O)c1[nH]nc2c1CCC2)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012218715 962256210 /nfs/dbraw/zinc/25/62/10/962256210.db2.gz OPWYJCANLDKKDT-INIZCTEOSA-N 1 2 424.570 3.789 50 0 HHAALO CC(=O)N1CCCN(c2nc(C[N@@H+](C)[C@H](C)c3cccs3)nc3ccccc32)CC1 ZINC000014987567 962618832 /nfs/dbraw/zinc/61/88/32/962618832.db2.gz SYHJJSZMGAIFOV-QGZVFWFLSA-N 1 2 423.586 3.943 50 0 HHAALO CC(=O)N1CCCN(c2nc(C[N@H+](C)[C@H](C)c3cccs3)nc3ccccc32)CC1 ZINC000014987567 962618847 /nfs/dbraw/zinc/61/88/47/962618847.db2.gz SYHJJSZMGAIFOV-QGZVFWFLSA-N 1 2 423.586 3.943 50 0 HHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000022772280 963712811 /nfs/dbraw/zinc/71/28/11/963712811.db2.gz YKNSGSHSEHZAPZ-RMKNXTFCSA-N 1 2 404.558 3.556 50 0 HHAALO O=C(/C=C/c1ccc(Br)o1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536643 969045366 /nfs/dbraw/zinc/04/53/66/969045366.db2.gz ZJZJRZJJXUFDTD-RGSRAZRCSA-N 1 2 401.304 3.913 50 0 HHAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104374979 969201365 /nfs/dbraw/zinc/20/13/65/969201365.db2.gz FMCQCQCOAYGEEY-HSZRJFAPSA-N 1 2 405.542 3.702 50 0 HHAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104374979 969201366 /nfs/dbraw/zinc/20/13/66/969201366.db2.gz FMCQCQCOAYGEEY-HSZRJFAPSA-N 1 2 405.542 3.702 50 0 HHAALO Cc1nnc([C@@H]2CC3(C[N@@H+]2Cc2cccnc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189832 970623876 /nfs/dbraw/zinc/62/38/76/970623876.db2.gz KCAOKVTXZMWICU-NRFANRHFSA-N 1 2 417.513 3.643 50 0 HHAALO Cc1nnc([C@@H]2CC3(C[N@H+]2Cc2cccnc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189832 970623880 /nfs/dbraw/zinc/62/38/80/970623880.db2.gz KCAOKVTXZMWICU-NRFANRHFSA-N 1 2 417.513 3.643 50 0 HHAALO CCN(CC)C(=O)C1CCN(c2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)CC1 ZINC000002376902 132253690 /nfs/dbraw/zinc/25/36/90/132253690.db2.gz NYSOFBDAYABUHG-UHFFFAOYSA-N 1 2 406.534 3.517 50 0 HHAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 ZINC000006923510 132320888 /nfs/dbraw/zinc/32/08/88/132320888.db2.gz ZATMFGWBTAXNRC-FQEVSTJZSA-N 1 2 422.554 3.909 50 0 HHAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCOCC2)cc1 ZINC000006923510 132320890 /nfs/dbraw/zinc/32/08/90/132320890.db2.gz ZATMFGWBTAXNRC-FQEVSTJZSA-N 1 2 422.554 3.909 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C[N@@H+](C)Cc3ccc(Br)s3)CC2)c1 ZINC000010055756 132344871 /nfs/dbraw/zinc/34/48/71/132344871.db2.gz CGPWXWQYBBQWHV-UHFFFAOYSA-N 1 2 422.392 3.600 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C[N@H+](C)Cc3ccc(Br)s3)CC2)c1 ZINC000010055756 132344873 /nfs/dbraw/zinc/34/48/73/132344873.db2.gz CGPWXWQYBBQWHV-UHFFFAOYSA-N 1 2 422.392 3.600 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012786527 132367246 /nfs/dbraw/zinc/36/72/46/132367246.db2.gz DVQWLMMIWYTBTA-FQEVSTJZSA-N 1 2 409.578 3.525 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(F)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012873976 132368056 /nfs/dbraw/zinc/36/80/56/132368056.db2.gz UIEPKSNTZQQWNA-OAHLLOKOSA-N 1 2 419.932 3.850 50 0 HHAALO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557932 520508805 /nfs/dbraw/zinc/50/88/05/520508805.db2.gz VVTIHSIMEIVWEJ-NRFANRHFSA-N 1 2 411.477 3.519 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557932 520508812 /nfs/dbraw/zinc/50/88/12/520508812.db2.gz VVTIHSIMEIVWEJ-NRFANRHFSA-N 1 2 411.477 3.519 50 0 HHAALO CC[N@H+](CCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000032795518 521015482 /nfs/dbraw/zinc/01/54/82/521015482.db2.gz XEUQTAARLBQNDO-UHFFFAOYSA-N 1 2 408.546 3.637 50 0 HHAALO CC[N@@H+](CCCNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000032795518 521015488 /nfs/dbraw/zinc/01/54/88/521015488.db2.gz XEUQTAARLBQNDO-UHFFFAOYSA-N 1 2 408.546 3.637 50 0 HHAALO Cc1cc(S(=O)(=O)NCC2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1Cl ZINC000043955346 525407458 /nfs/dbraw/zinc/40/74/58/525407458.db2.gz LYRNCFNXPVYJSB-UHFFFAOYSA-N 1 2 414.358 3.892 50 0 HHAALO O=C(CCNC(=O)c1cccs1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031894917 526508481 /nfs/dbraw/zinc/50/84/81/526508481.db2.gz CEZDTCRCZCUXFX-MRXNPFEDSA-N 1 2 423.941 3.614 50 0 HHAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(OC)cc2)CC1 ZINC000035769041 534961150 /nfs/dbraw/zinc/96/11/50/534961150.db2.gz HIHNGRWRRMDWCC-UHFFFAOYSA-N 1 2 410.562 3.922 50 0 HHAALO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1N1CCOCC1 ZINC000012515282 536175062 /nfs/dbraw/zinc/17/50/62/536175062.db2.gz JSZRMGYLYREDNM-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1N1CCOCC1 ZINC000012515282 536175068 /nfs/dbraw/zinc/17/50/68/536175068.db2.gz JSZRMGYLYREDNM-UHFFFAOYSA-N 1 2 408.329 3.901 50 0 HHAALO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022766779 557814737 /nfs/dbraw/zinc/81/47/37/557814737.db2.gz BKODGGDRFIMNGA-OAQYLSRUSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1 ZINC000022766779 557814740 /nfs/dbraw/zinc/81/47/40/557814740.db2.gz BKODGGDRFIMNGA-OAQYLSRUSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000009060447 557821224 /nfs/dbraw/zinc/82/12/24/557821224.db2.gz WXRPAOCTKMQIHF-WBVHZDCISA-N 1 2 418.423 3.560 50 0 HHAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907337 557851675 /nfs/dbraw/zinc/85/16/75/557851675.db2.gz GLXJHUWGLJYZDZ-JOCHJYFZSA-N 1 2 421.541 3.502 50 0 HHAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907337 557851677 /nfs/dbraw/zinc/85/16/77/557851677.db2.gz GLXJHUWGLJYZDZ-JOCHJYFZSA-N 1 2 421.541 3.502 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000011664768 558268373 /nfs/dbraw/zinc/26/83/73/558268373.db2.gz NLDSWOKXSZEOLV-SFHVURJKSA-N 1 2 404.417 3.573 50 0 HHAALO Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[N@@H+](C)Cc2ccncc2)cc1C ZINC000011667803 558269536 /nfs/dbraw/zinc/26/95/36/558269536.db2.gz DXPPOKPVHLWFJP-QFIPXVFZSA-N 1 2 403.530 3.510 50 0 HHAALO Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)C[N@H+](C)Cc2ccncc2)cc1C ZINC000011667803 558269537 /nfs/dbraw/zinc/26/95/37/558269537.db2.gz DXPPOKPVHLWFJP-QFIPXVFZSA-N 1 2 403.530 3.510 50 0 HHAALO COc1cccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)c1OC ZINC000019781798 558281113 /nfs/dbraw/zinc/28/11/13/558281113.db2.gz FABUNCRPUMHTPR-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO O=C1C[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019809344 558286457 /nfs/dbraw/zinc/28/64/57/558286457.db2.gz IVXBBNSPOVILQE-SFHVURJKSA-N 1 2 419.308 3.609 50 0 HHAALO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000011932996 558297864 /nfs/dbraw/zinc/29/78/64/558297864.db2.gz LQNXFVLCQOIWBD-UHFFFAOYSA-N 1 2 401.869 3.937 50 0 HHAALO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973435 558316540 /nfs/dbraw/zinc/31/65/40/558316540.db2.gz CXMUAPSVBQJHEF-HNNXBMFYSA-N 1 2 418.946 3.894 50 0 HHAALO Cn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012306418 558375358 /nfs/dbraw/zinc/37/53/58/558375358.db2.gz MXSBOFOWMPQXFN-OAQYLSRUSA-N 1 2 400.486 3.581 50 0 HHAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000012387722 558396653 /nfs/dbraw/zinc/39/66/53/558396653.db2.gz IFRWFYZAUSFWAK-QFIPXVFZSA-N 1 2 407.470 3.952 50 0 HHAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(CO)o1 ZINC000012387722 558396655 /nfs/dbraw/zinc/39/66/55/558396655.db2.gz IFRWFYZAUSFWAK-QFIPXVFZSA-N 1 2 407.470 3.952 50 0 HHAALO O=C(CS[C@@H]1CCc2ccccc2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020730255 558406161 /nfs/dbraw/zinc/40/61/61/558406161.db2.gz KXWODQUFHKBJMF-OAQYLSRUSA-N 1 2 409.555 3.667 50 0 HHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021317786 558435708 /nfs/dbraw/zinc/43/57/08/558435708.db2.gz OMRPTXZNALNJBG-YVEFUNNKSA-N 1 2 423.460 3.974 50 0 HHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000021317786 558435709 /nfs/dbraw/zinc/43/57/09/558435709.db2.gz OMRPTXZNALNJBG-YVEFUNNKSA-N 1 2 423.460 3.974 50 0 HHAALO Cc1ccc(-c2c(C(F)(F)F)nn3c2nc(C)cc3NCC[NH+]2CCOCC2)cc1 ZINC000021799406 558450071 /nfs/dbraw/zinc/45/00/71/558450071.db2.gz DPSOCSFBBMCQGV-UHFFFAOYSA-N 1 2 419.451 3.776 50 0 HHAALO Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000022132273 558464177 /nfs/dbraw/zinc/46/41/77/558464177.db2.gz ZNOUMZSQKAGRSF-SFHVURJKSA-N 1 2 422.554 3.870 50 0 HHAALO COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022229405 558468392 /nfs/dbraw/zinc/46/83/92/558468392.db2.gz XBEVPQNBXIAGSP-UHFFFAOYSA-N 1 2 402.560 3.634 50 0 HHAALO COc1cc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc(OC)c1 ZINC000022801263 558512989 /nfs/dbraw/zinc/51/29/89/558512989.db2.gz RLLYRULUOYLMPU-AWEZNQCLSA-N 1 2 423.966 3.564 50 0 HHAALO Fc1cccc(C[NH+]2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)c1 ZINC000022923544 558522932 /nfs/dbraw/zinc/52/29/32/558522932.db2.gz UOFYRPQKAARVLB-UHFFFAOYSA-N 1 2 411.502 3.996 50 0 HHAALO Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCOCC2)cc1 ZINC000023105815 558534351 /nfs/dbraw/zinc/53/43/51/558534351.db2.gz NUVWSTFTUGWJGS-IBGZPJMESA-N 1 2 403.320 3.561 50 0 HHAALO O=C1c2ccccc2[C@H](NCCC[NH+]2CCOCC2)N1[C@H]1CCCc2ccccc21 ZINC000023504882 558560212 /nfs/dbraw/zinc/56/02/12/558560212.db2.gz ZCEQVZRJMTYIAP-BJKOFHAPSA-N 1 2 405.542 3.531 50 0 HHAALO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023667954 558566681 /nfs/dbraw/zinc/56/66/81/558566681.db2.gz RSBVMZWNKLCRKU-CYBMUJFWSA-N 1 2 409.864 3.674 50 0 HHAALO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023667954 558566682 /nfs/dbraw/zinc/56/66/82/558566682.db2.gz RSBVMZWNKLCRKU-CYBMUJFWSA-N 1 2 409.864 3.674 50 0 HHAALO COC(=O)c1ccoc1C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023672156 558566784 /nfs/dbraw/zinc/56/67/84/558566784.db2.gz WVVSLJHFFWMBFT-UHFFFAOYSA-N 1 2 417.815 3.846 50 0 HHAALO COC(=O)c1ccoc1C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023672156 558566788 /nfs/dbraw/zinc/56/67/88/558566788.db2.gz WVVSLJHFFWMBFT-UHFFFAOYSA-N 1 2 417.815 3.846 50 0 HHAALO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCc1cn2ccccc2[nH+]1 ZINC000023754430 558574035 /nfs/dbraw/zinc/57/40/35/558574035.db2.gz HYPGPNLYMGTRQO-UHFFFAOYSA-N 1 2 400.442 3.850 50 0 HHAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023936782 558581895 /nfs/dbraw/zinc/58/18/95/558581895.db2.gz NSCRMHWHGBMGRC-FXAWDEMLSA-N 1 2 423.563 3.878 50 0 HHAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023936782 558581898 /nfs/dbraw/zinc/58/18/98/558581898.db2.gz NSCRMHWHGBMGRC-FXAWDEMLSA-N 1 2 423.563 3.878 50 0 HHAALO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023995586 558584282 /nfs/dbraw/zinc/58/42/82/558584282.db2.gz PEPYWPSHPWDTPI-UHFFFAOYSA-N 1 2 403.526 3.770 50 0 HHAALO Cc1cccc(NC(=O)CN(C)C(=O)CCSCc2cn3ccccc3[nH+]2)c1C ZINC000024742578 558609218 /nfs/dbraw/zinc/60/92/18/558609218.db2.gz UHMLUHMEOHFKHH-UHFFFAOYSA-N 1 2 410.543 3.672 50 0 HHAALO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014068783 558617085 /nfs/dbraw/zinc/61/70/85/558617085.db2.gz HFHKAIIJHXSMOP-HSZRJFAPSA-N 1 2 423.557 3.610 50 0 HHAALO Cc1nc(-c2ccc(CNC(=O)c3ccc(C[NH+]4CCOCC4)cc3)s2)cs1 ZINC000014183790 558629392 /nfs/dbraw/zinc/62/93/92/558629392.db2.gz HXPRCSOYEQOAMA-UHFFFAOYSA-N 1 2 413.568 3.942 50 0 HHAALO O=C(c1cc(-c2cccc3ccccc32)nc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000025337172 558638914 /nfs/dbraw/zinc/63/89/14/558638914.db2.gz OWHKFOYTMUPSMU-UHFFFAOYSA-N 1 2 411.505 3.805 50 0 HHAALO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 ZINC000025390316 558639757 /nfs/dbraw/zinc/63/97/57/558639757.db2.gz FSCVFQCSFJLGTL-GJZGRUSLSA-N 1 2 424.442 3.627 50 0 HHAALO COc1cccc([C@H](NC(=O)N[C@H](C)c2cc(C)ccc2OC)c2[nH+]ccn2C)c1 ZINC000029332488 558713890 /nfs/dbraw/zinc/71/38/90/558713890.db2.gz PBPSCTHOWZCVBQ-IERDGZPVSA-N 1 2 408.502 3.896 50 0 HHAALO Fc1ccc(OCc2noc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC000029344801 558713937 /nfs/dbraw/zinc/71/39/37/558713937.db2.gz XQAQFXXWJDJPBZ-UHFFFAOYSA-N 1 2 416.884 3.759 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)[C@@H](c2ccccc2)C1 ZINC000030030676 558726637 /nfs/dbraw/zinc/72/66/37/558726637.db2.gz PQZMVUJLTZLQDG-HSZRJFAPSA-N 1 2 411.509 3.609 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)[C@@H](c2ccccc2)C1 ZINC000030030676 558726640 /nfs/dbraw/zinc/72/66/40/558726640.db2.gz PQZMVUJLTZLQDG-HSZRJFAPSA-N 1 2 411.509 3.609 50 0 HHAALO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000030219756 558728164 /nfs/dbraw/zinc/72/81/64/558728164.db2.gz FFJIPQXDRIHSAM-AWEZNQCLSA-N 1 2 421.444 3.584 50 0 HHAALO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000030219756 558728165 /nfs/dbraw/zinc/72/81/65/558728165.db2.gz FFJIPQXDRIHSAM-AWEZNQCLSA-N 1 2 421.444 3.584 50 0 HHAALO O=C(COc1ccc(Oc2ccccn2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000030523220 558731584 /nfs/dbraw/zinc/73/15/84/558731584.db2.gz AGJYDSPVSAKDPR-UHFFFAOYSA-N 1 2 409.511 3.659 50 0 HHAALO Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CC(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000072308649 558769865 /nfs/dbraw/zinc/76/98/65/558769865.db2.gz WAYSFUNZUFWMOJ-FQEVSTJZSA-N 1 2 418.497 3.567 50 0 HHAALO Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CC(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000072308649 558769868 /nfs/dbraw/zinc/76/98/68/558769868.db2.gz WAYSFUNZUFWMOJ-FQEVSTJZSA-N 1 2 418.497 3.567 50 0 HHAALO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2nncc3ccccc32)CC1)c1ccccc1 ZINC000072308383 558770466 /nfs/dbraw/zinc/77/04/66/558770466.db2.gz BNNIEAKQEISTSH-CVDCTZTESA-N 1 2 417.557 3.798 50 0 HHAALO COC(=O)[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000035900515 558795849 /nfs/dbraw/zinc/79/58/49/558795849.db2.gz LHFPKCSLFHZBJD-SFHVURJKSA-N 1 2 407.297 3.922 50 0 HHAALO COC(=O)[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000035900515 558795851 /nfs/dbraw/zinc/79/58/51/558795851.db2.gz LHFPKCSLFHZBJD-SFHVURJKSA-N 1 2 407.297 3.922 50 0 HHAALO O=C(Nc1ccccc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccco1 ZINC000033002344 558826879 /nfs/dbraw/zinc/82/68/79/558826879.db2.gz IXLINWHEEHYJSU-UHFFFAOYSA-N 1 2 400.438 3.707 50 0 HHAALO Cc1ccc2[nH]cc(CCNC(=O)C3CCN(c4[nH]c5ccccc5[nH+]4)CC3)c2c1 ZINC000033070986 558866375 /nfs/dbraw/zinc/86/63/75/558866375.db2.gz QPEJUGVSIVEZOP-UHFFFAOYSA-N 1 2 401.514 3.928 50 0 HHAALO O=C(NCc1ccccc1)[C@H]1CCCN(c2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC000033071261 558866545 /nfs/dbraw/zinc/86/65/45/558866545.db2.gz MEZJPOVUDBHGAZ-HNNXBMFYSA-N 1 2 413.319 3.858 50 0 HHAALO NC(=O)C[N@H+](CCC1CCCCC1)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000060356757 558868591 /nfs/dbraw/zinc/86/85/91/558868591.db2.gz XIMJAIPAZCXPPI-UHFFFAOYSA-N 1 2 421.339 3.757 50 0 HHAALO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1nnc(-c2cccc(Br)c2)o1 ZINC000060356757 558868594 /nfs/dbraw/zinc/86/85/94/558868594.db2.gz XIMJAIPAZCXPPI-UHFFFAOYSA-N 1 2 421.339 3.757 50 0 HHAALO COc1cccc(-c2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)c1OC ZINC000055342577 558879708 /nfs/dbraw/zinc/87/97/08/558879708.db2.gz SDMGBNZBONYADI-MRXNPFEDSA-N 1 2 410.470 3.939 50 0 HHAALO COc1cccc(-c2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)c1OC ZINC000055342577 558879709 /nfs/dbraw/zinc/87/97/09/558879709.db2.gz SDMGBNZBONYADI-MRXNPFEDSA-N 1 2 410.470 3.939 50 0 HHAALO COc1ccccc1N1CC[NH+](CCNC(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000055538319 558882035 /nfs/dbraw/zinc/88/20/35/558882035.db2.gz RJTXXZXVMWSEAP-UHFFFAOYSA-N 1 2 402.926 3.601 50 0 HHAALO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000071315472 558896900 /nfs/dbraw/zinc/89/69/00/558896900.db2.gz UDRVTBMFOKWULD-KRWDZBQOSA-N 1 2 401.510 3.880 50 0 HHAALO C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000071315472 558896905 /nfs/dbraw/zinc/89/69/05/558896905.db2.gz UDRVTBMFOKWULD-KRWDZBQOSA-N 1 2 401.510 3.880 50 0 HHAALO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1)Nc1ccccc1 ZINC000058357665 558921714 /nfs/dbraw/zinc/92/17/14/558921714.db2.gz ZEAXEZSPNHEZDJ-SFHVURJKSA-N 1 2 408.531 3.776 50 0 HHAALO O=C(NC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1)Nc1ccccc1 ZINC000058357665 558921715 /nfs/dbraw/zinc/92/17/15/558921715.db2.gz ZEAXEZSPNHEZDJ-SFHVURJKSA-N 1 2 408.531 3.776 50 0 HHAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cc(-c2cccc(F)c2)no1 ZINC000058414252 558925257 /nfs/dbraw/zinc/92/52/57/558925257.db2.gz ORZHIDUPTBKGPQ-UHFFFAOYSA-N 1 2 415.222 3.821 50 0 HHAALO COCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002136 558968785 /nfs/dbraw/zinc/96/87/85/558968785.db2.gz HFBVRTFXSAFTJP-UHFFFAOYSA-N 1 2 424.932 3.591 50 0 HHAALO FC(F)(F)c1cccc(-c2noc(-c3ccc(NCC[NH+]4CCOCC4)nc3)n2)c1 ZINC000072433750 558979598 /nfs/dbraw/zinc/97/95/98/558979598.db2.gz FSIGVELUJWCXOW-UHFFFAOYSA-N 1 2 419.407 3.562 50 0 HHAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCN(C)C(=O)C2)cc1OC ZINC000072454167 558982849 /nfs/dbraw/zinc/98/28/49/558982849.db2.gz RAKAUAAYKNILMR-UHFFFAOYSA-N 1 2 405.498 3.501 50 0 HHAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCN(C)C(=O)C2)cc1OC ZINC000072454167 558982851 /nfs/dbraw/zinc/98/28/51/558982851.db2.gz RAKAUAAYKNILMR-UHFFFAOYSA-N 1 2 405.498 3.501 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000023157078 559022045 /nfs/dbraw/zinc/02/20/45/559022045.db2.gz LPUXTZWNWDSBQR-PXAZEXFGSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000023157078 559022046 /nfs/dbraw/zinc/02/20/46/559022046.db2.gz LPUXTZWNWDSBQR-PXAZEXFGSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000023157329 559022253 /nfs/dbraw/zinc/02/22/53/559022253.db2.gz GLLWHEFHFZTHRP-IBGZPJMESA-N 1 2 406.511 3.961 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000023157329 559022255 /nfs/dbraw/zinc/02/22/55/559022255.db2.gz GLLWHEFHFZTHRP-IBGZPJMESA-N 1 2 406.511 3.961 50 0 HHAALO O=C(c1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033278900 559042312 /nfs/dbraw/zinc/04/23/12/559042312.db2.gz WQUCFQWNSVETHV-UHFFFAOYSA-N 1 2 411.465 3.761 50 0 HHAALO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)[nH+]1 ZINC000033318459 559055910 /nfs/dbraw/zinc/05/59/10/559055910.db2.gz RFFINLKQPRPNAU-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)cc(N(C)C)[nH+]1 ZINC000033318459 559055913 /nfs/dbraw/zinc/05/59/13/559055913.db2.gz RFFINLKQPRPNAU-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO O=C(CC[NH+]1CCN(c2nccs2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000011505966 559078934 /nfs/dbraw/zinc/07/89/34/559078934.db2.gz RRJODIYBHQDAOA-UHFFFAOYSA-N 1 2 420.538 3.525 50 0 HHAALO COc1ccc(-c2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)c(OC)c1 ZINC000096406002 559110221 /nfs/dbraw/zinc/11/02/21/559110221.db2.gz ZHKFFGOOLGJSJV-KRWDZBQOSA-N 1 2 410.470 3.939 50 0 HHAALO COc1ccc(-c2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)c(OC)c1 ZINC000096406002 559110223 /nfs/dbraw/zinc/11/02/23/559110223.db2.gz ZHKFFGOOLGJSJV-KRWDZBQOSA-N 1 2 410.470 3.939 50 0 HHAALO CC1(C)Cc2cccc(OCC(=O)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2O1 ZINC000013987845 559130445 /nfs/dbraw/zinc/13/04/45/559130445.db2.gz BJQPPAUHKFZSRJ-UHFFFAOYSA-N 1 2 414.933 3.777 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247871404 559178252 /nfs/dbraw/zinc/17/82/52/559178252.db2.gz ZWAWMFMLFCFDMR-LUKWVAJMSA-N 1 2 424.456 3.528 50 0 HHAALO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247871404 559178254 /nfs/dbraw/zinc/17/82/54/559178254.db2.gz ZWAWMFMLFCFDMR-LUKWVAJMSA-N 1 2 424.456 3.528 50 0 HHAALO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(Br)c1O ZINC000000755742 560725596 /nfs/dbraw/zinc/72/55/96/560725596.db2.gz GEHDHVOPJLNBOV-UHFFFAOYSA-N 1 2 408.292 3.739 50 0 HHAALO Cc1cc(SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nc2ccccc12 ZINC000018214243 560784780 /nfs/dbraw/zinc/78/47/80/560784780.db2.gz XYVDDRKBEXFSKX-UHFFFAOYSA-N 1 2 421.566 3.784 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)c3ccc(OC)cc3)C2)nc[nH+]1 ZINC000106482816 560892077 /nfs/dbraw/zinc/89/20/77/560892077.db2.gz WKJBLBBUVNVZGU-MSOLQXFVSA-N 1 2 411.550 3.791 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)c3ccc(OC)cc3)C2)[nH+]cn1 ZINC000106482816 560892079 /nfs/dbraw/zinc/89/20/79/560892079.db2.gz WKJBLBBUVNVZGU-MSOLQXFVSA-N 1 2 411.550 3.791 50 0 HHAALO O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-n2cc[nH+]c2)ncc1Br ZINC000046086899 568428203 /nfs/dbraw/zinc/42/82/03/568428203.db2.gz RXQMAVGMYZAAAP-UHFFFAOYSA-N 1 2 412.169 3.696 50 0 HHAALO Cn1c2ccccc2n(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1=S ZINC000048340425 568440256 /nfs/dbraw/zinc/44/02/56/568440256.db2.gz QZXXGLIGLPXYAT-UHFFFAOYSA-N 1 2 401.580 3.763 50 0 HHAALO O=C(COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C1CC1 ZINC000049027500 568445687 /nfs/dbraw/zinc/44/56/87/568445687.db2.gz DBYRNGYDLDFKQM-QPJJXVBHSA-N 1 2 404.510 3.516 50 0 HHAALO O=C(C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1)Nc1ccc(F)cc1F ZINC000049403358 568448194 /nfs/dbraw/zinc/44/81/94/568448194.db2.gz MNMKAZHZFDXIGH-UHFFFAOYSA-N 1 2 416.403 3.972 50 0 HHAALO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1 ZINC000049403529 568448400 /nfs/dbraw/zinc/44/84/00/568448400.db2.gz QEPRHQVSUKNYFU-UHFFFAOYSA-N 1 2 412.515 3.933 50 0 HHAALO C[C@H]1CCCN(c2ccc(-c3noc(C[NH+]4CCN(c5ccccc5)CC4)n3)cn2)C1 ZINC000049409634 568449686 /nfs/dbraw/zinc/44/96/86/568449686.db2.gz BEHSWHHNCLGQQI-IBGZPJMESA-N 1 2 418.545 3.690 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021742855 568467957 /nfs/dbraw/zinc/46/79/57/568467957.db2.gz ZPWHQXPVEVECNI-UHFFFAOYSA-N 1 2 424.932 3.881 50 0 HHAALO CC(C)CCNC(=O)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106611 568511443 /nfs/dbraw/zinc/51/14/43/568511443.db2.gz YLPDYNSNJRFDKL-UHFFFAOYSA-N 1 2 405.546 3.962 50 0 HHAALO O=C(/C=C/c1cccc(Br)c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024928772 568514481 /nfs/dbraw/zinc/51/44/81/568514481.db2.gz GRINLODSKBUIRO-XTXLJPNXSA-N 1 2 415.331 3.652 50 0 HHAALO C[C@@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288940 568597843 /nfs/dbraw/zinc/59/78/43/568597843.db2.gz LENHHZAUIWTXAM-VGOFRKELSA-N 1 2 424.545 3.964 50 0 HHAALO Cc1nn2cc(S(=O)(=O)Nc3ccc4[nH]c(C5CCC5)[nH+]c4c3)cnc2c1Cl ZINC000095452965 568615599 /nfs/dbraw/zinc/61/55/99/568615599.db2.gz YYCTWMJXZGLFBT-UHFFFAOYSA-N 1 2 416.894 3.636 50 0 HHAALO COc1ccc(C(F)(F)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000225440764 568637939 /nfs/dbraw/zinc/63/79/39/568637939.db2.gz FTWALAGXIMSAEZ-GOSISDBHSA-N 1 2 406.498 3.521 50 0 HHAALO COc1ccc(C(F)(F)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000225440764 568637940 /nfs/dbraw/zinc/63/79/40/568637940.db2.gz FTWALAGXIMSAEZ-GOSISDBHSA-N 1 2 406.498 3.521 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)c1nc2ccccc2n1CC ZINC000095941267 568662139 /nfs/dbraw/zinc/66/21/39/568662139.db2.gz CCZROSSHDWELOP-ZDUSSCGKSA-N 1 2 400.504 3.584 50 0 HHAALO Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4[nH]c5ccccc5[nH+]4)C3)C[C@H]2C)c1 ZINC000021159227 568674168 /nfs/dbraw/zinc/67/41/68/568674168.db2.gz AWMFUDAQVSLFDF-WOJBJXKFSA-N 1 2 417.557 3.825 50 0 HHAALO COc1cccc2c(O)c(C(=O)NCCCCCc3[nH]c4ccccc4[nH+]3)cnc12 ZINC000096118566 568698460 /nfs/dbraw/zinc/69/84/60/568698460.db2.gz KUDRCANETGLKPZ-UHFFFAOYSA-N 1 2 404.470 3.556 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000229981421 568716217 /nfs/dbraw/zinc/71/62/17/568716217.db2.gz HSNVOWSBKITEMX-PZJWPPBQSA-N 1 2 406.448 3.994 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000229981421 568716219 /nfs/dbraw/zinc/71/62/19/568716219.db2.gz HSNVOWSBKITEMX-PZJWPPBQSA-N 1 2 406.448 3.994 50 0 HHAALO COc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000021583427 568719813 /nfs/dbraw/zinc/71/98/13/568719813.db2.gz ODQRYUOFMHOGPH-LJQANCHMSA-N 1 2 409.935 3.968 50 0 HHAALO COc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000021583427 568719816 /nfs/dbraw/zinc/71/98/16/568719816.db2.gz ODQRYUOFMHOGPH-LJQANCHMSA-N 1 2 409.935 3.968 50 0 HHAALO Cc1cccc(-c2ccc(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)c(=O)[nH]2)c1 ZINC000096297927 568722716 /nfs/dbraw/zinc/72/27/16/568722716.db2.gz AIVRJYOHJAPVDH-POHAHGRESA-N 1 2 413.521 3.822 50 0 HHAALO C[C@H](NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)c1ccccc1 ZINC000021602243 568723002 /nfs/dbraw/zinc/72/30/02/568723002.db2.gz RUEUOMMXQVOUKE-AWEZNQCLSA-N 1 2 407.474 3.924 50 0 HHAALO Cc1nc(N2CCN(C(=O)NC(C)C)CC2)c(Cc2ccc(F)cc2)c(C(C)C)[nH+]1 ZINC000096317691 568726760 /nfs/dbraw/zinc/72/67/60/568726760.db2.gz MKWIYDVQKNZVOX-UHFFFAOYSA-N 1 2 413.541 3.878 50 0 HHAALO CCc1[nH+]c(CC(C)C)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000096317615 568726907 /nfs/dbraw/zinc/72/69/07/568726907.db2.gz HAELJLOOHFFCNR-UHFFFAOYSA-N 1 2 423.605 3.940 50 0 HHAALO Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)c(Cl)c2)cc1 ZINC000000892342 568741499 /nfs/dbraw/zinc/74/14/99/568741499.db2.gz VIGPRBKXNBKOQK-UHFFFAOYSA-N 1 2 421.950 3.874 50 0 HHAALO COc1cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc(OC)c1 ZINC000000904735 568749741 /nfs/dbraw/zinc/74/97/41/568749741.db2.gz LTNJCMIODRPNHR-UHFFFAOYSA-N 1 2 421.482 3.564 50 0 HHAALO Cc1ccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)cc1 ZINC000000929952 568750955 /nfs/dbraw/zinc/75/09/55/568750955.db2.gz TTZDCLLUMQILGB-UHFFFAOYSA-N 1 2 406.515 3.516 50 0 HHAALO COC(=O)CCCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000096998624 568766071 /nfs/dbraw/zinc/76/60/71/568766071.db2.gz QDSWQMMNBNPSLV-QZTJIDSGSA-N 1 2 405.539 3.541 50 0 HHAALO C[C@@H]1CCC[N@H+](CN2c3ccccc3C3(OCC(C)(c4ccccc4)CO3)C2=O)C1 ZINC000001158145 568775225 /nfs/dbraw/zinc/77/52/25/568775225.db2.gz OKRRBOGZWHJKNJ-PNEAOOGRSA-N 1 2 406.526 3.880 50 0 HHAALO C[C@@H]1CCC[N@@H+](CN2c3ccccc3C3(OCC(C)(c4ccccc4)CO3)C2=O)C1 ZINC000001158145 568775228 /nfs/dbraw/zinc/77/52/28/568775228.db2.gz OKRRBOGZWHJKNJ-PNEAOOGRSA-N 1 2 406.526 3.880 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)c1 ZINC000052659906 568775477 /nfs/dbraw/zinc/77/54/77/568775477.db2.gz PWEQVXNWAORPQZ-KRWDZBQOSA-N 1 2 408.502 3.633 50 0 HHAALO O=C(CSC(=S)N1CC[NH+](Cc2ccccc2)CC1)Oc1ccc(F)cc1F ZINC000215679374 568788512 /nfs/dbraw/zinc/78/85/12/568788512.db2.gz VXGQBJPQQBLKPP-UHFFFAOYSA-N 1 2 422.522 3.706 50 0 HHAALO COc1cc(Br)c(NC(=O)Cn2c(C)[nH+]c3ccccc32)cc1OC ZINC000056166722 568790633 /nfs/dbraw/zinc/79/06/33/568790633.db2.gz XUVRIBOIYVNMQS-UHFFFAOYSA-N 1 2 404.264 3.763 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000028875766 568812253 /nfs/dbraw/zinc/81/22/53/568812253.db2.gz USSUPXXGGIMDMP-KRWDZBQOSA-N 1 2 417.296 3.562 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056896259 568820834 /nfs/dbraw/zinc/82/08/34/568820834.db2.gz YWRYVRRBDUZEOE-HSZRJFAPSA-N 1 2 422.479 3.653 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)c(OCc3ccccc3C)co2)CC1 ZINC000056949862 568821900 /nfs/dbraw/zinc/82/19/00/568821900.db2.gz YNEWFFATOAFTGZ-UHFFFAOYSA-N 1 2 420.509 3.858 50 0 HHAALO CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000029191650 568822489 /nfs/dbraw/zinc/82/24/89/568822489.db2.gz WEKXHESFENVODP-UHFFFAOYSA-N 1 2 408.468 3.934 50 0 HHAALO CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1C ZINC000029191650 568822491 /nfs/dbraw/zinc/82/24/91/568822491.db2.gz WEKXHESFENVODP-UHFFFAOYSA-N 1 2 408.468 3.934 50 0 HHAALO CCOC(=O)c1sc2[nH]c(C[N@H+](C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000057405919 568832825 /nfs/dbraw/zinc/83/28/25/568832825.db2.gz MMTMLRWLOPYRCY-UHFFFAOYSA-N 1 2 405.907 3.755 50 0 HHAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000057405919 568832826 /nfs/dbraw/zinc/83/28/26/568832826.db2.gz MMTMLRWLOPYRCY-UHFFFAOYSA-N 1 2 405.907 3.755 50 0 HHAALO O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000012507066 568839393 /nfs/dbraw/zinc/83/93/93/568839393.db2.gz YAFDUZFQJBWTTC-UHFFFAOYSA-N 1 2 410.477 3.610 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478407 568839738 /nfs/dbraw/zinc/83/97/38/568839738.db2.gz TVELQLYLOVJXOR-QHCPKHFHSA-N 1 2 421.541 3.942 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000057478407 568839739 /nfs/dbraw/zinc/83/97/39/568839739.db2.gz TVELQLYLOVJXOR-QHCPKHFHSA-N 1 2 421.541 3.942 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000230090260 568840769 /nfs/dbraw/zinc/84/07/69/568840769.db2.gz OMRPTXZNALNJBG-PXAZEXFGSA-N 1 2 423.460 3.974 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000230090260 568840770 /nfs/dbraw/zinc/84/07/70/568840770.db2.gz OMRPTXZNALNJBG-PXAZEXFGSA-N 1 2 423.460 3.974 50 0 HHAALO COc1ccc(OCCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)cc1 ZINC000012547248 568850824 /nfs/dbraw/zinc/85/08/24/568850824.db2.gz BMERLRCGOUFLDK-JOCHJYFZSA-N 1 2 409.486 3.502 50 0 HHAALO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030218753 568858979 /nfs/dbraw/zinc/85/89/79/568858979.db2.gz XQQGIQVGWJSRKD-QHCPKHFHSA-N 1 2 400.482 3.512 50 0 HHAALO COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(F)cc2F)c2[nH+]ccn2C)c1 ZINC000012604486 568870784 /nfs/dbraw/zinc/87/07/84/568870784.db2.gz LJWASDZYZRRFBZ-SFHVURJKSA-N 1 2 402.401 3.627 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+](Cc2nnc(-c3ccc4c(c3)OCO4)o2)CC1 ZINC000058024084 568878100 /nfs/dbraw/zinc/87/81/00/568878100.db2.gz KULUHOOSGCNFFA-UHFFFAOYSA-N 1 2 412.877 3.749 50 0 HHAALO CC[N@H+](CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1 ZINC000004034913 568879304 /nfs/dbraw/zinc/87/93/04/568879304.db2.gz IPPCPHIIAQDCOR-QFIPXVFZSA-N 1 2 411.521 3.658 50 0 HHAALO CC[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1 ZINC000004034913 568879306 /nfs/dbraw/zinc/87/93/06/568879306.db2.gz IPPCPHIIAQDCOR-QFIPXVFZSA-N 1 2 411.521 3.658 50 0 HHAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000004060257 568881019 /nfs/dbraw/zinc/88/10/19/568881019.db2.gz UNKLTRXXWKZTPX-UOIOJPBHSA-N 1 2 410.926 3.916 50 0 HHAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000004060257 568881020 /nfs/dbraw/zinc/88/10/20/568881020.db2.gz UNKLTRXXWKZTPX-UOIOJPBHSA-N 1 2 410.926 3.916 50 0 HHAALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012658996 568907038 /nfs/dbraw/zinc/90/70/38/568907038.db2.gz WNWFGUUEXYZDIC-UHFFFAOYSA-N 1 2 406.467 3.650 50 0 HHAALO O=c1[nH]c(C[NH2+]Cc2ccco2)nc2c(Br)cc(Br)cc12 ZINC000012689287 568908115 /nfs/dbraw/zinc/90/81/15/568908115.db2.gz QKDFDNWKVGGOMO-UHFFFAOYSA-N 1 2 413.069 3.743 50 0 HHAALO O=S(=O)(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000084581823 568951261 /nfs/dbraw/zinc/95/12/61/568951261.db2.gz 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CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000067205051 569003392 /nfs/dbraw/zinc/00/33/92/569003392.db2.gz KKDJBCNEHGHMKE-HXUWFJFHSA-N 1 2 413.905 3.643 50 0 HHAALO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012824860 569009023 /nfs/dbraw/zinc/00/90/23/569009023.db2.gz BMVQQXHBBWTTJV-JOCHJYFZSA-N 1 2 411.525 3.867 50 0 HHAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000012850496 569010436 /nfs/dbraw/zinc/01/04/36/569010436.db2.gz KGBUOFGSARGENX-CQSZACIVSA-N 1 2 405.420 3.901 50 0 HHAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000012850496 569010437 /nfs/dbraw/zinc/01/04/37/569010437.db2.gz KGBUOFGSARGENX-CQSZACIVSA-N 1 2 405.420 3.901 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1)Nc1ccccc1 ZINC000012869039 569012416 /nfs/dbraw/zinc/01/24/16/569012416.db2.gz PIIWKYFXQVKBBW-WOJBJXKFSA-N 1 2 411.933 3.663 50 0 HHAALO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000012948237 569029317 /nfs/dbraw/zinc/02/93/17/569029317.db2.gz FZXUESDFVKGSOB-CQSZACIVSA-N 1 2 420.966 3.785 50 0 HHAALO Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)[nH+]c(C)n2)c1 ZINC000090607933 569042206 /nfs/dbraw/zinc/04/22/06/569042206.db2.gz GVEZJYKJGVSGCQ-UHFFFAOYSA-N 1 2 422.920 3.848 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012996863 569048299 /nfs/dbraw/zinc/04/82/99/569048299.db2.gz VHWIPYLSTKPZAZ-UHFFFAOYSA-N 1 2 403.526 3.809 50 0 HHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F)OCO2 ZINC000013006528 569049699 /nfs/dbraw/zinc/04/96/99/569049699.db2.gz JZISKFGLFKKVSQ-UHFFFAOYSA-N 1 2 408.376 3.707 50 0 HHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F)OCO2 ZINC000013006528 569049700 /nfs/dbraw/zinc/04/97/00/569049700.db2.gz JZISKFGLFKKVSQ-UHFFFAOYSA-N 1 2 408.376 3.707 50 0 HHAALO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cccs1 ZINC000013019088 569051056 /nfs/dbraw/zinc/05/10/56/569051056.db2.gz FSFPEXRKRCLUDL-UHFFFAOYSA-N 1 2 405.372 3.998 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000245311650 569055648 /nfs/dbraw/zinc/05/56/48/569055648.db2.gz PNWRSFZTCKAQCO-TUFLPTIASA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000245311650 569055649 /nfs/dbraw/zinc/05/56/49/569055649.db2.gz PNWRSFZTCKAQCO-TUFLPTIASA-N 1 2 422.912 3.792 50 0 HHAALO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N[C@H](C)COC)c2c1C ZINC000006510297 569062048 /nfs/dbraw/zinc/06/20/48/569062048.db2.gz SKPVMHYUGBPTLN-CYBMUJFWSA-N 1 2 406.552 3.609 50 0 HHAALO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(NCCCOC)c2c1C ZINC000006510298 569062077 /nfs/dbraw/zinc/06/20/77/569062077.db2.gz MQABHFQENUCUJG-UHFFFAOYSA-N 1 2 406.552 3.611 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)Cc3ccccn3)csc2C1 ZINC000426498785 569073147 /nfs/dbraw/zinc/07/31/47/569073147.db2.gz XKEIZISHFSIAJK-AWEZNQCLSA-N 1 2 410.543 3.667 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)Cc3ccccn3)csc2C1 ZINC000426498785 569073148 /nfs/dbraw/zinc/07/31/48/569073148.db2.gz XKEIZISHFSIAJK-AWEZNQCLSA-N 1 2 410.543 3.667 50 0 HHAALO Cc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)n1 ZINC000426518329 569073236 /nfs/dbraw/zinc/07/32/36/569073236.db2.gz NGAFXTWLHXTFEP-XMMPIXPASA-N 1 2 409.578 3.684 50 0 HHAALO Cc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)n1 ZINC000426518329 569073237 /nfs/dbraw/zinc/07/32/37/569073237.db2.gz NGAFXTWLHXTFEP-XMMPIXPASA-N 1 2 409.578 3.684 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccncn3)csc2C1 ZINC000426662244 569073801 /nfs/dbraw/zinc/07/38/01/569073801.db2.gz NNMAZQIIXJLOHW-CQSZACIVSA-N 1 2 411.531 3.534 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@H](C)c3ccncn3)csc2C1 ZINC000426662244 569073802 /nfs/dbraw/zinc/07/38/02/569073802.db2.gz NNMAZQIIXJLOHW-CQSZACIVSA-N 1 2 411.531 3.534 50 0 HHAALO C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000006623722 569075305 /nfs/dbraw/zinc/07/53/05/569075305.db2.gz KWSBBEWXGYPTOC-KRWDZBQOSA-N 1 2 417.465 3.630 50 0 biogenic HHAALO CC(C)(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCc2cccc(F)c2)C2CCCC2)CC1 ZINC000036254822 569120169 /nfs/dbraw/zinc/12/01/69/569120169.db2.gz MRQCDDZNNXAXEO-QFIPXVFZSA-N 1 2 417.569 3.581 50 0 HHAALO CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310549 569131776 /nfs/dbraw/zinc/13/17/76/569131776.db2.gz NXOQIHLHLGQYPQ-NQIIRXRSSA-N 1 2 400.567 3.557 50 0 HHAALO CN(Cc1ccco1)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310938 569132080 /nfs/dbraw/zinc/13/20/80/569132080.db2.gz SUHRIYQTHSKFGA-QFIPXVFZSA-N 1 2 424.545 3.647 50 0 HHAALO O=C(Nc1ccccc1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311342 569132311 /nfs/dbraw/zinc/13/23/11/569132311.db2.gz HUDJBWFBQSWQKZ-JOCHJYFZSA-N 1 2 409.505 3.781 50 0 HHAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000036351024 569147278 /nfs/dbraw/zinc/14/72/78/569147278.db2.gz ZZADYVRKUFQJNG-FXAWDEMLSA-N 1 2 405.420 3.839 50 0 HHAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000036351024 569147280 /nfs/dbraw/zinc/14/72/80/569147280.db2.gz ZZADYVRKUFQJNG-FXAWDEMLSA-N 1 2 405.420 3.839 50 0 HHAALO CCOc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1 ZINC000065034867 569158481 /nfs/dbraw/zinc/15/84/81/569158481.db2.gz AGWDKSQFQVBSKU-UHFFFAOYSA-N 1 2 405.498 3.540 50 0 HHAALO CCOc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1 ZINC000065034867 569158483 /nfs/dbraw/zinc/15/84/83/569158483.db2.gz AGWDKSQFQVBSKU-UHFFFAOYSA-N 1 2 405.498 3.540 50 0 HHAALO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(N2CCOCC2)n1Cc1ccccc1 ZINC000036390932 569166660 /nfs/dbraw/zinc/16/66/60/569166660.db2.gz IBKIXQFAQNVBFB-UHFFFAOYSA-N 1 2 413.591 3.663 50 0 HHAALO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(N2CCOCC2)n1Cc1ccccc1 ZINC000036390932 569166662 /nfs/dbraw/zinc/16/66/62/569166662.db2.gz IBKIXQFAQNVBFB-UHFFFAOYSA-N 1 2 413.591 3.663 50 0 HHAALO O[C@]1(C(F)(F)F)C=C(C2CC2)[NH2+]N1c1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000006926675 569183479 /nfs/dbraw/zinc/18/34/79/569183479.db2.gz QAHPPRUPLFKTHO-AWEZNQCLSA-N 1 2 406.286 3.982 50 0 HHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2ccccc2F)cc1 ZINC000065171477 569188765 /nfs/dbraw/zinc/18/87/65/569188765.db2.gz OJWTVWXHTPOPCP-UHFFFAOYSA-N 1 2 400.475 3.992 50 0 HHAALO COc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(C)c4)no3)CC2)c1 ZINC000065184124 569191281 /nfs/dbraw/zinc/19/12/81/569191281.db2.gz JXVFUWGBJYANBR-UHFFFAOYSA-N 1 2 406.486 3.872 50 0 HHAALO O=C(c1ccc(-c2ccc(N3CCCCC3)[nH+]c2)cc1)N1CCC2(CC1)OCCO2 ZINC000065178191 569191693 /nfs/dbraw/zinc/19/16/93/569191693.db2.gz PDHGFRVQUYYDOT-UHFFFAOYSA-N 1 2 407.514 3.718 50 0 HHAALO CCOc1ccccc1NC(=O)c1cn(-c2cc(N3CCC(C)CC3)[nH+]cn2)cn1 ZINC000065239863 569203603 /nfs/dbraw/zinc/20/36/03/569203603.db2.gz XKRCKECSQCIIDY-UHFFFAOYSA-N 1 2 406.490 3.550 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3OC)C2)nc[nH+]1 ZINC000065245028 569204877 /nfs/dbraw/zinc/20/48/77/569204877.db2.gz TXWJUZZITYXONB-MRXNPFEDSA-N 1 2 413.522 3.561 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3OC)C2)[nH+]cn1 ZINC000065245028 569204879 /nfs/dbraw/zinc/20/48/79/569204879.db2.gz TXWJUZZITYXONB-MRXNPFEDSA-N 1 2 413.522 3.561 50 0 HHAALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000065259892 569210934 /nfs/dbraw/zinc/21/09/34/569210934.db2.gz JABTVKBLIMCFJB-JOCHJYFZSA-N 1 2 412.921 3.707 50 0 HHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)COc1ccccc1)C2 ZINC000065260095 569210984 /nfs/dbraw/zinc/21/09/84/569210984.db2.gz HRHQUGOPSIDBRU-DEOSSOPVSA-N 1 2 406.530 3.970 50 0 HHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065260074 569211017 /nfs/dbraw/zinc/21/10/17/569211017.db2.gz NEIZGOYKFPVQLQ-XMMPIXPASA-N 1 2 420.513 3.934 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)nc[nH+]1 ZINC000065274102 569214797 /nfs/dbraw/zinc/21/47/97/569214797.db2.gz XEEWURJSXTXTFZ-UHFFFAOYSA-N 1 2 407.562 3.880 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)[nH+]cn1 ZINC000065274102 569214798 /nfs/dbraw/zinc/21/47/98/569214798.db2.gz XEEWURJSXTXTFZ-UHFFFAOYSA-N 1 2 407.562 3.880 50 0 HHAALO CCc1ccccc1-n1c(SCc2cn3ccccc3[nH+]2)nnc1N1CCOCC1 ZINC000007072996 569217683 /nfs/dbraw/zinc/21/76/83/569217683.db2.gz KXXUDOKKEANDHM-UHFFFAOYSA-N 1 2 420.542 3.606 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc2nsnc2c1 ZINC000013324504 569255023 /nfs/dbraw/zinc/25/50/23/569255023.db2.gz PMNLOKPXXHDNQD-UHFFFAOYSA-N 1 2 422.341 3.759 50 0 HHAALO O=c1[nH]c(C[N@@H+](Cc2cccc3cccnc32)C[C@@H]2CCCO2)nc2ccccc21 ZINC000054619036 569292424 /nfs/dbraw/zinc/29/24/24/569292424.db2.gz NJYCJGOWJHDFPE-IBGZPJMESA-N 1 2 400.482 3.653 50 0 HHAALO O=c1[nH]c(C[N@H+](Cc2cccc3cccnc32)C[C@@H]2CCCO2)nc2ccccc21 ZINC000054619036 569292425 /nfs/dbraw/zinc/29/24/25/569292425.db2.gz NJYCJGOWJHDFPE-IBGZPJMESA-N 1 2 400.482 3.653 50 0 HHAALO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000007647486 569298528 /nfs/dbraw/zinc/29/85/28/569298528.db2.gz YLKLNQOUPHXBSA-UHFFFAOYSA-N 1 2 415.493 3.937 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000007647486 569298530 /nfs/dbraw/zinc/29/85/30/569298530.db2.gz YLKLNQOUPHXBSA-UHFFFAOYSA-N 1 2 415.493 3.937 50 0 HHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007909125 569321176 /nfs/dbraw/zinc/32/11/76/569321176.db2.gz QUDGVDHQXGXZIJ-SFHVURJKSA-N 1 2 408.527 3.774 50 0 HHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007909125 569321178 /nfs/dbraw/zinc/32/11/78/569321178.db2.gz QUDGVDHQXGXZIJ-SFHVURJKSA-N 1 2 408.527 3.774 50 0 HHAALO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000078995727 569423095 /nfs/dbraw/zinc/42/30/95/569423095.db2.gz PINXXAZZMJLSJF-QGZVFWFLSA-N 1 2 424.932 3.968 50 0 HHAALO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000078995727 569423097 /nfs/dbraw/zinc/42/30/97/569423097.db2.gz PINXXAZZMJLSJF-QGZVFWFLSA-N 1 2 424.932 3.968 50 0 HHAALO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000028724790 571037691 /nfs/dbraw/zinc/03/76/91/571037691.db2.gz MKSHBNBKSFQBPI-AWEZNQCLSA-N 1 2 400.442 3.855 50 0 HHAALO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000028724790 571037694 /nfs/dbraw/zinc/03/76/94/571037694.db2.gz MKSHBNBKSFQBPI-AWEZNQCLSA-N 1 2 400.442 3.855 50 0 HHAALO COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1cc(C)ccc1OC)c1[nH+]ccn1C ZINC000040071243 571152059 /nfs/dbraw/zinc/15/20/59/571152059.db2.gz OQLYEOPXHKVSQJ-KKSFZXQISA-N 1 2 408.502 3.896 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000040086092 571156793 /nfs/dbraw/zinc/15/67/93/571156793.db2.gz XGNFTRCZUGTSSX-BVZFJXPGSA-N 1 2 417.509 3.542 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000040086092 571156795 /nfs/dbraw/zinc/15/67/95/571156795.db2.gz XGNFTRCZUGTSSX-BVZFJXPGSA-N 1 2 417.509 3.542 50 0 HHAALO O=C(c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000040110473 571168735 /nfs/dbraw/zinc/16/87/35/571168735.db2.gz MLRNRBUFTDNAEY-LJQANCHMSA-N 1 2 413.524 3.921 50 0 HHAALO Cc1ccc(-c2cc(NC(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)on2)cc1 ZINC000008944018 571170185 /nfs/dbraw/zinc/17/01/85/571170185.db2.gz TYKPMVASUWMDIY-UHFFFAOYSA-N 1 2 424.545 3.703 50 0 HHAALO C[C@@H](C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000040145269 571195609 /nfs/dbraw/zinc/19/56/09/571195609.db2.gz WNJFBNUSPJKKQA-LAUBAEHRSA-N 1 2 401.514 3.940 50 0 HHAALO CC(C)c1ccc(N2CCN(CC(=O)N3CCC(Oc4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000244969013 571211002 /nfs/dbraw/zinc/21/10/02/571211002.db2.gz GUALHWYEVYSZNR-UHFFFAOYSA-N 1 2 422.529 3.517 50 0 HHAALO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)c(C)c1 ZINC000245237898 571219439 /nfs/dbraw/zinc/21/94/39/571219439.db2.gz GLRVVZPGYJKNEX-NLFFAJNJSA-N 1 2 419.569 3.702 50 0 HHAALO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)N2CCCC2)c(C)c1 ZINC000245237898 571219442 /nfs/dbraw/zinc/21/94/42/571219442.db2.gz GLRVVZPGYJKNEX-NLFFAJNJSA-N 1 2 419.569 3.702 50 0 HHAALO C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009378139 571253324 /nfs/dbraw/zinc/25/33/24/571253324.db2.gz CPZPZJCZKIVFBH-ICSRJNTNSA-N 1 2 417.513 3.994 50 0 HHAALO Cc1ccc(CN2C(SCCCc3ccccc3)=[NH+][C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000009477059 571261676 /nfs/dbraw/zinc/26/16/76/571261676.db2.gz AXBGTAYQPPZYLV-NHCUHLMSSA-N 1 2 414.596 3.698 50 0 HHAALO NC(=O)c1c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C2CC2)sc2c1CCCC2 ZINC000007880033 961360861 /nfs/dbraw/zinc/36/08/61/961360861.db2.gz NGTCZJRRHJPPRF-LJQANCHMSA-N 1 2 415.584 3.735 50 0 HHAALO NC(=O)c1c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C2CC2)sc2c1CCCC2 ZINC000007880033 961360878 /nfs/dbraw/zinc/36/08/78/961360878.db2.gz NGTCZJRRHJPPRF-LJQANCHMSA-N 1 2 415.584 3.735 50 0 HHAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000012094349 962236888 /nfs/dbraw/zinc/23/68/88/962236888.db2.gz XGRYGAIKHPTPSI-HXUWFJFHSA-N 1 2 404.470 3.594 50 0 HHAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCC[N@H+]1Cc1cccc2c1OCO2 ZINC000012094349 962236908 /nfs/dbraw/zinc/23/69/08/962236908.db2.gz XGRYGAIKHPTPSI-HXUWFJFHSA-N 1 2 404.470 3.594 50 0 HHAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000012094346 962237167 /nfs/dbraw/zinc/23/71/67/962237167.db2.gz XGRYGAIKHPTPSI-FQEVSTJZSA-N 1 2 404.470 3.594 50 0 HHAALO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCO2 ZINC000012094346 962237180 /nfs/dbraw/zinc/23/71/80/962237180.db2.gz XGRYGAIKHPTPSI-FQEVSTJZSA-N 1 2 404.470 3.594 50 0 HHAALO COc1cc(/C=C/C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1OC(C)C ZINC000012976781 962357940 /nfs/dbraw/zinc/35/79/40/962357940.db2.gz KFMGMLZHECSODL-ZRDIBKRKSA-N 1 2 424.541 3.719 50 0 HHAALO CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000096851417 969052835 /nfs/dbraw/zinc/05/28/35/969052835.db2.gz FMZVWLPXBUVWGQ-YFHOEESVSA-N 1 2 403.442 3.967 50 0 HHAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000097987464 969181766 /nfs/dbraw/zinc/18/17/66/969181766.db2.gz GTIUARVCIPBEGZ-DAXSKMNVSA-N 1 2 403.448 3.975 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000004980256 132297346 /nfs/dbraw/zinc/29/73/46/132297346.db2.gz DGLPDHCHSUSNJF-UHFFFAOYSA-N 1 2 421.335 3.797 50 0 HHAALO Cc1nc(N2CCN(C(=O)NC(C)C)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000006766657 132315322 /nfs/dbraw/zinc/31/53/22/132315322.db2.gz FVGCTKKOFQURCP-UHFFFAOYSA-N 1 2 401.942 3.578 50 0 HHAALO CC(C)c1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312769 519835962 /nfs/dbraw/zinc/83/59/62/519835962.db2.gz OIBLNSABNUHSID-RUZDIDTESA-N 1 2 419.569 3.648 50 0 HHAALO CC(C)c1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)cc1 ZINC000033312769 519835963 /nfs/dbraw/zinc/83/59/63/519835963.db2.gz OIBLNSABNUHSID-RUZDIDTESA-N 1 2 419.569 3.648 50 0 HHAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851104 521390349 /nfs/dbraw/zinc/39/03/49/521390349.db2.gz XWTDCMDNNNUFTB-UHFFFAOYSA-N 1 2 414.527 3.975 50 0 HHAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000032851104 521390355 /nfs/dbraw/zinc/39/03/55/521390355.db2.gz XWTDCMDNNNUFTB-UHFFFAOYSA-N 1 2 414.527 3.975 50 0 HHAALO CC[C@@H](C(=O)NCC[NH+]1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1)c1ccccc1 ZINC000020573401 521839148 /nfs/dbraw/zinc/83/91/48/521839148.db2.gz NPONYVDKEWLJFI-RPWUZVMVSA-N 1 2 421.585 3.634 50 0 HHAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000020543375 522277553 /nfs/dbraw/zinc/27/75/53/522277553.db2.gz BMWMJMIVWREFAT-UHFFFAOYSA-N 1 2 421.419 3.842 50 0 HHAALO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000024752655 526645528 /nfs/dbraw/zinc/64/55/28/526645528.db2.gz KOSSMPGKUPVTOM-JXMROGBWSA-N 1 2 402.498 3.527 50 0 HHAALO O=C(NCc1cccc(C(F)(F)F)c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802232 526710558 /nfs/dbraw/zinc/71/05/58/526710558.db2.gz YFEGQUFSMVZMHV-LJQANCHMSA-N 1 2 407.436 3.578 50 0 HHAALO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1cccs1 ZINC000032865321 527209269 /nfs/dbraw/zinc/20/92/69/527209269.db2.gz WSYXJPNMZZWLIJ-UHFFFAOYSA-N 1 2 405.372 3.998 50 0 HHAALO O=S(=O)(c1ccc(F)c(F)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020533985 527274597 /nfs/dbraw/zinc/27/45/97/527274597.db2.gz HZBSHNCZPJNZDN-UHFFFAOYSA-N 1 2 402.466 3.625 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000044380141 527453535 /nfs/dbraw/zinc/45/35/35/527453535.db2.gz KZHNQHZTFCOGHQ-SFHVURJKSA-N 1 2 407.367 3.863 50 0 HHAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCCCC2)cc1OC ZINC000022626053 557077693 /nfs/dbraw/zinc/07/76/93/557077693.db2.gz GZVYGFJHOZRRTF-KRWDZBQOSA-N 1 2 402.520 3.787 50 0 HHAALO N=c1c2c(ncn1CC[NH+]1CCOCC1)oc(-c1ccccc1)c2-c1ccccc1 ZINC000002199666 557326020 /nfs/dbraw/zinc/32/60/20/557326020.db2.gz RJNZEOJQDXBBBZ-UHFFFAOYSA-N 1 2 400.482 3.775 50 0 HHAALO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(F)c1 ZINC000034855488 557477013 /nfs/dbraw/zinc/47/70/13/557477013.db2.gz GDBRGBITWYMNJD-IVZQSRNASA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(F)c1 ZINC000034855488 557477015 /nfs/dbraw/zinc/47/70/15/557477015.db2.gz GDBRGBITWYMNJD-IVZQSRNASA-N 1 2 415.509 3.650 50 0 HHAALO COC(=O)[C@@H]([NH3+])Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000004899668 557611224 /nfs/dbraw/zinc/61/12/24/557611224.db2.gz SPYVYWCBBVEEBH-DEOSSOPVSA-N 1 2 411.505 3.766 50 0 HHAALO O=S(=O)(c1nc(-c2cccs2)oc1NCCCn1cc[nH+]c1)c1ccccc1 ZINC000006467723 557703838 /nfs/dbraw/zinc/70/38/38/557703838.db2.gz YCIBNYVYONMKAB-UHFFFAOYSA-N 1 2 414.512 3.935 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000009060445 557821228 /nfs/dbraw/zinc/82/12/28/557821228.db2.gz WXRPAOCTKMQIHF-NVXWUHKLSA-N 1 2 418.423 3.560 50 0 HHAALO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 ZINC000011664289 558267844 /nfs/dbraw/zinc/26/78/44/558267844.db2.gz XVUQUGKIXRERSH-UHFFFAOYSA-N 1 2 401.470 3.642 50 0 HHAALO CC[C@H]1C[N@H+](Cc2ccc(Sc3nncn3C)o2)Cc2cc(OC)ccc2O1 ZINC000011782231 558274944 /nfs/dbraw/zinc/27/49/44/558274944.db2.gz HLILKBHMLPPMMR-HNNXBMFYSA-N 1 2 400.504 3.741 50 0 HHAALO CC[C@H]1C[N@@H+](Cc2ccc(Sc3nncn3C)o2)Cc2cc(OC)ccc2O1 ZINC000011782231 558274945 /nfs/dbraw/zinc/27/49/45/558274945.db2.gz HLILKBHMLPPMMR-HNNXBMFYSA-N 1 2 400.504 3.741 50 0 HHAALO CN(Cc1c[nH+]c2ccccn12)C(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011784594 558275558 /nfs/dbraw/zinc/27/55/58/558275558.db2.gz IHGKFJRFIQGYJI-QHCPKHFHSA-N 1 2 424.932 3.618 50 0 HHAALO Cc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019865462 558298785 /nfs/dbraw/zinc/29/87/85/558298785.db2.gz PZCSKNDBULZYLA-QHCPKHFHSA-N 1 2 408.521 3.593 50 0 HHAALO Cc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019865462 558298786 /nfs/dbraw/zinc/29/87/86/558298786.db2.gz PZCSKNDBULZYLA-QHCPKHFHSA-N 1 2 408.521 3.593 50 0 HHAALO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020230423 558350124 /nfs/dbraw/zinc/35/01/24/558350124.db2.gz MNHOHFACYQYFRQ-UHFFFAOYSA-N 1 2 407.392 3.784 50 0 HHAALO CC(C)c1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCCC2 ZINC000020358273 558357830 /nfs/dbraw/zinc/35/78/30/558357830.db2.gz GOAXUBJADZYITL-UHFFFAOYSA-N 1 2 411.575 3.986 50 0 HHAALO CC[C@@H](C(=O)NCC[NH+]1CCN(C(=O)[C@H](CC)c2ccccc2)CC1)c1ccccc1 ZINC000020573404 558385894 /nfs/dbraw/zinc/38/58/94/558385894.db2.gz NPONYVDKEWLJFI-DNQXCXABSA-N 1 2 421.585 3.634 50 0 HHAALO Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)sc21 ZINC000020616135 558392716 /nfs/dbraw/zinc/39/27/16/558392716.db2.gz FRVFEDUCQRNOER-UHFFFAOYSA-N 1 2 424.448 3.738 50 0 HHAALO CCCCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)[nH]1 ZINC000012433591 558407547 /nfs/dbraw/zinc/40/75/47/558407547.db2.gz YORKPGLYFOPNHN-UHFFFAOYSA-N 1 2 406.534 3.789 50 0 HHAALO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000012463855 558419878 /nfs/dbraw/zinc/41/98/78/558419878.db2.gz KIWJOBVYQQPLPN-INIZCTEOSA-N 1 2 411.424 3.987 50 0 HHAALO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000012463855 558419881 /nfs/dbraw/zinc/41/98/81/558419881.db2.gz KIWJOBVYQQPLPN-INIZCTEOSA-N 1 2 411.424 3.987 50 0 HHAALO O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000012634574 558442780 /nfs/dbraw/zinc/44/27/80/558442780.db2.gz HQYXSHFBKYXOEZ-UHFFFAOYSA-N 1 2 413.587 3.678 50 0 HHAALO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000022018947 558458346 /nfs/dbraw/zinc/45/83/46/558458346.db2.gz KCOMSSIOGGUAGX-IBGZPJMESA-N 1 2 400.519 3.598 50 0 HHAALO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022238507 558471435 /nfs/dbraw/zinc/47/14/35/558471435.db2.gz VWCZRTKAQRMVBZ-UHFFFAOYSA-N 1 2 404.963 3.835 50 0 HHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1cc(C2CC2)nc2ccccc21 ZINC000013002698 558501017 /nfs/dbraw/zinc/50/10/17/558501017.db2.gz KAQNMTISJWNGLY-OAQYLSRUSA-N 1 2 407.539 3.977 50 0 HHAALO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000022609647 558501375 /nfs/dbraw/zinc/50/13/75/558501375.db2.gz VBFZOWHHYPGSFN-HXUWFJFHSA-N 1 2 407.539 3.749 50 0 HHAALO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000022609647 558501379 /nfs/dbraw/zinc/50/13/79/558501379.db2.gz VBFZOWHHYPGSFN-HXUWFJFHSA-N 1 2 407.539 3.749 50 0 HHAALO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccccc2Cl)NC(=O)N[C@H]1c1cccs1 ZINC000013040155 558506470 /nfs/dbraw/zinc/50/64/70/558506470.db2.gz UTVOSGCGZDILPQ-SGTLLEGYSA-N 1 2 419.934 3.923 50 0 HHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013120916 558517097 /nfs/dbraw/zinc/51/70/97/558517097.db2.gz DHMZDRAXSHGRPB-LBPRGKRZSA-N 1 2 421.448 3.905 50 0 HHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013120916 558517100 /nfs/dbraw/zinc/51/71/00/558517100.db2.gz DHMZDRAXSHGRPB-LBPRGKRZSA-N 1 2 421.448 3.905 50 0 HHAALO CCC(CC)[C@@H](CNC(=O)c1sc(-c2ccccc2)nc1C)[NH+]1CCOCC1 ZINC000022898848 558519125 /nfs/dbraw/zinc/51/91/25/558519125.db2.gz FGQKRRVUBJTAHH-LJQANCHMSA-N 1 2 401.576 3.985 50 0 HHAALO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933568 558525442 /nfs/dbraw/zinc/52/54/42/558525442.db2.gz JFOCMELTHQWOHW-CQSZACIVSA-N 1 2 408.365 3.655 50 0 HHAALO C[N@H+](Cc1ccon1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594450 558546861 /nfs/dbraw/zinc/54/68/61/558546861.db2.gz SYJKQPYHGNARSZ-UHFFFAOYSA-N 1 2 402.454 3.947 50 0 HHAALO C[N@@H+](Cc1ccon1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594450 558546864 /nfs/dbraw/zinc/54/68/64/558546864.db2.gz SYJKQPYHGNARSZ-UHFFFAOYSA-N 1 2 402.454 3.947 50 0 HHAALO C[C@H](NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000023477203 558559524 /nfs/dbraw/zinc/55/95/24/558559524.db2.gz OIGMVDUJPGEYLO-INIZCTEOSA-N 1 2 406.357 3.988 50 0 HHAALO CCOc1ccc(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1OCC ZINC000023732865 558571853 /nfs/dbraw/zinc/57/18/53/558571853.db2.gz FOGGBQCARYBUMR-UHFFFAOYSA-N 1 2 417.575 3.615 50 0 HHAALO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023873016 558578956 /nfs/dbraw/zinc/57/89/56/558578956.db2.gz ZKXMTKCPTIKPKM-UHFFFAOYSA-N 1 2 421.497 3.955 50 0 HHAALO O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023873421 558579327 /nfs/dbraw/zinc/57/93/27/558579327.db2.gz CNLZWNKVHPHDTK-UHFFFAOYSA-N 1 2 419.550 3.887 50 0 HHAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OCc2cscn2)cc1 ZINC000023881478 558579847 /nfs/dbraw/zinc/57/98/47/558579847.db2.gz ZOAOFMMCEAHNLB-JOCHJYFZSA-N 1 2 423.538 3.525 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 ZINC000023989936 558583503 /nfs/dbraw/zinc/58/35/03/558583503.db2.gz PWRVAMVLOGTOOW-UHFFFAOYSA-N 1 2 416.525 3.716 50 0 HHAALO O=C(C[N@H+](Cc1cccs1)C1CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000024774289 558612254 /nfs/dbraw/zinc/61/22/54/558612254.db2.gz RSSDZDXTXVMGDZ-UHFFFAOYSA-N 1 2 409.511 3.874 50 0 HHAALO O=C(C[N@@H+](Cc1cccs1)C1CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000024774289 558612257 /nfs/dbraw/zinc/61/22/57/558612257.db2.gz RSSDZDXTXVMGDZ-UHFFFAOYSA-N 1 2 409.511 3.874 50 0 HHAALO Cc1nc(Sc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)n[nH]1 ZINC000014084160 558618506 /nfs/dbraw/zinc/61/85/06/558618506.db2.gz SGTQZMJHMDKAED-UHFFFAOYSA-N 1 2 400.577 3.990 50 0 HHAALO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024944228 558621784 /nfs/dbraw/zinc/62/17/84/558621784.db2.gz ZLAYHULVXQIVRU-KRWDZBQOSA-N 1 2 412.493 3.524 50 0 HHAALO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024944228 558621786 /nfs/dbraw/zinc/62/17/86/558621786.db2.gz ZLAYHULVXQIVRU-KRWDZBQOSA-N 1 2 412.493 3.524 50 0 HHAALO COc1ccc([C@@H]([NH2+][C@@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 ZINC000014196740 558633643 /nfs/dbraw/zinc/63/36/43/558633643.db2.gz GQJVAJLZGKXFDK-LOSJGSFVSA-N 1 2 416.521 3.974 50 0 HHAALO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025425645 558640689 /nfs/dbraw/zinc/64/06/89/558640689.db2.gz NQTRRFYDEVUIDA-UHFFFAOYSA-N 1 2 405.498 3.564 50 0 HHAALO CSc1ccc(C[N@H+](C)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=S)cc1 ZINC000025469949 558642085 /nfs/dbraw/zinc/64/20/85/558642085.db2.gz FPUUUXRAALHIMV-UHFFFAOYSA-N 1 2 423.629 3.813 50 0 HHAALO CSc1ccc(C[N@@H+](C)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=S)cc1 ZINC000025469949 558642087 /nfs/dbraw/zinc/64/20/87/558642087.db2.gz FPUUUXRAALHIMV-UHFFFAOYSA-N 1 2 423.629 3.813 50 0 HHAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC000026383466 558659960 /nfs/dbraw/zinc/65/99/60/558659960.db2.gz FBDHPGTVRJTNBE-CYBMUJFWSA-N 1 2 409.317 3.785 50 0 HHAALO CC[C@H](C(=O)Nc1cc(C)on1)N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000027366575 558672544 /nfs/dbraw/zinc/67/25/44/558672544.db2.gz RTCCRNBFHRJQSX-DOTOQJQBSA-N 1 2 413.547 3.689 50 0 HHAALO O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028086474 558690935 /nfs/dbraw/zinc/69/09/35/558690935.db2.gz FLXZSLSADUVYLA-UHFFFAOYSA-N 1 2 423.520 3.892 50 0 HHAALO CSc1nc(C)c(CCC(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)c(=O)[nH]1 ZINC000072273016 558692882 /nfs/dbraw/zinc/69/28/82/558692882.db2.gz IZYLRJSLQBANRV-UHFFFAOYSA-N 1 2 423.542 3.571 50 0 HHAALO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000029500743 558715972 /nfs/dbraw/zinc/71/59/72/558715972.db2.gz BHXNTJVNWOXORE-UHFFFAOYSA-N 1 2 413.275 3.632 50 0 HHAALO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000029500743 558715976 /nfs/dbraw/zinc/71/59/76/558715976.db2.gz BHXNTJVNWOXORE-UHFFFAOYSA-N 1 2 413.275 3.632 50 0 HHAALO O=S(=O)(NC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)c1ccc(F)cc1 ZINC000029934094 558724296 /nfs/dbraw/zinc/72/42/96/558724296.db2.gz UJOLEFGEOIOCEN-UHFFFAOYSA-N 1 2 400.878 3.561 50 0 HHAALO O=C(CN(Cc1ccco1)Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000015482923 558741204 /nfs/dbraw/zinc/74/12/04/558741204.db2.gz ONMLMWGONWABGO-UHFFFAOYSA-N 1 2 419.525 3.753 50 0 HHAALO COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000015525499 558742420 /nfs/dbraw/zinc/74/24/20/558742420.db2.gz YDRFQEBWPSIULV-NRFANRHFSA-N 1 2 411.889 3.733 50 0 HHAALO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000030955377 558747215 /nfs/dbraw/zinc/74/72/15/558747215.db2.gz XBJAWUMERAKCBN-UHFFFAOYSA-N 1 2 404.470 3.790 50 0 HHAALO C[NH+](C)[C@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1c(F)cccc1Cl ZINC000032983721 558804760 /nfs/dbraw/zinc/80/47/60/558804760.db2.gz SOKBDLSXZRCZFZ-QGZVFWFLSA-N 1 2 419.884 3.586 50 0 HHAALO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528703 558812209 /nfs/dbraw/zinc/81/22/09/558812209.db2.gz QPTNYPKMSWZICW-UHFFFAOYSA-N 1 2 414.941 3.783 50 0 HHAALO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528703 558812213 /nfs/dbraw/zinc/81/22/13/558812213.db2.gz QPTNYPKMSWZICW-UHFFFAOYSA-N 1 2 414.941 3.783 50 0 HHAALO Cc1nn(C)c(C)c1-c1ccnc(N2CCC(c3[nH]c4ccc(F)cc4[nH+]3)CC2)n1 ZINC000048422243 558845074 /nfs/dbraw/zinc/84/50/74/558845074.db2.gz SXABLAYFHDELDX-UHFFFAOYSA-N 1 2 405.481 3.893 50 0 HHAALO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1 ZINC000046341071 558858033 /nfs/dbraw/zinc/85/80/33/558858033.db2.gz POVBJRYWUVLZNY-HUUCEWRRSA-N 1 2 411.527 3.592 50 0 HHAALO COc1cc(OC)cc(C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1 ZINC000033084489 558868767 /nfs/dbraw/zinc/86/87/67/558868767.db2.gz IOKOMHJBBSSZST-UHFFFAOYSA-N 1 2 407.470 3.649 50 0 HHAALO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3nc(C(C)C)cs3)CC2)c1 ZINC000019336916 558870361 /nfs/dbraw/zinc/87/03/61/558870361.db2.gz XHHPQLSYWDWORJ-UHFFFAOYSA-N 1 2 417.575 3.686 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCN(C)C(=O)[C@@H]2C)cc1F ZINC000055153006 558874320 /nfs/dbraw/zinc/87/43/20/558874320.db2.gz QCSAFFCBFIZOQP-KRWDZBQOSA-N 1 2 422.504 3.658 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCN(C)C(=O)[C@@H]2C)cc1F ZINC000055153006 558874322 /nfs/dbraw/zinc/87/43/22/558874322.db2.gz QCSAFFCBFIZOQP-KRWDZBQOSA-N 1 2 422.504 3.658 50 0 HHAALO COc1cc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc2c1OCO2 ZINC000019361482 558876367 /nfs/dbraw/zinc/87/63/67/558876367.db2.gz TYFPTVABAPIHMQ-UHFFFAOYSA-N 1 2 419.319 3.504 50 0 HHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)Nc1ccccc1N1CCCCC1 ZINC000057964539 558892108 /nfs/dbraw/zinc/89/21/08/558892108.db2.gz RBNOXXDZBROUBW-HXUWFJFHSA-N 1 2 414.575 3.933 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000058171217 558908176 /nfs/dbraw/zinc/90/81/76/558908176.db2.gz RXNODNWHYZSMSM-QHCPKHFHSA-N 1 2 415.537 3.614 50 0 HHAALO CCOc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)sc2c1 ZINC000022997657 558982078 /nfs/dbraw/zinc/98/20/78/558982078.db2.gz NTYANHVSRLJGTH-UHFFFAOYSA-N 1 2 415.515 3.657 50 0 HHAALO Cc1cc(=O)c(OCC(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)co1 ZINC000072405849 558984764 /nfs/dbraw/zinc/98/47/64/558984764.db2.gz ANMCHPQHNCXMRY-UHFFFAOYSA-N 1 2 417.465 3.638 50 0 HHAALO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1ccc(Cl)cc1Cl ZINC000100119166 559130040 /nfs/dbraw/zinc/13/00/40/559130040.db2.gz IBBHILCJOWNFSK-LBPRGKRZSA-N 1 2 407.282 3.852 50 0 HHAALO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@H]2c1ccc(Cl)cc1 ZINC000100134401 559162942 /nfs/dbraw/zinc/16/29/42/559162942.db2.gz NBQXSMUQWZPLJA-GOSISDBHSA-N 1 2 414.296 3.977 50 0 HHAALO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CCc1cn(C)c2ccccc12 ZINC000328592410 559166499 /nfs/dbraw/zinc/16/64/99/559166499.db2.gz GRJZJBZBRXIZRY-ZCYQVOJMSA-N 1 2 405.542 3.641 50 0 HHAALO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CCc1cn(C)c2ccccc12 ZINC000328592410 559166500 /nfs/dbraw/zinc/16/65/00/559166500.db2.gz GRJZJBZBRXIZRY-ZCYQVOJMSA-N 1 2 405.542 3.641 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000033787835 559245611 /nfs/dbraw/zinc/24/56/11/559245611.db2.gz ZSGKIPFPUNXJOX-UHFFFAOYSA-N 1 2 410.562 3.778 50 0 HHAALO Cc1c[nH]c(=O)n1-c1cccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000078757716 560540799 /nfs/dbraw/zinc/54/07/99/560540799.db2.gz XLGYICDQYDKFFT-UHFFFAOYSA-N 1 2 420.517 3.571 50 0 HHAALO CC[NH+](CC)CCn1c2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005247155 560550715 /nfs/dbraw/zinc/55/07/15/560550715.db2.gz OCFTWUZOIVYVQU-UHFFFAOYSA-N 1 2 406.939 3.832 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000005592453 560627242 /nfs/dbraw/zinc/62/72/42/560627242.db2.gz QEMIFWRQHREMLK-OAHLLOKOSA-N 1 2 410.470 3.808 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000005592453 560627244 /nfs/dbraw/zinc/62/72/44/560627244.db2.gz QEMIFWRQHREMLK-OAHLLOKOSA-N 1 2 410.470 3.808 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccccc4F)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000103530378 560842593 /nfs/dbraw/zinc/84/25/93/560842593.db2.gz DRKRIHLARXGZMC-IFMALSPDSA-N 1 2 415.424 3.617 50 0 HHAALO C[C@]12CC[C@@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000105365678 560870919 /nfs/dbraw/zinc/87/09/19/560870919.db2.gz PAEWODTUFUTSCJ-FFHOAYQKSA-N 1 2 411.542 3.740 50 0 biogenic HHAALO CCCCNC(=O)Cc1noc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048057969 568431834 /nfs/dbraw/zinc/43/18/34/568431834.db2.gz KMMRHJOPPDJAJO-NRFANRHFSA-N 1 2 404.514 3.676 50 0 HHAALO CCCCNC(=O)Cc1noc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000048057969 568431835 /nfs/dbraw/zinc/43/18/35/568431835.db2.gz KMMRHJOPPDJAJO-NRFANRHFSA-N 1 2 404.514 3.676 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000048260517 568433536 /nfs/dbraw/zinc/43/35/36/568433536.db2.gz BYAYVHHOLNKOSJ-UHFFFAOYSA-N 1 2 410.543 3.826 50 0 HHAALO O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048300347 568437347 /nfs/dbraw/zinc/43/73/47/568437347.db2.gz OHHDCZLSKQRBEM-UHFFFAOYSA-N 1 2 409.465 3.510 50 0 HHAALO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024618895 568441899 /nfs/dbraw/zinc/44/18/99/568441899.db2.gz SJMJSRPVXQDWQN-UHFFFAOYSA-N 1 2 420.431 3.711 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000024831769 568470005 /nfs/dbraw/zinc/47/00/05/568470005.db2.gz MQTSMFLGVQNRMC-UHFFFAOYSA-N 1 2 423.605 3.858 50 0 HHAALO CN(C)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000781939 568474953 /nfs/dbraw/zinc/47/49/53/568474953.db2.gz OGNCRLGBIPDEDO-UHFFFAOYSA-N 1 2 404.499 3.612 50 0 HHAALO COc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc(OC)c1OC ZINC000033131234 568511324 /nfs/dbraw/zinc/51/13/24/568511324.db2.gz WLEZGNZFVNPXNZ-UHFFFAOYSA-N 1 2 414.506 3.810 50 0 HHAALO COc1cccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)c1 ZINC000020107663 568588252 /nfs/dbraw/zinc/58/82/52/568588252.db2.gz LPTDRZLZJKAWOU-UHFFFAOYSA-N 1 2 405.589 3.678 50 0 HHAALO C[C@H]1C[NH+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C[C@H](C)O1 ZINC000020151800 568590707 /nfs/dbraw/zinc/59/07/07/568590707.db2.gz YOKVGVGIMYWKOI-RYUDHWBXSA-N 1 2 407.337 3.830 50 0 HHAALO COc1cccc(C(=O)O[C@H](C[NH+]2CCN(c3ccccc3)CC2)C(F)(F)F)c1 ZINC000020219007 568594987 /nfs/dbraw/zinc/59/49/87/568594987.db2.gz AYSODGREEXBGOW-LJQANCHMSA-N 1 2 408.420 3.605 50 0 HHAALO CCOC(=O)N1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000020681005 568639941 /nfs/dbraw/zinc/63/99/41/568639941.db2.gz DWDRONHFNFACCT-UHFFFAOYSA-N 1 2 420.513 3.822 50 0 HHAALO CC1(C)C[NH+]=C(N2CCN(c3ncnc4sc(CC(F)(F)F)cc43)CC2)S1 ZINC000095836985 568653735 /nfs/dbraw/zinc/65/37/35/568653735.db2.gz SFDROHXKTATJBI-UHFFFAOYSA-N 1 2 415.510 3.800 50 0 in-vitro HHAALO O=C(CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1)N1CCCC1 ZINC000095941559 568662049 /nfs/dbraw/zinc/66/20/49/568662049.db2.gz MGNPFEJRURWQMA-UHFFFAOYSA-N 1 2 405.340 3.550 50 0 HHAALO O=C(CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1)N1CCCC1 ZINC000095941559 568662053 /nfs/dbraw/zinc/66/20/53/568662053.db2.gz MGNPFEJRURWQMA-UHFFFAOYSA-N 1 2 405.340 3.550 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000096129269 568701527 /nfs/dbraw/zinc/70/15/27/568701527.db2.gz UAKJWKQDWHPUNG-UHFFFAOYSA-N 1 2 401.510 3.748 50 0 HHAALO Cn1c(CCCCCNC(=O)c2cnc3c(F)cccc3c2O)[nH+]c2ccccc21 ZINC000096224255 568706628 /nfs/dbraw/zinc/70/66/28/568706628.db2.gz VMWCYIAWCZYWNU-UHFFFAOYSA-N 1 2 406.461 3.697 50 0 HHAALO Cn1cc([C@@H](CCc2ccccc2)CC(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000096277791 568716127 /nfs/dbraw/zinc/71/61/27/568716127.db2.gz FVSCCLGEDVYERT-QFIPXVFZSA-N 1 2 419.569 3.733 50 0 HHAALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1F ZINC000096316880 568725943 /nfs/dbraw/zinc/72/59/43/568725943.db2.gz ZSSTZQAXAZMTER-UHFFFAOYSA-N 1 2 408.521 3.841 50 0 HHAALO Fc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000021640406 568727486 /nfs/dbraw/zinc/72/74/86/568727486.db2.gz RHRIUGAJOUOSNO-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO Fc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccc(F)cc5)CC4)ncc3C2)cc1 ZINC000021640406 568727487 /nfs/dbraw/zinc/72/74/87/568727487.db2.gz RHRIUGAJOUOSNO-UHFFFAOYSA-N 1 2 421.495 3.640 50 0 HHAALO COCCC[N@@H+]1Cc2ccc(NS(=O)(=O)c3cc(OC)ccc3Cl)cc2C1 ZINC000241124288 568730508 /nfs/dbraw/zinc/73/05/08/568730508.db2.gz JGYWRDXTYDARSB-UHFFFAOYSA-N 1 2 410.923 3.502 50 0 HHAALO COCCC[N@H+]1Cc2ccc(NS(=O)(=O)c3cc(OC)ccc3Cl)cc2C1 ZINC000241124288 568730510 /nfs/dbraw/zinc/73/05/10/568730510.db2.gz JGYWRDXTYDARSB-UHFFFAOYSA-N 1 2 410.923 3.502 50 0 HHAALO C[C@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000241465995 568731300 /nfs/dbraw/zinc/73/13/00/568731300.db2.gz NTSIXYCCMDKUEO-RDJZCZTQSA-N 1 2 416.497 3.663 50 0 HHAALO CC(C)Oc1ccccc1N1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000242263283 568732379 /nfs/dbraw/zinc/73/23/79/568732379.db2.gz XXQSKZKSZFYNOW-CTNGQTDRSA-N 1 2 423.557 3.624 50 0 HHAALO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)c1 ZINC000021794459 568753453 /nfs/dbraw/zinc/75/34/53/568753453.db2.gz DHVVAXMRWXZGJP-UHFFFAOYSA-N 1 2 419.485 3.626 50 0 HHAALO c1nnc(N2CCOCC2)c2sc3c(c12)c1c([nH+]c3N2CCCCC2)CCCC1 ZINC000096562489 568760488 /nfs/dbraw/zinc/76/04/88/568760488.db2.gz JTPFBVBFTMRZCB-UHFFFAOYSA-N 1 2 409.559 3.945 50 0 HHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000028731036 568804947 /nfs/dbraw/zinc/80/49/47/568804947.db2.gz HSPPQZKLKPXMJC-AEFFLSMTSA-N 1 2 418.559 3.624 50 0 HHAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000028731036 568804948 /nfs/dbraw/zinc/80/49/48/568804948.db2.gz HSPPQZKLKPXMJC-AEFFLSMTSA-N 1 2 418.559 3.624 50 0 HHAALO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000002939297 568818950 /nfs/dbraw/zinc/81/89/50/568818950.db2.gz YWVNRIAMBOCBRZ-UHFFFAOYSA-N 1 2 413.525 3.970 50 0 HHAALO COc1ccc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945124 568821248 /nfs/dbraw/zinc/82/12/48/568821248.db2.gz LFMNBWPTDHZRFD-QHCPKHFHSA-N 1 2 419.525 3.510 50 0 HHAALO Cc1nc(/C=C/C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC000029285251 568824038 /nfs/dbraw/zinc/82/40/38/568824038.db2.gz DLIBSOSLUWOQPX-QPJJXVBHSA-N 1 2 411.449 3.708 50 0 HHAALO C[C@@H](NC(=O)Cn1c(=S)[nH]nc1-c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547467 568851425 /nfs/dbraw/zinc/85/14/25/568851425.db2.gz ASIFHYQHWJSVCH-CYBMUJFWSA-N 1 2 410.528 3.732 50 0 HHAALO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000057568017 568853758 /nfs/dbraw/zinc/85/37/58/568853758.db2.gz ZPGVHNOBKWVNSG-HXUWFJFHSA-N 1 2 422.573 3.835 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(SC(F)F)cc3)CC2)c1 ZINC000029985154 568854818 /nfs/dbraw/zinc/85/48/18/568854818.db2.gz PGWXBULMHDPKKY-UHFFFAOYSA-N 1 2 422.497 3.977 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000012559426 568857149 /nfs/dbraw/zinc/85/71/49/568857149.db2.gz CECHDDQOXHVWBN-IBGZPJMESA-N 1 2 407.474 3.526 50 0 HHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccnn1C1CCCC1 ZINC000057755982 568860143 /nfs/dbraw/zinc/86/01/43/568860143.db2.gz FHNUBJVHLZNFKU-UHFFFAOYSA-N 1 2 421.467 3.778 50 0 HHAALO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3F)cc2)n1 ZINC000012582851 568865220 /nfs/dbraw/zinc/86/52/20/568865220.db2.gz XSGDELYAWVFKTQ-OAQYLSRUSA-N 1 2 403.461 3.881 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000058136080 568890312 /nfs/dbraw/zinc/89/03/12/568890312.db2.gz BVEOQZWCCQOMNW-HSZRJFAPSA-N 1 2 422.479 3.653 50 0 aggregator HHAALO O[C@H](COc1ccccc1F)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000025753537 568913687 /nfs/dbraw/zinc/91/36/87/568913687.db2.gz PKEMZCLTVPLYPO-SFHVURJKSA-N 1 2 400.519 3.598 50 0 HHAALO CCCC[N@H+](CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O)c1ccccc1 ZINC000004669401 568933337 /nfs/dbraw/zinc/93/33/37/568933337.db2.gz XAMVPMGSSJXAOP-UHFFFAOYSA-N 1 2 420.557 3.826 50 0 HHAALO CCCC[N@@H+](CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O)c1ccccc1 ZINC000004669401 568933340 /nfs/dbraw/zinc/93/33/40/568933340.db2.gz XAMVPMGSSJXAOP-UHFFFAOYSA-N 1 2 420.557 3.826 50 0 HHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012765591 568948222 /nfs/dbraw/zinc/94/82/22/568948222.db2.gz XTKYJWKQLCSQOU-OAHLLOKOSA-N 1 2 417.912 3.835 50 0 HHAALO O=S(=O)(N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc(F)c(Cl)c1 ZINC000084581821 568951379 /nfs/dbraw/zinc/95/13/79/568951379.db2.gz RUTAJIICDUPOKV-RTBURBONSA-N 1 2 405.882 3.883 50 0 HHAALO CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000008131775 568975532 /nfs/dbraw/zinc/97/55/32/568975532.db2.gz HPJNYPBLTRQWHA-UHFFFAOYSA-N 1 2 413.499 3.740 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000008156400 568978058 /nfs/dbraw/zinc/97/80/58/568978058.db2.gz WOBSGZGQRRQQPW-QHCPKHFHSA-N 1 2 406.507 3.741 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000008156400 568978060 /nfs/dbraw/zinc/97/80/60/568978060.db2.gz WOBSGZGQRRQQPW-QHCPKHFHSA-N 1 2 406.507 3.741 50 0 HHAALO Cc1ccc2c(c1)-c1c(c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn1C)CS2 ZINC000015782794 569003267 /nfs/dbraw/zinc/00/32/67/569003267.db2.gz XKJWNTWIUAFUKC-UHFFFAOYSA-N 1 2 418.566 3.959 50 0 HHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2C1 ZINC000012848575 569010282 /nfs/dbraw/zinc/01/02/82/569010282.db2.gz KHNBFQXTGFITPY-INIZCTEOSA-N 1 2 417.509 3.875 50 0 HHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2C1 ZINC000012848575 569010283 /nfs/dbraw/zinc/01/02/83/569010283.db2.gz KHNBFQXTGFITPY-INIZCTEOSA-N 1 2 417.509 3.875 50 0 HHAALO CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000012889120 569019847 /nfs/dbraw/zinc/01/98/47/569019847.db2.gz FUXBLVRUNHTNGB-UHFFFAOYSA-N 1 2 404.894 3.926 50 0 HHAALO COC(=O)C1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000012909155 569021703 /nfs/dbraw/zinc/02/17/03/569021703.db2.gz BWSGQTTVIKDRKY-UHFFFAOYSA-N 1 2 402.878 3.956 50 0 HHAALO COc1cccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)c1 ZINC000035403870 569035542 /nfs/dbraw/zinc/03/55/42/569035542.db2.gz ULHNOLPQFAPHJD-UHFFFAOYSA-N 1 2 416.525 3.595 50 0 HHAALO COc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)c1 ZINC000035403870 569035543 /nfs/dbraw/zinc/03/55/43/569035543.db2.gz ULHNOLPQFAPHJD-UHFFFAOYSA-N 1 2 416.525 3.595 50 0 HHAALO Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000035404418 569035738 /nfs/dbraw/zinc/03/57/38/569035738.db2.gz JFGPVMPZRVAFRI-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000035404418 569035739 /nfs/dbraw/zinc/03/57/39/569035739.db2.gz JFGPVMPZRVAFRI-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1cc(F)cc(F)c1 ZINC000035404380 569035766 /nfs/dbraw/zinc/03/57/66/569035766.db2.gz YNIFUVFDZFYUNB-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1cc(F)cc(F)c1 ZINC000035404380 569035767 /nfs/dbraw/zinc/03/57/67/569035767.db2.gz YNIFUVFDZFYUNB-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000035485644 569039829 /nfs/dbraw/zinc/03/98/29/569039829.db2.gz NHLQGJFFVXWCMB-UTSGNWPNSA-N 1 2 401.441 3.596 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000035485644 569039830 /nfs/dbraw/zinc/03/98/30/569039830.db2.gz NHLQGJFFVXWCMB-UTSGNWPNSA-N 1 2 401.441 3.596 50 0 HHAALO CCCCC[NH+](CC(=O)N1CCc2ccccc21)CC(=O)N1CCc2ccccc21 ZINC000006427602 569048766 /nfs/dbraw/zinc/04/87/66/569048766.db2.gz DIPJZJPSTQQUGT-UHFFFAOYSA-N 1 2 405.542 3.657 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000248377951 569057721 /nfs/dbraw/zinc/05/77/21/569057721.db2.gz IDFNNJUZUWUVHU-MOUTVQLLSA-N 1 2 408.457 3.944 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000248377951 569057722 /nfs/dbraw/zinc/05/77/22/569057722.db2.gz IDFNNJUZUWUVHU-MOUTVQLLSA-N 1 2 408.457 3.944 50 0 HHAALO C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CC[NH+](C)CC2)C1 ZINC000054214537 569061225 /nfs/dbraw/zinc/06/12/25/569061225.db2.gz YBJOJQUJPXWZQJ-ZDUSSCGKSA-N 1 2 403.573 3.574 50 0 HHAALO C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N2CC[NH+](C)CC2)C1 ZINC000054214534 569061230 /nfs/dbraw/zinc/06/12/30/569061230.db2.gz YBJOJQUJPXWZQJ-CYBMUJFWSA-N 1 2 403.573 3.574 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4c(C)noc4C)csc3C2)nc1 ZINC000426465358 569073090 /nfs/dbraw/zinc/07/30/90/569073090.db2.gz ZIPXKGSOPRWVRJ-UHFFFAOYSA-N 1 2 410.543 3.799 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4c(C)noc4C)csc3C2)nc1 ZINC000426465358 569073091 /nfs/dbraw/zinc/07/30/91/569073091.db2.gz ZIPXKGSOPRWVRJ-UHFFFAOYSA-N 1 2 410.543 3.799 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)Cc3ccccn3)csc2C1 ZINC000426498786 569073190 /nfs/dbraw/zinc/07/31/90/569073190.db2.gz XKEIZISHFSIAJK-CQSZACIVSA-N 1 2 410.543 3.667 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)Cc3ccccn3)csc2C1 ZINC000426498786 569073191 /nfs/dbraw/zinc/07/31/91/569073191.db2.gz XKEIZISHFSIAJK-CQSZACIVSA-N 1 2 410.543 3.667 50 0 HHAALO CCc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2=O)cc1 ZINC000035982422 569073363 /nfs/dbraw/zinc/07/33/63/569073363.db2.gz RLDOGCQWNKXLQD-PXNSSMCTSA-N 1 2 402.498 3.665 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4ccc(O)cc4)csc3C2)nc1 ZINC000426597151 569073569 /nfs/dbraw/zinc/07/35/69/569073569.db2.gz BBBAZGHCDNQLFB-UHFFFAOYSA-N 1 2 407.539 3.899 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4ccc(O)cc4)csc3C2)nc1 ZINC000426597151 569073570 /nfs/dbraw/zinc/07/35/70/569073570.db2.gz BBBAZGHCDNQLFB-UHFFFAOYSA-N 1 2 407.539 3.899 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccncn3)csc2C1 ZINC000426662239 569073808 /nfs/dbraw/zinc/07/38/08/569073808.db2.gz NNMAZQIIXJLOHW-AWEZNQCLSA-N 1 2 411.531 3.534 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccncn3)csc2C1 ZINC000426662239 569073809 /nfs/dbraw/zinc/07/38/09/569073809.db2.gz NNMAZQIIXJLOHW-AWEZNQCLSA-N 1 2 411.531 3.534 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cc(C)on4)csc3C2)nc1 ZINC000426685479 569073915 /nfs/dbraw/zinc/07/39/15/569073915.db2.gz XYXATDKCYSDNEL-UHFFFAOYSA-N 1 2 410.543 3.832 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cc(C)on4)csc3C2)nc1 ZINC000426685479 569073916 /nfs/dbraw/zinc/07/39/16/569073916.db2.gz XYXATDKCYSDNEL-UHFFFAOYSA-N 1 2 410.543 3.832 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccccc1F)CC2 ZINC000036026475 569079584 /nfs/dbraw/zinc/07/95/84/569079584.db2.gz UHDUSOSFVJSKTI-GCJKJVERSA-N 1 2 423.532 3.600 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000006651925 569081710 /nfs/dbraw/zinc/08/17/10/569081710.db2.gz PDPMDITWGAVSHB-ZDUSSCGKSA-N 1 2 419.319 3.852 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000006651925 569081712 /nfs/dbraw/zinc/08/17/12/569081712.db2.gz PDPMDITWGAVSHB-ZDUSSCGKSA-N 1 2 419.319 3.852 50 0 HHAALO CCCCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1 ZINC000036251903 569119489 /nfs/dbraw/zinc/11/94/89/569119489.db2.gz IVVYXSAMVQDPAK-HSZRJFAPSA-N 1 2 413.606 3.870 50 0 HHAALO CCN(Cc1ccccc1)C(=O)c1cn(-c2cc(N3CCC(C)CC3)[nH+]cn2)cn1 ZINC000065239801 569203456 /nfs/dbraw/zinc/20/34/56/569203456.db2.gz RSSLXGDNNWGGSK-UHFFFAOYSA-N 1 2 404.518 3.561 50 0 HHAALO CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007048480 569211406 /nfs/dbraw/zinc/21/14/06/569211406.db2.gz FCNHHVRXOUHIHU-UHFFFAOYSA-N 1 2 408.549 3.535 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2)nc[nH+]1 ZINC000065244984 569204989 /nfs/dbraw/zinc/20/49/89/569204989.db2.gz GJHDGWPQEBXNBD-MRXNPFEDSA-N 1 2 413.522 3.561 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)c(OC)c3)C2)[nH+]cn1 ZINC000065244984 569204990 /nfs/dbraw/zinc/20/49/90/569204990.db2.gz GJHDGWPQEBXNBD-MRXNPFEDSA-N 1 2 413.522 3.561 50 0 HHAALO COc1ccc([C@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245340 569205055 /nfs/dbraw/zinc/20/50/55/569205055.db2.gz IIVZVCJVXLGPIA-ZWKOTPCHSA-N 1 2 423.561 3.934 50 0 HHAALO COc1ccc([C@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000065245340 569205056 /nfs/dbraw/zinc/20/50/56/569205056.db2.gz IIVZVCJVXLGPIA-ZWKOTPCHSA-N 1 2 423.561 3.934 50 0 HHAALO O=C(c1cccc(F)c1)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265880 569213077 /nfs/dbraw/zinc/21/30/77/569213077.db2.gz HYVOKRREUUTCJV-DEOSSOPVSA-N 1 2 406.505 3.776 50 0 HHAALO O=C(C[C@@H](c1ccsc1)n1cccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000524735715 569214326 /nfs/dbraw/zinc/21/43/26/569214326.db2.gz TZWMAQYOXCGLGH-FQEVSTJZSA-N 1 2 423.538 3.602 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cc(F)cc(F)c3)CC2)nc[nH+]1 ZINC000065274246 569215056 /nfs/dbraw/zinc/21/50/56/569215056.db2.gz KOHPVUWLKHEXLG-UHFFFAOYSA-N 1 2 417.504 3.890 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cc(F)cc(F)c3)CC2)[nH+]cn1 ZINC000065274246 569215057 /nfs/dbraw/zinc/21/50/57/569215057.db2.gz KOHPVUWLKHEXLG-UHFFFAOYSA-N 1 2 417.504 3.890 50 0 HHAALO O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016850331 569265806 /nfs/dbraw/zinc/26/58/06/569265806.db2.gz KWQCNMQOKQYMPO-UHFFFAOYSA-N 1 2 413.934 3.826 50 0 HHAALO O=C(C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000089840340 569266983 /nfs/dbraw/zinc/26/69/83/569266983.db2.gz HSNVOWSBKITEMX-FPOVZHCZSA-N 1 2 406.448 3.994 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000089840340 569266984 /nfs/dbraw/zinc/26/69/84/569266984.db2.gz HSNVOWSBKITEMX-FPOVZHCZSA-N 1 2 406.448 3.994 50 0 HHAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)[nH+]1 ZINC000017013936 569271707 /nfs/dbraw/zinc/27/17/07/569271707.db2.gz VYJDKHVBTRABQZ-UHFFFAOYSA-N 1 2 409.515 3.930 50 0 HHAALO O=C1N(C[N@@H+]2CCc3ccccc3C2)c2ccccc2[C@@]12O[C@@H]1CCCCC[C@@H]1O2 ZINC000252430648 569285334 /nfs/dbraw/zinc/28/53/34/569285334.db2.gz BVZPIBXMSLWZEV-FVRPBGSPSA-N 1 2 404.510 3.950 50 0 HHAALO O=C1N(C[N@H+]2CCc3ccccc3C2)c2ccccc2[C@@]12O[C@@H]1CCCCC[C@@H]1O2 ZINC000252430648 569285335 /nfs/dbraw/zinc/28/53/35/569285335.db2.gz BVZPIBXMSLWZEV-FVRPBGSPSA-N 1 2 404.510 3.950 50 0 HHAALO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027296114 569292986 /nfs/dbraw/zinc/29/29/86/569292986.db2.gz NFUIBNRDYWRDKT-UHFFFAOYSA-N 1 2 413.827 3.703 50 0 HHAALO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027296114 569292988 /nfs/dbraw/zinc/29/29/88/569292988.db2.gz NFUIBNRDYWRDKT-UHFFFAOYSA-N 1 2 413.827 3.703 50 0 HHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 ZINC000007742039 569306037 /nfs/dbraw/zinc/30/60/37/569306037.db2.gz NQODIYVTYRLZAR-NRFANRHFSA-N 1 2 423.513 3.606 50 0 HHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)c(OC)c1 ZINC000007742039 569306038 /nfs/dbraw/zinc/30/60/38/569306038.db2.gz NQODIYVTYRLZAR-NRFANRHFSA-N 1 2 423.513 3.606 50 0 HHAALO Cc1cc2c3c(c1)C(C[NH+]1CCN(c4ccccc4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000253495681 569381866 /nfs/dbraw/zinc/38/18/66/569381866.db2.gz NJYYNOZWXCLECJ-UHFFFAOYSA-N 1 2 401.510 3.522 50 0 HHAALO COc1ccc(C)cc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000002446763 569401289 /nfs/dbraw/zinc/40/12/89/569401289.db2.gz NCEKQDDWXRNRBO-UHFFFAOYSA-N 1 2 405.483 3.863 50 0 HHAALO Cc1ccc(-c2noc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000012947564 569405130 /nfs/dbraw/zinc/40/51/30/569405130.db2.gz KGWAQNGQAISBOZ-VMPITWQZSA-N 1 2 416.525 3.835 50 0 HHAALO C[C@@H](CNC(=O)c1cc(-c2ccccc2)ns1)[NH+]1CCN(c2ccccc2)CC1 ZINC000078902898 569421529 /nfs/dbraw/zinc/42/15/29/569421529.db2.gz RVEYXGDWJDYBKR-SFHVURJKSA-N 1 2 406.555 3.751 50 0 HHAALO O=C(NCCC[NH+]1CCCCCC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000040143456 571193910 /nfs/dbraw/zinc/19/39/10/571193910.db2.gz QKFBOOMNKZUROJ-UHFFFAOYSA-N 1 2 421.588 3.545 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000009336470 571249187 /nfs/dbraw/zinc/24/91/87/571249187.db2.gz SVYPLIPDCSWGNH-IBGZPJMESA-N 1 2 412.493 3.667 50 0 HHAALO Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCc4c[nH+]c[nH]4)c(=O)oc12)CCCC3 ZINC000009421702 571257254 /nfs/dbraw/zinc/25/72/54/571257254.db2.gz KJXZBYRUXKTPAR-UHFFFAOYSA-N 1 2 419.481 3.659 50 0 HHAALO Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCc4c[nH]c[nH+]4)c(=O)oc12)CCCC3 ZINC000009421702 571257256 /nfs/dbraw/zinc/25/72/56/571257256.db2.gz KJXZBYRUXKTPAR-UHFFFAOYSA-N 1 2 419.481 3.659 50 0 HHAALO O=C(Nc1cccc(Cl)c1Cl)C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000070638055 571270675 /nfs/dbraw/zinc/27/06/75/571270675.db2.gz HENBAWBUEHEXQG-UHFFFAOYSA-N 1 2 417.300 3.824 50 0 HHAALO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)NC1CCCCC1 ZINC000009878612 571289348 /nfs/dbraw/zinc/28/93/48/571289348.db2.gz YRPJAJQGYXSDBP-UHFFFAOYSA-N 1 2 413.591 3.794 50 0 HHAALO O=C(CCc1cccc(Br)c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000071807122 571301816 /nfs/dbraw/zinc/30/18/16/571301816.db2.gz UXOBTNOKBLMHHS-HXUWFJFHSA-N 1 2 417.347 3.571 50 0 HHAALO Cc1sc2[nH]c(=S)n(CCC[NH+]3CCOCC3)c(=O)c2c1-c1ccccc1 ZINC000017082274 571314161 /nfs/dbraw/zinc/31/41/61/571314161.db2.gz RYFPBHQCTJSCAQ-UHFFFAOYSA-N 1 2 401.557 3.818 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022039332 963583101 /nfs/dbraw/zinc/58/31/01/963583101.db2.gz VLWCWSGGIAZAFO-RMKNXTFCSA-N 1 2 413.949 3.927 50 0 HHAALO O=C(/C=C\c1ccc(Br)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096536642 969045808 /nfs/dbraw/zinc/04/58/08/969045808.db2.gz ZJZJRZJJXUFDTD-DHIFYFQBSA-N 1 2 401.304 3.913 50 0 HHAALO Cc1nnc([C@H]2CC3(C[N@@H+]2Cc2cccnc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189833 970623714 /nfs/dbraw/zinc/62/37/14/970623714.db2.gz KCAOKVTXZMWICU-OAQYLSRUSA-N 1 2 417.513 3.643 50 0 HHAALO Cc1nnc([C@H]2CC3(C[N@H+]2Cc2cccnc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189833 970623719 /nfs/dbraw/zinc/62/37/19/970623719.db2.gz KCAOKVTXZMWICU-OAQYLSRUSA-N 1 2 417.513 3.643 50 0 HHAALO CC(C)(C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)[nH+]1 ZINC000000718806 132231819 /nfs/dbraw/zinc/23/18/19/132231819.db2.gz QYMBGKUQTBGEMR-UHFFFAOYSA-N 1 2 412.416 3.561 50 0 HHAALO COc1ccc(Nc2nc(NCCC3=CCCCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000003014448 132261464 /nfs/dbraw/zinc/26/14/64/132261464.db2.gz NMLIBPYJYTZDTE-UHFFFAOYSA-N 1 2 410.522 3.763 50 0 HHAALO CC[N@H+](CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21)c1cccc(C)c1 ZINC000003047648 132262273 /nfs/dbraw/zinc/26/22/73/132262273.db2.gz XGOPPGMYKJZUOZ-UHFFFAOYSA-N 1 2 423.557 3.842 50 0 HHAALO CC[N@@H+](CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21)c1cccc(C)c1 ZINC000003047648 132262275 /nfs/dbraw/zinc/26/22/75/132262275.db2.gz XGOPPGMYKJZUOZ-UHFFFAOYSA-N 1 2 423.557 3.842 50 0 HHAALO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000006921912 132320931 /nfs/dbraw/zinc/32/09/31/132320931.db2.gz KUVNCGZOVSDYMX-UHFFFAOYSA-N 1 2 403.511 3.753 50 0 HHAALO C[C@@H]1CCc2c(sc3ncnc(N4CC[NH+](Cc5cn6ccccc6n5)CC4)c23)C1 ZINC000012575578 132364490 /nfs/dbraw/zinc/36/44/90/132364490.db2.gz JEXIMPPNYGQPOP-MRXNPFEDSA-N 1 2 418.570 3.786 50 0 HHAALO Clc1ccc(-c2noc(C[NH+]3CCN(c4ncnc5ccccc54)CC3)n2)cc1 ZINC000012594794 132364842 /nfs/dbraw/zinc/36/48/42/132364842.db2.gz UXWZXFAFHFQRLL-UHFFFAOYSA-N 1 2 406.877 3.655 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012745815 132366519 /nfs/dbraw/zinc/36/65/19/132366519.db2.gz PEMXWNUULNWMLU-MRXNPFEDSA-N 1 2 401.942 3.711 50 0 HHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012873967 132368091 /nfs/dbraw/zinc/36/80/91/132368091.db2.gz UIEPKSNTZQQWNA-HNNXBMFYSA-N 1 2 419.932 3.850 50 0 HHAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)Nc4nccs4)CC3)cc(C)c2c1 ZINC000021704251 519734673 /nfs/dbraw/zinc/73/46/73/519734673.db2.gz WFHBCODJHDBEBQ-UHFFFAOYSA-N 1 2 409.515 3.813 50 0 HHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3csc(Br)c3)CC2)cc1 ZINC000032466592 520970965 /nfs/dbraw/zinc/97/09/65/520970965.db2.gz VABLXOWQSOGGAF-UHFFFAOYSA-N 1 2 409.349 3.867 50 0 HHAALO C[C@]12CC[C@@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000020111451 525351737 /nfs/dbraw/zinc/35/17/37/525351737.db2.gz PAEWODTUFUTSCJ-KXEAFHOWSA-N 1 2 411.542 3.740 50 0 biogenic HHAALO COc1ccc([C@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)c2[nH+]ccn2C)cc1 ZINC000032843623 525369573 /nfs/dbraw/zinc/36/95/73/525369573.db2.gz HIWHVRJACCHXQW-NRFANRHFSA-N 1 2 401.470 3.508 50 0 HHAALO Cc1ccc(-c2nnc3ccccc3c2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032952905 525861204 /nfs/dbraw/zinc/86/12/04/525861204.db2.gz CYXPDOQJLQHOGN-UHFFFAOYSA-N 1 2 409.493 3.963 50 0 HHAALO Clc1ccc(-c2noc(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)n2)cc1 ZINC000022806668 526937295 /nfs/dbraw/zinc/93/72/95/526937295.db2.gz AWNOKHMGFKOAMX-UHFFFAOYSA-N 1 2 410.905 3.643 50 0 HHAALO O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000032787427 527360069 /nfs/dbraw/zinc/36/00/69/527360069.db2.gz FKYSBYJLJYQQMB-UHFFFAOYSA-N 1 2 424.555 3.851 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000032894998 527450672 /nfs/dbraw/zinc/45/06/72/527450672.db2.gz YELNVBWHIHKEPV-UTKZUKDTSA-N 1 2 422.916 3.870 50 0 HHAALO CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)[nH+]1 ZINC000006773592 536146718 /nfs/dbraw/zinc/14/67/18/536146718.db2.gz KZSCFJQSCAYLMA-UHFFFAOYSA-N 1 2 414.575 3.554 50 0 HHAALO O=C(OC[C@H](O)CO)c1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000000607872 557019010 /nfs/dbraw/zinc/01/90/10/557019010.db2.gz APQPGQGAWABJLN-GFCCVEGCSA-N 1 2 406.360 3.507 50 0 world HHAALO CCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855792 557477194 /nfs/dbraw/zinc/47/71/94/557477194.db2.gz WXJXQBWMNRPMMM-NPMXOYFQSA-N 1 2 400.494 3.857 50 0 HHAALO CCC(=O)N[C@@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855792 557477199 /nfs/dbraw/zinc/47/71/99/557477199.db2.gz WXJXQBWMNRPMMM-NPMXOYFQSA-N 1 2 400.494 3.857 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000004892245 557610613 /nfs/dbraw/zinc/61/06/13/557610613.db2.gz UIGBWXQTYVCZJA-HKWRFOASSA-N 1 2 408.889 3.514 50 0 HHAALO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022766789 557814911 /nfs/dbraw/zinc/81/49/11/557814911.db2.gz PHOCDTSFIGVALC-NRFANRHFSA-N 1 2 423.513 3.742 50 0 HHAALO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1 ZINC000022766789 557814914 /nfs/dbraw/zinc/81/49/14/557814914.db2.gz PHOCDTSFIGVALC-NRFANRHFSA-N 1 2 423.513 3.742 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[NH+]1CCC(C)CC1)S2 ZINC000022853380 557840270 /nfs/dbraw/zinc/84/02/70/557840270.db2.gz VPKLSKKYGTWTSF-SFHVURJKSA-N 1 2 416.547 3.897 50 0 HHAALO CCOc1cc(C[N@@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)ccc1OC ZINC000011782522 558274790 /nfs/dbraw/zinc/27/47/90/558274790.db2.gz HRNJOSHRILPRRL-RUZDIDTESA-N 1 2 420.509 3.965 50 0 HHAALO CCOc1cc(C[N@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)ccc1OC ZINC000011782522 558274794 /nfs/dbraw/zinc/27/47/94/558274794.db2.gz HRNJOSHRILPRRL-RUZDIDTESA-N 1 2 420.509 3.965 50 0 HHAALO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000011937008 558300728 /nfs/dbraw/zinc/30/07/28/558300728.db2.gz BVOPYJYZRJIJFT-JOCHJYFZSA-N 1 2 403.486 3.966 50 0 HHAALO Cc1ncc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1 ZINC000011937008 558300731 /nfs/dbraw/zinc/30/07/31/558300731.db2.gz BVOPYJYZRJIJFT-JOCHJYFZSA-N 1 2 403.486 3.966 50 0 HHAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019880238 558300794 /nfs/dbraw/zinc/30/07/94/558300794.db2.gz NAANCICQVRWRKA-UHFFFAOYSA-N 1 2 418.868 3.865 50 0 HHAALO O=c1[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c(O)c1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020188815 558344363 /nfs/dbraw/zinc/34/43/63/558344363.db2.gz VOQVGWHSWHYXFG-MRXNPFEDSA-N 1 2 419.428 3.855 50 0 HHAALO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020406366 558360162 /nfs/dbraw/zinc/36/01/62/558360162.db2.gz YOMZQNGQEUTCJA-GOSISDBHSA-N 1 2 424.541 3.825 50 0 HHAALO CCCCn1c(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)cnc1S(=O)(=O)CC ZINC000012307355 558375928 /nfs/dbraw/zinc/37/59/28/558375928.db2.gz HWAISZMQBGHFKU-FQEVSTJZSA-N 1 2 418.607 3.859 50 0 HHAALO CCCCn1c(C[N@H+]2CCCC[C@H]2CCc2ccccn2)cnc1S(=O)(=O)CC ZINC000012307355 558375930 /nfs/dbraw/zinc/37/59/30/558375930.db2.gz HWAISZMQBGHFKU-FQEVSTJZSA-N 1 2 418.607 3.859 50 0 HHAALO C[C@@H]1CCCN(c2nc3nnnn3c3sc4c(c32)CC[N@@H+](Cc2ccccc2)C4)C1 ZINC000020503883 558381361 /nfs/dbraw/zinc/38/13/61/558381361.db2.gz TYYFZRLJBSVHIY-OAHLLOKOSA-N 1 2 419.558 3.529 50 0 HHAALO C[C@@H]1CCCN(c2nc3nnnn3c3sc4c(c32)CC[N@H+](Cc2ccccc2)C4)C1 ZINC000020503883 558381366 /nfs/dbraw/zinc/38/13/66/558381366.db2.gz TYYFZRLJBSVHIY-OAHLLOKOSA-N 1 2 419.558 3.529 50 0 HHAALO CC[C@@H](C)n1c(=O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)[nH]c1=S ZINC000020622433 558394087 /nfs/dbraw/zinc/39/40/87/558394087.db2.gz DSEVQDYZZJLHMH-ABKXIKBNSA-N 1 2 404.923 3.952 50 0 HHAALO CC[C@@H](C)n1c(O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020622433 558394088 /nfs/dbraw/zinc/39/40/88/558394088.db2.gz DSEVQDYZZJLHMH-ABKXIKBNSA-N 1 2 404.923 3.952 50 0 HHAALO O=C1c2ccccc2/C(=C\NCCCn2cc[nH+]c2)C(=O)N1c1cccc(Cl)c1 ZINC000020665405 558398122 /nfs/dbraw/zinc/39/81/22/558398122.db2.gz LPGGJIDIRZDWHY-XSFVSMFZSA-N 1 2 406.873 3.744 50 0 HHAALO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000012463859 558419981 /nfs/dbraw/zinc/41/99/81/558419981.db2.gz KIWJOBVYQQPLPN-MRXNPFEDSA-N 1 2 411.424 3.987 50 0 HHAALO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000012463859 558419983 /nfs/dbraw/zinc/41/99/83/558419983.db2.gz KIWJOBVYQQPLPN-MRXNPFEDSA-N 1 2 411.424 3.987 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc(Cl)cc1Br ZINC000012630093 558441343 /nfs/dbraw/zinc/44/13/43/558441343.db2.gz LEZZBHKETQNCSH-UHFFFAOYSA-N 1 2 422.710 3.956 50 0 HHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012792164 558466330 /nfs/dbraw/zinc/46/63/30/558466330.db2.gz SUAHPMVUMVRPLI-MRXNPFEDSA-N 1 2 401.942 3.711 50 0 HHAALO Cc1nc(C[NH+]2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cs1 ZINC000022225765 558467027 /nfs/dbraw/zinc/46/70/27/558467027.db2.gz GHPMXQUTMGINJN-UHFFFAOYSA-N 1 2 402.527 3.779 50 0 HHAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)c1cc(C2CC2)nc2ccccc21 ZINC000013002699 558501093 /nfs/dbraw/zinc/50/10/93/558501093.db2.gz KAQNMTISJWNGLY-NRFANRHFSA-N 1 2 407.539 3.977 50 0 HHAALO CC(C)OC(=O)c1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000013038936 558505926 /nfs/dbraw/zinc/50/59/26/558505926.db2.gz ADIJAUSUYKEQBD-UHFFFAOYSA-N 1 2 415.921 3.666 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1OC ZINC000022785510 558510837 /nfs/dbraw/zinc/51/08/37/558510837.db2.gz CQBDWFHLLBXOQU-GOSISDBHSA-N 1 2 421.541 3.883 50 0 HHAALO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1OC ZINC000022785510 558510839 /nfs/dbraw/zinc/51/08/39/558510839.db2.gz CQBDWFHLLBXOQU-GOSISDBHSA-N 1 2 421.541 3.883 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1F ZINC000022786595 558510992 /nfs/dbraw/zinc/51/09/92/558510992.db2.gz BSWRFKKDWSGLDZ-HNNXBMFYSA-N 1 2 405.901 3.633 50 0 HHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000022902801 558519484 /nfs/dbraw/zinc/51/94/84/558519484.db2.gz QSTHRYZCCOLVDH-LJQANCHMSA-N 1 2 408.420 3.697 50 0 HHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000022916666 558521653 /nfs/dbraw/zinc/52/16/53/558521653.db2.gz QIDBHXJMRLWEOP-AWEZNQCLSA-N 1 2 400.885 3.594 50 0 HHAALO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013465276 558533257 /nfs/dbraw/zinc/53/32/57/558533257.db2.gz MWDUQSOPJVQYFM-UHFFFAOYSA-N 1 2 423.391 3.664 50 0 HHAALO O=C(CCn1ccc2cc(Br)ccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000013683899 558568363 /nfs/dbraw/zinc/56/83/63/558568363.db2.gz PLCRACOUQYBDPT-UHFFFAOYSA-N 1 2 413.319 3.538 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1OC ZINC000023740697 558572838 /nfs/dbraw/zinc/57/28/38/558572838.db2.gz HHNAULJJWGVYCG-UHFFFAOYSA-N 1 2 414.571 3.992 50 0 HHAALO C[C@@]1(c2cc3ccccc3o2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023867016 558578609 /nfs/dbraw/zinc/57/86/09/558578609.db2.gz SJRCTKUDPWQUGJ-DEOSSOPVSA-N 1 2 401.466 3.947 50 0 HHAALO C[C@@]1(c2cc3ccccc3o2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023867016 558578611 /nfs/dbraw/zinc/57/86/11/558578611.db2.gz SJRCTKUDPWQUGJ-DEOSSOPVSA-N 1 2 401.466 3.947 50 0 HHAALO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)ccc2c1 ZINC000024061653 558587285 /nfs/dbraw/zinc/58/72/85/558587285.db2.gz YENXGXCWXRYDFI-UHFFFAOYSA-N 1 2 402.494 3.741 50 0 HHAALO CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCCCC1 ZINC000024496949 558599179 /nfs/dbraw/zinc/59/91/79/558599179.db2.gz FHJQFBVXEGMIRE-UHFFFAOYSA-N 1 2 413.522 3.615 50 0 HHAALO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cnn1-c1cccc(Cl)c1 ZINC000024571819 558601450 /nfs/dbraw/zinc/60/14/50/558601450.db2.gz DJURSRACKLQIPT-UHFFFAOYSA-N 1 2 424.932 3.596 50 0 HHAALO Cc1noc(C)c1COc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000014119387 558622138 /nfs/dbraw/zinc/62/21/38/558622138.db2.gz BRJQZSQBNYPUJP-UHFFFAOYSA-N 1 2 411.527 3.890 50 0 HHAALO CC[C@@H](c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1Cc1ccccc1)[NH+](C)C ZINC000024985297 558624746 /nfs/dbraw/zinc/62/47/46/558624746.db2.gz SHBSAXMKATXKBM-MJGOQNOKSA-N 1 2 415.607 3.690 50 0 HHAALO COc1ccc(C[NH+]2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1F ZINC000025045955 558627995 /nfs/dbraw/zinc/62/79/95/558627995.db2.gz PQYDPCUSEZBGNM-UHFFFAOYSA-N 1 2 403.527 3.558 50 0 HHAALO COc1cc(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(OC)cc1Cl ZINC000014196196 558633245 /nfs/dbraw/zinc/63/32/45/558633245.db2.gz WBKXXROZPFQBIL-UHFFFAOYSA-N 1 2 417.937 3.735 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026464100 558661498 /nfs/dbraw/zinc/66/14/98/558661498.db2.gz AUCNYFNYCMHQPM-KRWDZBQOSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026464100 558661500 /nfs/dbraw/zinc/66/15/00/558661500.db2.gz AUCNYFNYCMHQPM-KRWDZBQOSA-N 1 2 417.296 3.604 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000014967837 558686313 /nfs/dbraw/zinc/68/63/13/558686313.db2.gz ITISQBALVZYDNB-IBGZPJMESA-N 1 2 405.454 3.618 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000014967837 558686315 /nfs/dbraw/zinc/68/63/15/558686315.db2.gz ITISQBALVZYDNB-IBGZPJMESA-N 1 2 405.454 3.618 50 0 HHAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+]Cc1cccnc1 ZINC000014998785 558697076 /nfs/dbraw/zinc/69/70/76/558697076.db2.gz RXMDUKAQKAXLMC-UHFFFAOYSA-N 1 2 419.510 3.857 50 0 HHAALO CCOC(=O)C1C(C[N@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000030630772 558734748 /nfs/dbraw/zinc/73/47/48/558734748.db2.gz SLPZFQQFNGFSQQ-HSZRJFAPSA-N 1 2 417.509 3.647 50 0 HHAALO CCOC(=O)C1C(C[N@@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000030630772 558734750 /nfs/dbraw/zinc/73/47/50/558734750.db2.gz SLPZFQQFNGFSQQ-HSZRJFAPSA-N 1 2 417.509 3.647 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000030630772 558734752 /nfs/dbraw/zinc/73/47/52/558734752.db2.gz SLPZFQQFNGFSQQ-HSZRJFAPSA-N 1 2 417.509 3.647 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000030630772 558734754 /nfs/dbraw/zinc/73/47/54/558734754.db2.gz SLPZFQQFNGFSQQ-HSZRJFAPSA-N 1 2 417.509 3.647 50 0 HHAALO COc1cc(F)c(NC(=O)[C@H](c2cc(Br)cs2)[NH+](C)C)cc1OC ZINC000072306970 558766357 /nfs/dbraw/zinc/76/63/57/558766357.db2.gz YXVGCFXCGUGZNJ-HNNXBMFYSA-N 1 2 417.300 3.908 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016033537 558769343 /nfs/dbraw/zinc/76/93/43/558769343.db2.gz GCIIWUBBVMUQAL-PLACYPQZSA-N 1 2 406.869 3.753 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016033537 558769346 /nfs/dbraw/zinc/76/93/46/558769346.db2.gz GCIIWUBBVMUQAL-PLACYPQZSA-N 1 2 406.869 3.753 50 0 HHAALO Cc1ccccc1NC(=O)COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O ZINC000004583857 558774115 /nfs/dbraw/zinc/77/41/15/558774115.db2.gz CJICUXMHKYFXJD-UHFFFAOYSA-N 1 2 404.466 3.524 50 0 HHAALO Cc1ccccc1NC(=O)COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O ZINC000004583857 558774117 /nfs/dbraw/zinc/77/41/17/558774117.db2.gz CJICUXMHKYFXJD-UHFFFAOYSA-N 1 2 404.466 3.524 50 0 HHAALO COC(=O)c1cc(S(=O)(=O)Nc2ccc([NH+]3CCC(C)CC3)cc2)ccc1F ZINC000072310616 558777582 /nfs/dbraw/zinc/77/75/82/558777582.db2.gz VOMYOBUAECVFJF-UHFFFAOYSA-N 1 2 406.479 3.649 50 0 HHAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034847950 558784737 /nfs/dbraw/zinc/78/47/37/558784737.db2.gz BLCPEXMPCDNOHR-ODAXIHTASA-N 1 2 410.473 3.675 50 0 HHAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034847950 558784740 /nfs/dbraw/zinc/78/47/40/558784740.db2.gz BLCPEXMPCDNOHR-ODAXIHTASA-N 1 2 410.473 3.675 50 0 HHAALO CC(C)c1ccc(-n2nnnc2C2([NH+]3CCOCC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170760 558788767 /nfs/dbraw/zinc/78/87/67/558788767.db2.gz QFZCZXKZOBIVNK-UHFFFAOYSA-N 1 2 407.562 3.769 50 0 HHAALO Cc1c2c(nn1-c1ccccc1Cl)c(SCC[NH+]1CCOCC1)nnc2C ZINC000036646285 558800849 /nfs/dbraw/zinc/80/08/49/558800849.db2.gz VPLWMCZGILCZOA-UHFFFAOYSA-N 1 2 403.939 3.510 50 0 HHAALO O=c1[nH]c(=S)n(CCc2ccccc2)c2c1C[N@H+](CCCc1ccccc1)CN2 ZINC000017028723 558812475 /nfs/dbraw/zinc/81/24/75/558812475.db2.gz HPAGSZXSAMPDQY-UHFFFAOYSA-N 1 2 406.555 3.966 50 0 HHAALO O=c1[nH]c(=S)n(CCc2ccccc2)c2c1C[N@@H+](CCCc1ccccc1)CN2 ZINC000017028723 558812477 /nfs/dbraw/zinc/81/24/77/558812477.db2.gz HPAGSZXSAMPDQY-UHFFFAOYSA-N 1 2 406.555 3.966 50 0 HHAALO CCc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cccc(C)c3n2)cc1 ZINC000017082722 558814945 /nfs/dbraw/zinc/81/49/45/558814945.db2.gz QRBQOKRPWPEQIN-UHFFFAOYSA-N 1 2 403.526 3.835 50 0 HHAALO CCN(C[C@@H]1CCCO1)C(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000039353917 558820267 /nfs/dbraw/zinc/82/02/67/558820267.db2.gz ULUAOAVCPODDNL-RDPSFJRHSA-N 1 2 424.541 3.658 50 0 HHAALO CCN(C[C@@H]1CCCO1)C(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000039353917 558820271 /nfs/dbraw/zinc/82/02/71/558820271.db2.gz ULUAOAVCPODDNL-RDPSFJRHSA-N 1 2 424.541 3.658 50 0 HHAALO Cc1coc2c1cc1c(C)c(CCC(=O)N3CCc4[nH]c[nH+]c4C3)c(=O)oc1c2C ZINC000013552492 558843380 /nfs/dbraw/zinc/84/33/80/558843380.db2.gz ISZTYBLQSWBPDQ-UHFFFAOYSA-N 1 2 405.454 3.705 50 0 biogenic HHAALO Cc1coc2c1cc1c(C)c(CCC(=O)N3CCc4[nH+]c[nH]c4C3)c(=O)oc1c2C ZINC000013552492 558843382 /nfs/dbraw/zinc/84/33/82/558843382.db2.gz ISZTYBLQSWBPDQ-UHFFFAOYSA-N 1 2 405.454 3.705 50 0 biogenic HHAALO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 ZINC000046341069 558858074 /nfs/dbraw/zinc/85/80/74/558858074.db2.gz POVBJRYWUVLZNY-GASCZTMLSA-N 1 2 411.527 3.592 50 0 HHAALO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@H](C)O1 ZINC000046341069 558858078 /nfs/dbraw/zinc/85/80/78/558858078.db2.gz POVBJRYWUVLZNY-GASCZTMLSA-N 1 2 411.527 3.592 50 0 HHAALO Cc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(Br)cc4[nH+]3)C2)o1 ZINC000033071316 558866589 /nfs/dbraw/zinc/86/65/89/558866589.db2.gz ZRRYKJFFCVENOH-CYBMUJFWSA-N 1 2 417.307 3.760 50 0 HHAALO Cc1ccc(CNC(=O)C2CCN(c3[nH]c4ccc(Br)cc4[nH+]3)CC2)o1 ZINC000033071249 558866608 /nfs/dbraw/zinc/86/66/08/558866608.db2.gz FSQKDPCXAMLIOH-UHFFFAOYSA-N 1 2 417.307 3.760 50 0 HHAALO CCOc1cc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)ccc1OC ZINC000033072158 558866827 /nfs/dbraw/zinc/86/68/27/558866827.db2.gz VKEVNQVAPYCJPM-GOSISDBHSA-N 1 2 422.529 3.811 50 0 HHAALO CCOc1cc(CNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)ccc1OC ZINC000033072158 558866829 /nfs/dbraw/zinc/86/68/29/558866829.db2.gz VKEVNQVAPYCJPM-GOSISDBHSA-N 1 2 422.529 3.811 50 0 HHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000033106511 558874114 /nfs/dbraw/zinc/87/41/14/558874114.db2.gz UUFBCTDTZKKHFD-UHFFFAOYSA-N 1 2 414.307 3.690 50 0 HHAALO CCOC(=O)c1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3CC)CC2)cc1 ZINC000033106442 558874209 /nfs/dbraw/zinc/87/42/09/558874209.db2.gz SONHSMCSCANSTH-UHFFFAOYSA-N 1 2 421.501 3.587 50 0 HHAALO CCOC(=O)C[N@H+](C)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000055183358 558875277 /nfs/dbraw/zinc/87/52/77/558875277.db2.gz PSNPVEVUIUGWFR-UHFFFAOYSA-N 1 2 411.477 3.990 50 0 HHAALO CCOC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000055183358 558875279 /nfs/dbraw/zinc/87/52/79/558875279.db2.gz PSNPVEVUIUGWFR-UHFFFAOYSA-N 1 2 411.477 3.990 50 0 HHAALO CCOc1cc(C(=O)NCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(-c2ccccc2)c1OC ZINC000046194909 558892835 /nfs/dbraw/zinc/89/28/35/558892835.db2.gz JYKGAUZQLKTJIT-QZTJIDSGSA-N 1 2 412.530 3.600 50 0 HHAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(Br)c2)CC1 ZINC000058159106 558904159 /nfs/dbraw/zinc/90/41/59/558904159.db2.gz KFWBTUNLOYVWJJ-UHFFFAOYSA-N 1 2 418.335 3.609 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)c(OC)c1OC ZINC000019552790 558916058 /nfs/dbraw/zinc/91/60/58/558916058.db2.gz ANGHRGCFPZXVOP-UHFFFAOYSA-N 1 2 420.509 3.824 50 0 HHAALO Cc1c(Br)c2ccccc2n1CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000058406079 558924357 /nfs/dbraw/zinc/92/43/57/558924357.db2.gz OKQXKUOKIAJCAM-UHFFFAOYSA-N 1 2 411.303 3.985 50 0 HHAALO COCc1c2ccccc2oc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058412222 558925075 /nfs/dbraw/zinc/92/50/75/558925075.db2.gz QGNVYFHBQGPIIC-UHFFFAOYSA-N 1 2 414.259 3.919 50 0 HHAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CCCCC1 ZINC000072137379 558928749 /nfs/dbraw/zinc/92/87/49/558928749.db2.gz YEEHFHPGIIUKTO-QHCPKHFHSA-N 1 2 421.541 3.618 50 0 HHAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1)NC1CCCCC1 ZINC000072137379 558928752 /nfs/dbraw/zinc/92/87/52/558928752.db2.gz YEEHFHPGIIUKTO-QHCPKHFHSA-N 1 2 421.541 3.618 50 0 HHAALO Cc1ccc(OCC(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106499 559010106 /nfs/dbraw/zinc/01/01/06/559010106.db2.gz YCPPJGZRBOSGGY-XMMPIXPASA-N 1 2 404.510 3.717 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1OC ZINC000023106482 559010119 /nfs/dbraw/zinc/01/01/19/559010119.db2.gz OQPZWGBNHDDEHA-JOCHJYFZSA-N 1 2 420.509 3.660 50 0 HHAALO COc1cccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1OC ZINC000023106393 559010158 /nfs/dbraw/zinc/01/01/58/559010158.db2.gz DBACMRANDBUAGC-JOCHJYFZSA-N 1 2 420.509 3.660 50 0 HHAALO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023248939 559068327 /nfs/dbraw/zinc/06/83/27/559068327.db2.gz ZJHRSEKALHUVOW-HYBUGGRVSA-N 1 2 403.526 3.889 50 0 HHAALO CCN(C[C@@H]1CCCO1)C(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 ZINC000104294040 559159961 /nfs/dbraw/zinc/15/99/61/559159961.db2.gz ULUAOAVCPODDNL-GBXCKJPGSA-N 1 2 424.541 3.658 50 0 HHAALO CCN(C[C@@H]1CCCO1)C(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 ZINC000104294040 559159963 /nfs/dbraw/zinc/15/99/63/559159963.db2.gz ULUAOAVCPODDNL-GBXCKJPGSA-N 1 2 424.541 3.658 50 0 HHAALO Cc1ccc(C(C)C)c(OCc2nnc(SCc3cn4ccccc4[nH+]3)n2N)c1 ZINC000005165406 559278968 /nfs/dbraw/zinc/27/89/68/559278968.db2.gz NVXPRXMZKBLRKL-UHFFFAOYSA-N 1 2 408.531 3.943 50 0 HHAALO O=C(c1cc(Br)c[nH]1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024230524 559279808 /nfs/dbraw/zinc/27/98/08/559279808.db2.gz AGGKXNBMDXETJE-UHFFFAOYSA-N 1 2 416.241 3.754 50 0 HHAALO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)Nc3ccc(-n4cc[nH+]c4)cc3)c2)n1 ZINC000078821509 560540859 /nfs/dbraw/zinc/54/08/59/560540859.db2.gz HNZGGBRZYFRVKM-UHFFFAOYSA-N 1 2 400.442 3.829 50 0 HHAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000096316805 560848827 /nfs/dbraw/zinc/84/88/27/560848827.db2.gz IQMYOMQCXDTPPD-UHFFFAOYSA-N 1 2 410.537 3.951 50 0 HHAALO COc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000106851532 560893917 /nfs/dbraw/zinc/89/39/17/560893917.db2.gz KDTMXWDBTFGQHB-UHFFFAOYSA-N 1 2 408.546 3.566 50 0 HHAALO CC[N@H+](CCCNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000048325882 568438825 /nfs/dbraw/zinc/43/88/25/568438825.db2.gz WDARSBDERRPAJL-LJQANCHMSA-N 1 2 406.534 3.886 50 0 HHAALO CC[N@@H+](CCCNC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1 ZINC000048325882 568438826 /nfs/dbraw/zinc/43/88/26/568438826.db2.gz WDARSBDERRPAJL-LJQANCHMSA-N 1 2 406.534 3.886 50 0 HHAALO O=C(Nc1ccc(OCCn2cc[nH+]c2)cc1)c1cccnc1OCC(F)(F)F ZINC000048363023 568441665 /nfs/dbraw/zinc/44/16/65/568441665.db2.gz BKJAGEFMXYZOIM-UHFFFAOYSA-N 1 2 406.364 3.551 50 0 HHAALO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)c1 ZINC000095400357 568605046 /nfs/dbraw/zinc/60/50/46/568605046.db2.gz PIEZBTWYERTBJB-UHFFFAOYSA-N 1 2 422.447 3.659 50 0 HHAALO CC(C)C(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020942438 568652947 /nfs/dbraw/zinc/65/29/47/568652947.db2.gz FKPJRVWANANEKP-UHFFFAOYSA-N 1 2 405.498 3.985 50 0 HHAALO O=C(/C=C\c1ccccc1Br)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000096179983 568702459 /nfs/dbraw/zinc/70/24/59/568702459.db2.gz VBFXCWAAMNXMAS-HJWRWDBZSA-N 1 2 401.304 3.933 50 0 HHAALO CCNC(=O)N1CCN(c2nc(C(C)C)[nH+]c(CC)c2Cc2ccc(F)cc2)CC1 ZINC000096316996 568726208 /nfs/dbraw/zinc/72/62/08/568726208.db2.gz QMRVJOMGAOHUHN-UHFFFAOYSA-N 1 2 413.541 3.744 50 0 HHAALO CC[N@H+](CCCNC(=O)C1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1 ZINC000021649162 568728601 /nfs/dbraw/zinc/72/86/01/568728601.db2.gz LKGUNOQYDIOIQA-UHFFFAOYSA-N 1 2 417.557 3.879 50 0 HHAALO CC[N@@H+](CCCNC(=O)C1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1 ZINC000021649162 568728604 /nfs/dbraw/zinc/72/86/04/568728604.db2.gz LKGUNOQYDIOIQA-UHFFFAOYSA-N 1 2 417.557 3.879 50 0 HHAALO C[NH+](C)Cc1nc([C@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 ZINC000240412691 568730001 /nfs/dbraw/zinc/73/00/01/568730001.db2.gz FNUFYMYCJGJTTK-CQSZACIVSA-N 1 2 416.400 3.644 50 0 HHAALO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724782 568751217 /nfs/dbraw/zinc/75/12/17/568751217.db2.gz IRGYUWGNNMNRFM-SFHVURJKSA-N 1 2 406.486 3.904 50 0 HHAALO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724782 568751218 /nfs/dbraw/zinc/75/12/18/568751218.db2.gz IRGYUWGNNMNRFM-SFHVURJKSA-N 1 2 406.486 3.904 50 0 HHAALO Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794483 568753459 /nfs/dbraw/zinc/75/34/59/568753459.db2.gz XSTMAJORHFQRDN-UHFFFAOYSA-N 1 2 407.449 3.757 50 0 HHAALO Cc1ccn2cc(CNC(=O)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)[nH+]c2c1 ZINC000056627619 568765097 /nfs/dbraw/zinc/76/50/97/568765097.db2.gz YOTXEPKVAQPUAO-IYBDPMFKSA-N 1 2 411.481 3.717 50 0 HHAALO CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(CC)CC2)cc1 ZINC000022460170 568768428 /nfs/dbraw/zinc/76/84/28/568768428.db2.gz YAMIJFKDDSLKMU-LAUBAEHRSA-N 1 2 401.576 3.644 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(C)C)cc1)N1CC[NH+](CC)CC1)S2 ZINC000022578104 568770061 /nfs/dbraw/zinc/77/00/61/568770061.db2.gz ILKLQSPMHNTUMB-LJQANCHMSA-N 1 2 413.591 3.909 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1cc2c(c(Cl)c1)OCO2)c1ccccc1F ZINC000025468596 568770371 /nfs/dbraw/zinc/77/03/71/568770371.db2.gz QOBZLHDGYRJFRB-GHOSXJJBSA-N 1 2 413.836 3.860 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)c1 ZINC000052659907 568775347 /nfs/dbraw/zinc/77/53/47/568775347.db2.gz PWEQVXNWAORPQZ-QGZVFWFLSA-N 1 2 408.502 3.633 50 0 HHAALO COc1ccc(Br)cc1CCC(=O)NC[C@H]1CCCN1c1cccc[nH+]1 ZINC000225629843 568777146 /nfs/dbraw/zinc/77/71/46/568777146.db2.gz OBWJUMAGFYKPLM-QGZVFWFLSA-N 1 2 418.335 3.571 50 0 HHAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225729089 568779978 /nfs/dbraw/zinc/77/99/78/568779978.db2.gz DVKRURUIYIZBMQ-SFHVURJKSA-N 1 2 416.403 3.639 50 0 HHAALO CC[N@H+](CCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1 ZINC000002941019 568819154 /nfs/dbraw/zinc/81/91/54/568819154.db2.gz ZWUDYAHMBCAJED-UHFFFAOYSA-N 1 2 418.541 3.642 50 0 HHAALO CC[N@@H+](CCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1 ZINC000002941019 568819156 /nfs/dbraw/zinc/81/91/56/568819156.db2.gz ZWUDYAHMBCAJED-UHFFFAOYSA-N 1 2 418.541 3.642 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000056896078 568820954 /nfs/dbraw/zinc/82/09/54/568820954.db2.gz KYUVKAMWSFJCIB-HSZRJFAPSA-N 1 2 404.489 3.514 50 0 HHAALO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000057303562 568826409 /nfs/dbraw/zinc/82/64/09/568826409.db2.gz WZXHSYLEIBUCLK-UHFFFAOYSA-N 1 2 422.554 3.923 50 0 HHAALO CCc1ccc([C@H]2NC(=O)NC(C[N@H+](CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415149 568833825 /nfs/dbraw/zinc/83/38/25/568833825.db2.gz DZWDAOIHVIIFLB-JOCHJYFZSA-N 1 2 407.514 3.552 50 0 HHAALO CCc1ccc([C@H]2NC(=O)NC(C[N@@H+](CC)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415149 568833827 /nfs/dbraw/zinc/83/38/27/568833827.db2.gz DZWDAOIHVIIFLB-JOCHJYFZSA-N 1 2 407.514 3.552 50 0 HHAALO CCOC(=O)C1C(C[N@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415598 568833984 /nfs/dbraw/zinc/83/39/84/568833984.db2.gz PKNGLIIRYVTMQO-NRFANRHFSA-N 1 2 411.477 3.519 50 0 HHAALO CCOC(=O)C1C(C[N@@H+](CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(F)c1 ZINC000057415598 568833985 /nfs/dbraw/zinc/83/39/85/568833985.db2.gz PKNGLIIRYVTMQO-NRFANRHFSA-N 1 2 411.477 3.519 50 0 HHAALO COc1ccc([C@@H](NC(=O)c2sc(-c3ccccn3)nc2C)c2[nH+]ccn2C)cc1 ZINC000012551345 568853459 /nfs/dbraw/zinc/85/34/59/568853459.db2.gz YVFQALBIFSPYJP-GOSISDBHSA-N 1 2 419.510 3.775 50 0 HHAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000003323627 568854561 /nfs/dbraw/zinc/85/45/61/568854561.db2.gz HDELMPCVOXPXFM-UHFFFAOYSA-N 1 2 415.493 3.944 50 0 HHAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000003323627 568854563 /nfs/dbraw/zinc/85/45/63/568854563.db2.gz HDELMPCVOXPXFM-UHFFFAOYSA-N 1 2 415.493 3.944 50 0 HHAALO CCOC(=O)c1sc(NC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C(=O)OCC)c1C ZINC000003278429 568871226 /nfs/dbraw/zinc/87/12/26/568871226.db2.gz QHRLXONNANYLPM-STQMWFEESA-N 1 2 410.536 3.611 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)OCc1ccccc1 ZINC000058133910 568890082 /nfs/dbraw/zinc/89/00/82/568890082.db2.gz XTQZNNAKYAMJIM-DEOSSOPVSA-N 1 2 416.525 3.871 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000058146661 568892235 /nfs/dbraw/zinc/89/22/35/568892235.db2.gz WURYJHZANMMAIK-UHFFFAOYSA-N 1 2 408.329 3.758 50 0 HHAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003434238 568902564 /nfs/dbraw/zinc/90/25/64/568902564.db2.gz GQKJXXZAVKXOPY-UHFFFAOYSA-N 1 2 412.799 3.751 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C)cc(Br)c1O ZINC000058406997 568916785 /nfs/dbraw/zinc/91/67/85/568916785.db2.gz CELLCGHTIWOQRF-UHFFFAOYSA-N 1 2 402.292 3.941 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@H]1CCSc2ccc(F)cc21 ZINC000031834165 568933342 /nfs/dbraw/zinc/93/33/42/568933342.db2.gz FZNOIXLRFHJORG-FQEVSTJZSA-N 1 2 415.534 3.694 50 0 HHAALO C[N@@H+]1CCc2c(sc(NC(=O)c3cccc(Oc4ccccc4)c3)c2C(N)=O)C1 ZINC000004087097 568940652 /nfs/dbraw/zinc/94/06/52/568940652.db2.gz VKWYOBSLQCTCNI-UHFFFAOYSA-N 1 2 407.495 3.880 50 0 HHAALO C[N@H+]1CCc2c(sc(NC(=O)c3cccc(Oc4ccccc4)c3)c2C(N)=O)C1 ZINC000004087097 568940654 /nfs/dbraw/zinc/94/06/54/568940654.db2.gz VKWYOBSLQCTCNI-UHFFFAOYSA-N 1 2 407.495 3.880 50 0 HHAALO Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000012785138 568959446 /nfs/dbraw/zinc/95/94/46/568959446.db2.gz TUSDOWMWASCEND-FQEVSTJZSA-N 1 2 402.922 3.525 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310301 568988591 /nfs/dbraw/zinc/98/85/91/568988591.db2.gz HKTUBGKYNBSWFP-IBGZPJMESA-N 1 2 412.486 3.641 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310301 568988592 /nfs/dbraw/zinc/98/85/92/568988592.db2.gz HKTUBGKYNBSWFP-IBGZPJMESA-N 1 2 412.486 3.641 50 0 HHAALO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310463 568988735 /nfs/dbraw/zinc/98/87/35/568988735.db2.gz SNNRIFZFVFXMAW-HXUWFJFHSA-N 1 2 424.497 3.719 50 0 HHAALO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310463 568988736 /nfs/dbraw/zinc/98/87/36/568988736.db2.gz SNNRIFZFVFXMAW-HXUWFJFHSA-N 1 2 424.497 3.719 50 0 HHAALO CC[N@H+](CCCNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2)c1ccccc1 ZINC000015772887 568998825 /nfs/dbraw/zinc/99/88/25/568998825.db2.gz PFRFLDPLQODHMV-UHFFFAOYSA-N 1 2 404.514 3.830 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1[nH]nc2c1CCc1cc(OC)ccc1-2)c1ccccc1 ZINC000015772887 568998826 /nfs/dbraw/zinc/99/88/26/568998826.db2.gz PFRFLDPLQODHMV-UHFFFAOYSA-N 1 2 404.514 3.830 50 0 HHAALO Cc1cccc(C[N@@H+]2CCN(Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)n1 ZINC000104448852 569008729 /nfs/dbraw/zinc/00/87/29/569008729.db2.gz JMENGZJEIACJJD-OAQYLSRUSA-N 1 2 408.571 3.582 50 0 HHAALO Cc1cccc(C[N@H+]2CCN(Cc3cnc(-c4ccccc4)s3)C[C@H]2CCO)n1 ZINC000104448852 569008730 /nfs/dbraw/zinc/00/87/30/569008730.db2.gz JMENGZJEIACJJD-OAQYLSRUSA-N 1 2 408.571 3.582 50 0 HHAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000012850501 569010419 /nfs/dbraw/zinc/01/04/19/569010419.db2.gz KGBUOFGSARGENX-AWEZNQCLSA-N 1 2 405.420 3.901 50 0 HHAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000012850501 569010420 /nfs/dbraw/zinc/01/04/20/569010420.db2.gz KGBUOFGSARGENX-AWEZNQCLSA-N 1 2 405.420 3.901 50 0 HHAALO O=C(CCc1cnn(-c2ccccc2)c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012945318 569029033 /nfs/dbraw/zinc/02/90/33/569029033.db2.gz PLRXWTITFZPSEI-UHFFFAOYSA-N 1 2 408.933 3.803 50 0 HHAALO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[NH+]3CCC(C)CC3)c(=S)o2)c1 ZINC000006209043 569033089 /nfs/dbraw/zinc/03/30/89/569033089.db2.gz VUAHMUCNFPADMU-UHFFFAOYSA-N 1 2 424.592 3.592 50 0 HHAALO CCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000035805474 569060601 /nfs/dbraw/zinc/06/06/01/569060601.db2.gz ZKKKLPDFQACUNH-WNSKOXEYSA-N 1 2 400.494 3.857 50 0 HHAALO CCC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000035805474 569060602 /nfs/dbraw/zinc/06/06/02/569060602.db2.gz ZKKKLPDFQACUNH-WNSKOXEYSA-N 1 2 400.494 3.857 50 0 HHAALO CCCC[NH+](CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000006543278 569064954 /nfs/dbraw/zinc/06/49/54/569064954.db2.gz SVNAUUFXVXJWQL-UHFFFAOYSA-N 1 2 411.399 3.922 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690061 569070573 /nfs/dbraw/zinc/07/05/73/569070573.db2.gz GSVMYPGTTWPJRD-FZKQIMNGSA-N 1 2 416.547 3.897 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690061 569070574 /nfs/dbraw/zinc/07/05/74/569070574.db2.gz GSVMYPGTTWPJRD-FZKQIMNGSA-N 1 2 416.547 3.897 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCc3cccc(C)n3)csc2C1 ZINC000426374180 569072549 /nfs/dbraw/zinc/07/25/49/569072549.db2.gz KQHZSNMSANIAET-UHFFFAOYSA-N 1 2 410.543 3.587 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCc3cccc(C)n3)csc2C1 ZINC000426374180 569072550 /nfs/dbraw/zinc/07/25/50/569072550.db2.gz KQHZSNMSANIAET-UHFFFAOYSA-N 1 2 410.543 3.587 50 0 HHAALO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000006647155 569079356 /nfs/dbraw/zinc/07/93/56/569079356.db2.gz GADHMVIKBZGADS-UHFFFAOYSA-N 1 2 415.493 3.944 50 0 HHAALO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000006647155 569079357 /nfs/dbraw/zinc/07/93/57/569079357.db2.gz GADHMVIKBZGADS-UHFFFAOYSA-N 1 2 415.493 3.944 50 0 HHAALO CCn1nnc2cc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)ccc21 ZINC000006650486 569080655 /nfs/dbraw/zinc/08/06/55/569080655.db2.gz XFLHBSSSNOODGD-UHFFFAOYSA-N 1 2 418.526 3.718 50 0 HHAALO CCn1nnc2cc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)ccc21 ZINC000006650486 569080657 /nfs/dbraw/zinc/08/06/57/569080657.db2.gz XFLHBSSSNOODGD-UHFFFAOYSA-N 1 2 418.526 3.718 50 0 HHAALO Cc1nc(COc2ccccc2)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036107945 569093319 /nfs/dbraw/zinc/09/33/19/569093319.db2.gz MECHNXZEIOXBSC-UHFFFAOYSA-N 1 2 407.539 3.989 50 0 HHAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3Cc2ccc(C)cc2)cc1OC ZINC000006760023 569113350 /nfs/dbraw/zinc/11/33/50/569113350.db2.gz NTWPJPOXMWMBLM-UHFFFAOYSA-N 1 2 403.486 3.855 50 0 HHAALO CC[C@H](C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000036252002 569119497 /nfs/dbraw/zinc/11/94/97/569119497.db2.gz AMUZNHQRVDBKRV-OXJNMPFZSA-N 1 2 405.970 3.571 50 0 HHAALO CC[C@H](C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310560 569131760 /nfs/dbraw/zinc/13/17/60/569131760.db2.gz HVCKVPVXVSGICV-LAUBAEHRSA-N 1 2 418.557 3.696 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000006829860 569144077 /nfs/dbraw/zinc/14/40/77/569144077.db2.gz NETBLPGUBOHUHD-UHFFFAOYSA-N 1 2 414.465 3.690 50 0 HHAALO Cc1ccc(-n2c(=S)n(C[N@H+](C3CC3)C3CCCC3)nc2N2CCOCC2)cc1 ZINC000036390984 569166764 /nfs/dbraw/zinc/16/67/64/569166764.db2.gz WCWJGAVSMIDVBY-UHFFFAOYSA-N 1 2 413.591 3.913 50 0 HHAALO Cc1ccc(-n2c(=S)n(C[N@@H+](C3CC3)C3CCCC3)nc2N2CCOCC2)cc1 ZINC000036390984 569166765 /nfs/dbraw/zinc/16/67/65/569166765.db2.gz WCWJGAVSMIDVBY-UHFFFAOYSA-N 1 2 413.591 3.913 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CC(=O)Nc2ccccc21 ZINC000036440941 569183986 /nfs/dbraw/zinc/18/39/86/569183986.db2.gz PHQFYJKTNJFSFG-OAQYLSRUSA-N 1 2 409.536 3.742 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)N1CC(=O)Nc2ccccc21 ZINC000036440941 569183988 /nfs/dbraw/zinc/18/39/88/569183988.db2.gz PHQFYJKTNJFSFG-OAQYLSRUSA-N 1 2 409.536 3.742 50 0 HHAALO Cc1cccc(-n2c(SCc3cn4cc(C)ccc4[nH+]3)nnc2N2CCOCC2)c1 ZINC000006935181 569186082 /nfs/dbraw/zinc/18/60/82/569186082.db2.gz XPZRNNNVNVJINC-UHFFFAOYSA-N 1 2 420.542 3.661 50 0 HHAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000065184127 569191186 /nfs/dbraw/zinc/19/11/86/569191186.db2.gz VIMAWDGCLBEUSX-UHFFFAOYSA-N 1 2 420.469 3.592 50 0 HHAALO CCOc1ccc(NC(=O)Cn2cc[nH+]c2-c2ccnc(N3CCSCC3)c2)cc1 ZINC000065220569 569198098 /nfs/dbraw/zinc/19/80/98/569198098.db2.gz OOVCZYRHCNFPNZ-UHFFFAOYSA-N 1 2 423.542 3.536 50 0 HHAALO O=C(Nc1ccc(F)c(Cl)c1)c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1 ZINC000065239851 569203451 /nfs/dbraw/zinc/20/34/51/569203451.db2.gz QDQQENUZCWQAEW-UHFFFAOYSA-N 1 2 400.845 3.697 50 0 HHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(F)cc3F)C2)nc[nH+]1 ZINC000065242452 569204641 /nfs/dbraw/zinc/20/46/41/569204641.db2.gz YAMZUQYXHORYLV-MRXNPFEDSA-N 1 2 417.504 3.890 50 0 HHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(F)cc3F)C2)[nH+]cn1 ZINC000065242452 569204642 /nfs/dbraw/zinc/20/46/42/569204642.db2.gz YAMZUQYXHORYLV-MRXNPFEDSA-N 1 2 417.504 3.890 50 0 HHAALO COc1cccc([C@@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245343 569205182 /nfs/dbraw/zinc/20/51/82/569205182.db2.gz GDFKQDULDXYJQJ-MSOLQXFVSA-N 1 2 423.561 3.934 50 0 HHAALO COc1cccc([C@@H](C)NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245343 569205183 /nfs/dbraw/zinc/20/51/83/569205183.db2.gz GDFKQDULDXYJQJ-MSOLQXFVSA-N 1 2 423.561 3.934 50 0 HHAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050172 569211897 /nfs/dbraw/zinc/21/18/97/569211897.db2.gz VGUBHOQMNWBUOC-CYBMUJFWSA-N 1 2 406.305 3.674 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000065274182 569214971 /nfs/dbraw/zinc/21/49/71/569214971.db2.gz CQGFSNFDWPFSEQ-UHFFFAOYSA-N 1 2 411.550 3.620 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(OC)cc3)CC2)[nH+]cn1 ZINC000065274182 569214972 /nfs/dbraw/zinc/21/49/72/569214972.db2.gz CQGFSNFDWPFSEQ-UHFFFAOYSA-N 1 2 411.550 3.620 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000007266334 569230932 /nfs/dbraw/zinc/23/09/32/569230932.db2.gz IREPPFPNJFJYES-AWEZNQCLSA-N 1 2 403.320 3.867 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000007266334 569230933 /nfs/dbraw/zinc/23/09/33/569230933.db2.gz IREPPFPNJFJYES-AWEZNQCLSA-N 1 2 403.320 3.867 50 0 HHAALO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000007267778 569231111 /nfs/dbraw/zinc/23/11/11/569231111.db2.gz UESYBBFIQSBQIZ-OAHLLOKOSA-N 1 2 407.436 3.623 50 0 HHAALO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000007267778 569231112 /nfs/dbraw/zinc/23/11/12/569231112.db2.gz UESYBBFIQSBQIZ-OAHLLOKOSA-N 1 2 407.436 3.623 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000054529905 569288759 /nfs/dbraw/zinc/28/87/59/569288759.db2.gz QCNFWLCAJCYLTM-UHFFFAOYSA-N 1 2 403.482 3.945 50 0 HHAALO O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000007718457 569302035 /nfs/dbraw/zinc/30/20/35/569302035.db2.gz FYSQNUNTIMTXPP-UHFFFAOYSA-N 1 2 421.522 3.654 50 0 HHAALO O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000007718457 569302036 /nfs/dbraw/zinc/30/20/36/569302036.db2.gz FYSQNUNTIMTXPP-UHFFFAOYSA-N 1 2 421.522 3.654 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013038782 569407682 /nfs/dbraw/zinc/40/76/82/569407682.db2.gz IMXNBWUTPKQHJA-UHFFFAOYSA-N 1 2 411.399 3.841 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000013038782 569407684 /nfs/dbraw/zinc/40/76/84/569407684.db2.gz IMXNBWUTPKQHJA-UHFFFAOYSA-N 1 2 411.399 3.841 50 0 HHAALO CCOC(=O)c1sc2[nH]c(C[NH+]3CCCCC3)nc(=NN3CCCCC3)c2c1C ZINC000013041327 569407978 /nfs/dbraw/zinc/40/79/78/569407978.db2.gz ZBTZJJFFHDYCIJ-UHFFFAOYSA-N 1 2 417.579 3.975 50 0 HHAALO O=C(OC1C[NH+](C(c2ccccc2)c2ccccc2)C1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000079024076 569424588 /nfs/dbraw/zinc/42/45/88/569424588.db2.gz RKYTXKQYKVMLHQ-JOCHJYFZSA-N 1 2 418.537 3.652 50 0 HHAALO COc1ccc(Nc2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000019808619 569430521 /nfs/dbraw/zinc/43/05/21/569430521.db2.gz GGKRUWDAFXFBOT-UHFFFAOYSA-N 1 2 408.527 3.853 50 0 HHAALO Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040087679 571158135 /nfs/dbraw/zinc/15/81/35/571158135.db2.gz LVTBHZGSSKWOEA-UHFFFAOYSA-N 1 2 410.468 3.725 50 0 HHAALO COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122082 571178004 /nfs/dbraw/zinc/17/80/04/571178004.db2.gz IICDKXKVSYIYRI-UHFFFAOYSA-N 1 2 405.502 3.586 50 0 HHAALO Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3cn4ccccc4[nH+]3)c12 ZINC000040132624 571185183 /nfs/dbraw/zinc/18/51/83/571185183.db2.gz PBKLEDNMTCTUJR-UHFFFAOYSA-N 1 2 416.529 3.992 50 0 HHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1 ZINC000009265365 571244009 /nfs/dbraw/zinc/24/40/09/571244009.db2.gz KZXGYFXISQJUTR-UHFFFAOYSA-N 1 2 413.424 3.741 50 0 HHAALO O=C(C[NH+]1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCCC1 ZINC000077191083 571312215 /nfs/dbraw/zinc/31/22/15/571312215.db2.gz LALGGUWODPXINU-UHFFFAOYSA-N 1 2 408.424 3.604 50 0 HHAALO C[N@H+](CCCC1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000012205099 962253233 /nfs/dbraw/zinc/25/32/33/962253233.db2.gz RNBNIVPNHKETJX-OAQYLSRUSA-N 1 2 423.623 3.648 50 0 HHAALO C[N@@H+](CCCC1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000012205099 962253261 /nfs/dbraw/zinc/25/32/61/962253261.db2.gz RNBNIVPNHKETJX-OAQYLSRUSA-N 1 2 423.623 3.648 50 0 HHAALO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375461 963810773 /nfs/dbraw/zinc/81/07/73/963810773.db2.gz HIZUDPWVAHSKOT-FQEVSTJZSA-N 1 2 421.564 3.982 50 0 HHAALO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375461 963810775 /nfs/dbraw/zinc/81/07/75/963810775.db2.gz HIZUDPWVAHSKOT-FQEVSTJZSA-N 1 2 421.564 3.982 50 0 HHAALO Fc1ccc2cc(C[NH2+]Cc3cn4c(n3)SCC4)c(OCc3cccnc3)nc2c1 ZINC000023542360 963849597 /nfs/dbraw/zinc/84/95/97/963849597.db2.gz DYNXUFVCCXZRCT-UHFFFAOYSA-N 1 2 421.501 3.940 50 0 HHAALO O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023990271 963916054 /nfs/dbraw/zinc/91/60/54/963916054.db2.gz FQWNQWIYHRYQOB-NSCUHMNNSA-N 1 2 418.946 3.920 50 0 HHAALO CC[C@H](C(=O)N1CC[NH+]=C1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000064677858 967268087 /nfs/dbraw/zinc/26/80/87/967268087.db2.gz BUDZZRGPJSOAKI-NRFANRHFSA-N 1 2 410.949 3.854 50 0 HHAALO Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CC[NH+](Cc4cccs4)CC3)c2C)no1 ZINC000096861339 969052501 /nfs/dbraw/zinc/05/25/01/969052501.db2.gz OUYWGKXYPFELTG-SREVYHEPSA-N 1 2 410.543 3.810 50 0 HHAALO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000001142110 132238838 /nfs/dbraw/zinc/23/88/38/132238838.db2.gz JWMGAPYNWOHIEK-OAHLLOKOSA-N 1 2 412.925 3.554 50 0 HHAALO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCC[N@H+](CC)c2cccc(C)c2)C1=O ZINC000004669300 132281895 /nfs/dbraw/zinc/28/18/95/132281895.db2.gz BLMKQWLZCKUMTF-NRFANRHFSA-N 1 2 409.530 3.532 50 0 HHAALO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCC[N@@H+](CC)c2cccc(C)c2)C1=O ZINC000004669300 132281896 /nfs/dbraw/zinc/28/18/96/132281896.db2.gz BLMKQWLZCKUMTF-NRFANRHFSA-N 1 2 409.530 3.532 50 0 HHAALO Cc1cc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011077353 132347377 /nfs/dbraw/zinc/34/73/77/132347377.db2.gz WINOZIAEZFONRB-INIZCTEOSA-N 1 2 402.926 3.678 50 0 HHAALO COc1ccc(NC(=O)CSc2[nH+][nH]cc3c4cc(F)ccc4nc2-3)c(OC)c1 ZINC000032752901 524517609 /nfs/dbraw/zinc/51/76/09/524517609.db2.gz WHMCRZLXMNKIAC-UHFFFAOYSA-N 1 2 412.446 3.998 50 0 HHAALO S=c1n(CN2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)nc2ccccn21 ZINC000032771163 526387780 /nfs/dbraw/zinc/38/77/80/526387780.db2.gz NXQXPPGYEAXDKJ-UHFFFAOYSA-N 1 2 422.583 3.764 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1cccc(Cl)c1Cl ZINC000022805339 526774341 /nfs/dbraw/zinc/77/43/41/526774341.db2.gz WLBAXQBRUOPJHC-UHFFFAOYSA-N 1 2 420.340 3.685 50 0 HHAALO CCOC(=O)C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000033280228 535715702 /nfs/dbraw/zinc/71/57/02/535715702.db2.gz ZWLKJZOFDLQPRT-HXUWFJFHSA-N 1 2 410.518 3.566 50 0 HHAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCCCC2)cc1OC ZINC000022626049 557077546 /nfs/dbraw/zinc/07/75/46/557077546.db2.gz GZVYGFJHOZRRTF-QGZVFWFLSA-N 1 2 402.520 3.787 50 0 HHAALO O=C1C[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000001441072 557264218 /nfs/dbraw/zinc/26/42/18/557264218.db2.gz IVXBBNSPOVILQE-GOSISDBHSA-N 1 2 419.308 3.609 50 0 HHAALO O=C(NCc1cccnc1)c1csc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000034669005 557362732 /nfs/dbraw/zinc/36/27/32/557362732.db2.gz LFRZMYKMSVRUFL-UHFFFAOYSA-N 1 2 406.555 3.923 50 0 HHAALO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000034678069 557365996 /nfs/dbraw/zinc/36/59/96/557365996.db2.gz OPYDWPROVFXHTF-UHFFFAOYSA-N 1 2 412.440 3.523 50 0 HHAALO O=C(Nc1ccc(Cl)cc1)c1coc(CN2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000034678299 557366624 /nfs/dbraw/zinc/36/66/24/557366624.db2.gz JZVHPNHTVMNLKL-UHFFFAOYSA-N 1 2 416.934 3.960 50 0 HHAALO Cc1ccc(C[N@@H+]2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000034687026 557370830 /nfs/dbraw/zinc/37/08/30/557370830.db2.gz AUFJTEZWYQZJTM-JOCHJYFZSA-N 1 2 424.541 3.723 50 0 HHAALO Cc1ccc(C[N@H+]2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000034687026 557370834 /nfs/dbraw/zinc/37/08/34/557370834.db2.gz AUFJTEZWYQZJTM-JOCHJYFZSA-N 1 2 424.541 3.723 50 0 HHAALO Cc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755663 557458150 /nfs/dbraw/zinc/45/81/50/557458150.db2.gz NOVYRNMFTPBGBH-UHFFFAOYSA-N 1 2 416.525 3.972 50 0 HHAALO Cc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(Oc4ccccc4)c3C2)cc1 ZINC000034755663 557458154 /nfs/dbraw/zinc/45/81/54/557458154.db2.gz NOVYRNMFTPBGBH-UHFFFAOYSA-N 1 2 416.525 3.972 50 0 HHAALO O=C(C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1)N1CCOCC1 ZINC000034906509 557473518 /nfs/dbraw/zinc/47/35/18/557473518.db2.gz RCBWPSZNKQLIKT-UHFFFAOYSA-N 1 2 410.562 3.692 50 0 HHAALO COc1ccc(C(=O)NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000004324694 557541515 /nfs/dbraw/zinc/54/15/15/557541515.db2.gz FOOKSOTZDZCFMB-UHFFFAOYSA-N 1 2 406.885 3.891 50 0 HHAALO O=C(Cc1cccs1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022673991 557737468 /nfs/dbraw/zinc/73/74/68/557737468.db2.gz YLNMKYRSYMHXOX-UHFFFAOYSA-N 1 2 401.557 3.656 50 0 HHAALO O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022767555 557815250 /nfs/dbraw/zinc/81/52/50/557815250.db2.gz PONJFLVOMYJPEA-QFIPXVFZSA-N 1 2 412.580 3.967 50 0 HHAALO O=S(=O)(Cc1ccccc1)NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022767555 557815253 /nfs/dbraw/zinc/81/52/53/557815253.db2.gz PONJFLVOMYJPEA-QFIPXVFZSA-N 1 2 412.580 3.967 50 0 HHAALO O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019924399 558307659 /nfs/dbraw/zinc/30/76/59/558307659.db2.gz DUZGCGOGSVVQPL-UHFFFAOYSA-N 1 2 418.868 3.865 50 0 HHAALO CC1(C)[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[C@H]1C=C(Cl)Cl ZINC000019973804 558316847 /nfs/dbraw/zinc/31/68/47/558316847.db2.gz DNKCFIFHOSXMKJ-KDOFPFPSSA-N 1 2 411.329 3.651 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c(OC)c1 ZINC000020082186 558330788 /nfs/dbraw/zinc/33/07/88/558330788.db2.gz ASVUGFSTHMYMMZ-UHFFFAOYSA-N 1 2 420.509 3.580 50 0 HHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2C1 ZINC000020289920 558353827 /nfs/dbraw/zinc/35/38/27/558353827.db2.gz ZUUKTHSRILHXAQ-UHFFFAOYSA-N 1 2 412.515 3.526 50 0 HHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2C1 ZINC000020289920 558353828 /nfs/dbraw/zinc/35/38/28/558353828.db2.gz ZUUKTHSRILHXAQ-UHFFFAOYSA-N 1 2 412.515 3.526 50 0 HHAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000020325694 558355596 /nfs/dbraw/zinc/35/55/96/558355596.db2.gz DFSFVUXGEZLUJK-FQEVSTJZSA-N 1 2 416.949 3.803 50 0 HHAALO Cc1ccccc1-c1cc(C(=O)NCC[NH+]2CCOCC2)c2cccc(Cl)c2n1 ZINC000020419091 558361903 /nfs/dbraw/zinc/36/19/03/558361903.db2.gz WTQLIGGXDVHKRC-UHFFFAOYSA-N 1 2 409.917 3.926 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Cc4ccccc4)C3)n2)cc1 ZINC000012314403 558377794 /nfs/dbraw/zinc/37/77/94/558377794.db2.gz NUTPFWFBSJRZBF-FQEVSTJZSA-N 1 2 419.481 3.547 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Cc4ccccc4)C3)n2)cc1 ZINC000012314403 558377797 /nfs/dbraw/zinc/37/77/97/558377797.db2.gz NUTPFWFBSJRZBF-FQEVSTJZSA-N 1 2 419.481 3.547 50 0 HHAALO CC(C)Cc1nc2oc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCCC2 ZINC000020517781 558383099 /nfs/dbraw/zinc/38/30/99/558383099.db2.gz PEWYGWIMWDIJOG-UHFFFAOYSA-N 1 2 409.534 3.592 50 0 HHAALO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000020616214 558392930 /nfs/dbraw/zinc/39/29/30/558392930.db2.gz NYDDUQGUAZVOEJ-UHFFFAOYSA-N 1 2 423.488 3.968 50 0 HHAALO O=C(CS[C@H]1CCc2ccccc2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020730258 558406205 /nfs/dbraw/zinc/40/62/05/558406205.db2.gz KXWODQUFHKBJMF-NRFANRHFSA-N 1 2 409.555 3.667 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCc2ccccc2)c(C)c1 ZINC000004341753 558425427 /nfs/dbraw/zinc/42/54/27/558425427.db2.gz YGPCBDXSSPALKN-UHFFFAOYSA-N 1 2 403.511 3.841 50 0 HHAALO COc1cc(CCC2CC[NH+](Cc3nnnn3-c3ccccc3)CC2)cc(OC)c1 ZINC000021396408 558437711 /nfs/dbraw/zinc/43/77/11/558437711.db2.gz GGOURTIRXJRXNV-UHFFFAOYSA-N 1 2 407.518 3.524 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc(Br)c1)c1ccccc1F ZINC000012627933 558440521 /nfs/dbraw/zinc/44/05/21/558440521.db2.gz YVCDGFWGBZCYAI-GOSISDBHSA-N 1 2 418.266 3.606 50 0 HHAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000021548970 558441411 /nfs/dbraw/zinc/44/14/11/558441411.db2.gz YSEANJLQDXZLFV-IBGZPJMESA-N 1 2 418.324 3.756 50 0 HHAALO COc1ccc([C@H](NC(=O)c2cc(C)nc3c2cnn3C(C)C)c2[nH+]ccn2C)cc1 ZINC000010809099 558457076 /nfs/dbraw/zinc/45/70/76/558457076.db2.gz RPDPQIKQTCLYSU-FQEVSTJZSA-N 1 2 418.501 3.582 50 0 HHAALO Cc1cc(N2CCN(CC(=O)N[C@H](c3ccccc3)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000013010834 558503188 /nfs/dbraw/zinc/50/31/88/558503188.db2.gz VDWNWOLVRYZBAI-QHCPKHFHSA-N 1 2 409.578 3.544 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1OC ZINC000022785516 558510804 /nfs/dbraw/zinc/51/08/04/558510804.db2.gz CQBDWFHLLBXOQU-SFHVURJKSA-N 1 2 421.541 3.883 50 0 HHAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)c3c(C)[nH]c4ccccc43)CC2)cc1OC ZINC000022785516 558510807 /nfs/dbraw/zinc/51/08/07/558510807.db2.gz CQBDWFHLLBXOQU-SFHVURJKSA-N 1 2 421.541 3.883 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000022916682 558521665 /nfs/dbraw/zinc/52/16/65/558521665.db2.gz LPEPORMHZYNKGU-ZDUSSCGKSA-N 1 2 413.852 3.679 50 0 HHAALO C[C@@H]1C[NH+](CCNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C[C@@H](C)O1 ZINC000023111005 558534621 /nfs/dbraw/zinc/53/46/21/558534621.db2.gz VUAOHTDBADETJC-IAGOWNOFSA-N 1 2 424.570 3.694 50 0 HHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)sc2C1 ZINC000023607592 558563459 /nfs/dbraw/zinc/56/34/59/558563459.db2.gz DXLBPAJWFPTLAC-UHFFFAOYSA-N 1 2 413.524 3.883 50 0 HHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)sc2C1 ZINC000023607592 558563462 /nfs/dbraw/zinc/56/34/62/558563462.db2.gz DXLBPAJWFPTLAC-UHFFFAOYSA-N 1 2 413.524 3.883 50 0 HHAALO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000023736408 558572204 /nfs/dbraw/zinc/57/22/04/558572204.db2.gz SGIBUDQNJWYBBJ-UHFFFAOYSA-N 1 2 406.526 3.683 50 0 HHAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 ZINC000023845619 558577659 /nfs/dbraw/zinc/57/76/59/558577659.db2.gz AOQORVBYWAANDT-UHFFFAOYSA-N 1 2 407.514 3.630 50 0 HHAALO C[C@]1(c2cc3ccccc3o2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023867019 558578690 /nfs/dbraw/zinc/57/86/90/558578690.db2.gz SJRCTKUDPWQUGJ-XMMPIXPASA-N 1 2 401.466 3.947 50 0 HHAALO C[C@]1(c2cc3ccccc3o2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023867019 558578692 /nfs/dbraw/zinc/57/86/92/558578692.db2.gz SJRCTKUDPWQUGJ-XMMPIXPASA-N 1 2 401.466 3.947 50 0 HHAALO Cc1ccsc1C[N@H+](C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000023909023 558581374 /nfs/dbraw/zinc/58/13/74/558581374.db2.gz QVVRDEYJNXQLBY-UHFFFAOYSA-N 1 2 405.523 3.941 50 0 HHAALO Cc1ccsc1C[N@@H+](C)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000023909023 558581378 /nfs/dbraw/zinc/58/13/78/558581378.db2.gz QVVRDEYJNXQLBY-UHFFFAOYSA-N 1 2 405.523 3.941 50 0 HHAALO O=C(c1ccc(COc2ccccc2)o1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023989882 558583540 /nfs/dbraw/zinc/58/35/40/558583540.db2.gz BDIPIRVUGODBCU-UHFFFAOYSA-N 1 2 418.493 3.752 50 0 HHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000024209571 558592255 /nfs/dbraw/zinc/59/22/55/558592255.db2.gz OBRVPEASYNJICM-NRFANRHFSA-N 1 2 402.922 3.525 50 0 HHAALO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000024601269 558602207 /nfs/dbraw/zinc/60/22/07/558602207.db2.gz XGMWZDFBAZYBTB-UHFFFAOYSA-N 1 2 418.541 3.688 50 0 HHAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)NC1CCCC1 ZINC000004500413 558612652 /nfs/dbraw/zinc/61/26/52/558612652.db2.gz NDMDWXXFVSWENK-ZIAGYGMSSA-N 1 2 405.543 3.568 50 0 HHAALO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000024970457 558623117 /nfs/dbraw/zinc/62/31/17/558623117.db2.gz LBJMUSJSEVIINA-INIZCTEOSA-N 1 2 406.452 3.866 50 0 HHAALO C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1=O ZINC000014251286 558650170 /nfs/dbraw/zinc/65/01/70/558650170.db2.gz XCGPBHAVQJLXSU-FQEVSTJZSA-N 1 2 418.950 3.807 50 0 HHAALO C[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026284023 558658392 /nfs/dbraw/zinc/65/83/92/558658392.db2.gz HHOZHXCDYSSOJV-INIZCTEOSA-N 1 2 414.937 3.803 50 0 HHAALO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026458802 558661489 /nfs/dbraw/zinc/66/14/89/558661489.db2.gz MLFYVUANGHUFOU-KRWDZBQOSA-N 1 2 417.296 3.604 50 0 HHAALO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000026458802 558661492 /nfs/dbraw/zinc/66/14/92/558661492.db2.gz MLFYVUANGHUFOU-KRWDZBQOSA-N 1 2 417.296 3.604 50 0 HHAALO CC[C@H]1C[N@H+](CCNC(=O)c2c(F)cccc2Cl)Cc2cc(OC)ccc2O1 ZINC000014994446 558695701 /nfs/dbraw/zinc/69/57/01/558695701.db2.gz ZJLWOFPOEWNDFG-HNNXBMFYSA-N 1 2 406.885 3.891 50 0 HHAALO CC[C@H]1C[N@@H+](CCNC(=O)c2c(F)cccc2Cl)Cc2cc(OC)ccc2O1 ZINC000014994446 558695703 /nfs/dbraw/zinc/69/57/03/558695703.db2.gz ZJLWOFPOEWNDFG-HNNXBMFYSA-N 1 2 406.885 3.891 50 0 HHAALO CC(C)Cn1c(=O)c(C[NH2+]Cc2cnn(-c3ccccc3)n2)cc2ccc(F)cc21 ZINC000014998718 558696848 /nfs/dbraw/zinc/69/68/48/558696848.db2.gz BYAHLRMMNVVMCF-UHFFFAOYSA-N 1 2 405.477 3.667 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015996526 558765861 /nfs/dbraw/zinc/76/58/61/558765861.db2.gz ZWENXHJKUWVJNI-AFXVXQJMSA-N 1 2 424.456 3.674 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015996526 558765863 /nfs/dbraw/zinc/76/58/63/558765863.db2.gz ZWENXHJKUWVJNI-AFXVXQJMSA-N 1 2 424.456 3.674 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015998981 558766026 /nfs/dbraw/zinc/76/60/26/558766026.db2.gz PUYXGBKMVCVGDK-CBPXPLCBSA-N 1 2 416.477 3.806 50 0 HHAALO O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015998981 558766030 /nfs/dbraw/zinc/76/60/30/558766030.db2.gz PUYXGBKMVCVGDK-CBPXPLCBSA-N 1 2 416.477 3.806 50 0 HHAALO C[N@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1ccc(Cl)nc1 ZINC000072308169 558768734 /nfs/dbraw/zinc/76/87/34/558768734.db2.gz GFFOJENIKHSSNO-UHFFFAOYSA-N 1 2 415.921 3.524 50 0 HHAALO C[N@@H+](CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)Cc1ccc(Cl)nc1 ZINC000072308169 558768736 /nfs/dbraw/zinc/76/87/36/558768736.db2.gz GFFOJENIKHSSNO-UHFFFAOYSA-N 1 2 415.921 3.524 50 0 HHAALO Fc1cc(F)c(F)c(OCc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)c1F ZINC000017089766 558818320 /nfs/dbraw/zinc/81/83/20/558818320.db2.gz RRXQTVYASLSRRJ-UHFFFAOYSA-N 1 2 414.322 3.803 50 0 HHAALO O=C(NC1CCCCC1)[C@H]1CCCN(c2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC000033071322 558866617 /nfs/dbraw/zinc/86/66/17/558866617.db2.gz SGCGBKCUDLOKSK-ZDUSSCGKSA-N 1 2 405.340 3.991 50 0 HHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019371405 558879182 /nfs/dbraw/zinc/87/91/82/558879182.db2.gz QWLZGIAFGFQUEL-SFHVURJKSA-N 1 2 419.525 3.902 50 0 HHAALO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019371405 558879183 /nfs/dbraw/zinc/87/91/83/558879183.db2.gz QWLZGIAFGFQUEL-SFHVURJKSA-N 1 2 419.525 3.902 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(Cl)cc1 ZINC000033161232 558895991 /nfs/dbraw/zinc/89/59/91/558895991.db2.gz VBRVSCWWAIEPJE-RTBURBONSA-N 1 2 412.852 3.611 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000058157968 558903460 /nfs/dbraw/zinc/90/34/60/558903460.db2.gz JFFJIPWSFOQKEU-UHFFFAOYSA-N 1 2 409.534 3.620 50 0 HHAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)c1 ZINC000058172428 558908399 /nfs/dbraw/zinc/90/83/99/558908399.db2.gz OGAZZNRAZOGXBJ-UHFFFAOYSA-N 1 2 422.573 3.836 50 0 HHAALO Fc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Br ZINC000019536750 558913967 /nfs/dbraw/zinc/91/39/67/558913967.db2.gz JBNWLPUVYVVFRJ-UHFFFAOYSA-N 1 2 407.283 3.635 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000058281062 558916429 /nfs/dbraw/zinc/91/64/29/558916429.db2.gz CIRTUEYLRAVLIF-LJQANCHMSA-N 1 2 406.490 3.767 50 0 HHAALO O=C(NC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1)Nc1ccccc1 ZINC000058357666 558921683 /nfs/dbraw/zinc/92/16/83/558921683.db2.gz ZEAXEZSPNHEZDJ-GOSISDBHSA-N 1 2 408.531 3.776 50 0 HHAALO O=C(NC[C@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1)Nc1ccccc1 ZINC000058357666 558921686 /nfs/dbraw/zinc/92/16/86/558921686.db2.gz ZEAXEZSPNHEZDJ-GOSISDBHSA-N 1 2 408.531 3.776 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000058393467 558923720 /nfs/dbraw/zinc/92/37/20/558923720.db2.gz RRJLMDWKXJGDOB-ZDUSSCGKSA-N 1 2 411.468 3.592 50 0 HHAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000019595035 558945834 /nfs/dbraw/zinc/94/58/34/558945834.db2.gz ZGMQTMDJMLCSGY-UHFFFAOYSA-N 1 2 408.420 3.681 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cncnc2)nc2c(C)cc(C)cc12 ZINC000063869525 558960245 /nfs/dbraw/zinc/96/02/45/558960245.db2.gz WZGDFJRGONHBMR-UHFFFAOYSA-N 1 2 400.486 3.704 50 0 HHAALO O=C(Cc1ccccc1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997477 558981872 /nfs/dbraw/zinc/98/18/72/558981872.db2.gz CELFTEYPFVZBOW-UHFFFAOYSA-N 1 2 413.518 3.733 50 0 HHAALO O=c1[nH]c2cc3nc(-c4cc(Cl)ccc4OCCCn4cc[nH+]c4)[nH]c3cc2[nH]1 ZINC000067773165 558992595 /nfs/dbraw/zinc/99/25/95/558992595.db2.gz PIZLKFAPHWVHLR-UHFFFAOYSA-N 1 2 408.849 3.719 50 0 HHAALO C[C@H](NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000033312842 559054981 /nfs/dbraw/zinc/05/49/81/559054981.db2.gz VMIPUFMSZKLWEW-CPJSRVTESA-N 1 2 419.569 3.722 50 0 HHAALO C[C@H](NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C(=O)N1CCC(C)CC1)c1ccccc1 ZINC000033312842 559054983 /nfs/dbraw/zinc/05/49/83/559054983.db2.gz VMIPUFMSZKLWEW-CPJSRVTESA-N 1 2 419.569 3.722 50 0 HHAALO Cc1ccc(C)c(N2CC[NH+](CCCn3c(=O)c4ccccc4[nH]c3=S)CC2)c1 ZINC000004792393 559065911 /nfs/dbraw/zinc/06/59/11/559065911.db2.gz VLSOADMBKSVONF-UHFFFAOYSA-N 1 2 408.571 3.888 50 0 HHAALO CC(C)OC(=O)CSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000011416386 559073873 /nfs/dbraw/zinc/07/38/73/559073873.db2.gz BNNGNQODNKOTHV-HNNXBMFYSA-N 1 2 406.527 3.997 50 0 HHAALO CCn1cnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095525906 559085989 /nfs/dbraw/zinc/08/59/89/559085989.db2.gz QBBBWHFBQFLLQE-IBGZPJMESA-N 1 2 403.530 3.607 50 0 HHAALO CCn1cnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000095525906 559085991 /nfs/dbraw/zinc/08/59/91/559085991.db2.gz QBBBWHFBQFLLQE-IBGZPJMESA-N 1 2 403.530 3.607 50 0 HHAALO Cc1nc2cc(F)ccc2cc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000011526579 559087594 /nfs/dbraw/zinc/08/75/94/559087594.db2.gz GWBDIPXSOPXGEW-UHFFFAOYSA-N 1 2 420.488 3.515 50 0 HHAALO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)c1 ZINC000100804635 559141028 /nfs/dbraw/zinc/14/10/28/559141028.db2.gz JGFNPVCPFIFKBP-IBGZPJMESA-N 1 2 418.324 3.756 50 0 HHAALO Fc1cccc(Cl)c1C[NH+]1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000023451243 559174807 /nfs/dbraw/zinc/17/48/07/559174807.db2.gz JVYVTEBRVHBQIB-UHFFFAOYSA-N 1 2 422.895 3.906 50 0 HHAALO Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCCCn3cc[nH+]c3)c(Cl)c12 ZINC000005313846 560564416 /nfs/dbraw/zinc/56/44/16/560564416.db2.gz TYWBMNWWJUNIGY-UHFFFAOYSA-N 1 2 412.856 3.538 50 0 HHAALO CN(C)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000005477949 560594929 /nfs/dbraw/zinc/59/49/29/560594929.db2.gz RZGPDUBKAYQFCY-UHFFFAOYSA-N 1 2 418.526 3.671 50 0 HHAALO Cc1ccc2nc(-c3ccc(N4C(=[NH2+])S[C@H]5CS(=O)(=O)C[C@H]54)cc3)sc2c1 ZINC000005488704 560597761 /nfs/dbraw/zinc/59/77/61/560597761.db2.gz ZNMWSWKDSXGIKF-WBVHZDCISA-N 1 2 415.565 3.925 50 0 aggregator HHAALO O=C1CCCCCN1C[C@H]([NH2+]Cc1csc(-c2ncccn2)n1)c1ccccc1 ZINC000062580765 560631613 /nfs/dbraw/zinc/63/16/13/560631613.db2.gz XQASSOQIUFUPNC-IBGZPJMESA-N 1 2 407.543 3.834 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000100834488 560759637 /nfs/dbraw/zinc/75/96/37/560759637.db2.gz RRVQBSIBMVQEEV-IRLDBZIGSA-N 1 2 415.424 3.617 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4ccccc4F)C(=O)[C@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000100870155 560760488 /nfs/dbraw/zinc/76/04/88/560760488.db2.gz DRKRIHLARXGZMC-IRLDBZIGSA-N 1 2 415.424 3.617 50 0 HHAALO Cc1[nH+]c2ccccc2n1CC(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000048324807 568438417 /nfs/dbraw/zinc/43/84/17/568438417.db2.gz BFNVNKCHKBNRFZ-UHFFFAOYSA-N 1 2 412.534 3.735 50 0 HHAALO Cc1nn(-c2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)c(C)c1Br ZINC000048326849 568439706 /nfs/dbraw/zinc/43/97/06/568439706.db2.gz WWKIMMWPNJGBBU-UHFFFAOYSA-N 1 2 424.302 3.829 50 0 HHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1 ZINC000024787279 568463157 /nfs/dbraw/zinc/46/31/57/568463157.db2.gz GOMGDPJICSIXJE-UHFFFAOYSA-N 1 2 417.513 3.577 50 0 HHAALO COc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)[NH+]=C3N=CNN32)ccc1C ZINC000220976324 568509285 /nfs/dbraw/zinc/50/92/85/568509285.db2.gz WZDODIRBHORHOG-OAQYLSRUSA-N 1 2 403.486 3.792 50 0 HHAALO C[C@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288950 568597764 /nfs/dbraw/zinc/59/77/64/568597764.db2.gz LENHHZAUIWTXAM-JTSKRJEESA-N 1 2 424.545 3.964 50 0 HHAALO Cc1cc(C)c2c(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C ZINC000020412490 568605474 /nfs/dbraw/zinc/60/54/74/568605474.db2.gz RURGSMZFQYJSPI-UHFFFAOYSA-N 1 2 420.509 3.765 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000020485684 568612875 /nfs/dbraw/zinc/61/28/75/568612875.db2.gz XTFONEFLPIUPRW-HSZRJFAPSA-N 1 2 410.537 3.781 50 0 HHAALO Cc1cc(C)cc(OC[C@@H](O)CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000095454683 568616414 /nfs/dbraw/zinc/61/64/14/568616414.db2.gz NAXIZMSKKWOSON-QFIPXVFZSA-N 1 2 405.542 3.541 50 0 HHAALO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000095454683 568616417 /nfs/dbraw/zinc/61/64/17/568616417.db2.gz NAXIZMSKKWOSON-QFIPXVFZSA-N 1 2 405.542 3.541 50 0 HHAALO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000095454683 568616419 /nfs/dbraw/zinc/61/64/19/568616419.db2.gz NAXIZMSKKWOSON-QFIPXVFZSA-N 1 2 405.542 3.541 50 0 HHAALO CCn1cc[nH+]c1CN(C(=O)C(C)C)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000225669161 568662269 /nfs/dbraw/zinc/66/22/69/568662269.db2.gz KNJRCZOOZMMQJL-KRWDZBQOSA-N 1 2 404.555 3.677 50 0 HHAALO Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(c4[nH]c5ccccc5[nH+]4)C3)C[C@@H]2C)c1 ZINC000021159231 568674056 /nfs/dbraw/zinc/67/40/56/568674056.db2.gz AWMFUDAQVSLFDF-VQTJNVASSA-N 1 2 417.557 3.825 50 0 HHAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000021261983 568685657 /nfs/dbraw/zinc/68/56/57/568685657.db2.gz UNXQZRKBNFWLDQ-UHFFFAOYSA-N 1 2 418.497 3.948 50 0 HHAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000021261983 568685658 /nfs/dbraw/zinc/68/56/58/568685658.db2.gz UNXQZRKBNFWLDQ-UHFFFAOYSA-N 1 2 418.497 3.948 50 0 HHAALO CC(C)n1c(CCCCCNC(=O)c2cnc3sccn3c2=O)[nH+]c2ccccc21 ZINC000096231338 568707282 /nfs/dbraw/zinc/70/72/82/568707282.db2.gz SHTDYXUYBOUSQV-UHFFFAOYSA-N 1 2 423.542 3.829 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000096316859 568725928 /nfs/dbraw/zinc/72/59/28/568725928.db2.gz VWBVHNFARRXJQB-UHFFFAOYSA-N 1 2 422.554 3.717 50 0 HHAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)N(C)C)CC2)c1Cc1cc(C)ccc1C ZINC000096317343 568726502 /nfs/dbraw/zinc/72/65/02/568726502.db2.gz NLTSJOBAGOIWSO-UHFFFAOYSA-N 1 2 421.589 3.928 50 0 HHAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000096317326 568726586 /nfs/dbraw/zinc/72/65/86/568726586.db2.gz SHCCCHUBQIUXBP-UHFFFAOYSA-N 1 2 409.578 3.686 50 0 HHAALO C[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCN1C(=O)OC(C)(C)C ZINC000241465996 568731243 /nfs/dbraw/zinc/73/12/43/568731243.db2.gz NTSIXYCCMDKUEO-WBVHZDCISA-N 1 2 416.497 3.663 50 0 HHAALO CCOc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000882845 568737852 /nfs/dbraw/zinc/73/78/52/568737852.db2.gz OMPNBIRRUQIFHF-UHFFFAOYSA-N 1 2 405.483 3.945 50 0 HHAALO COc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724608 568751348 /nfs/dbraw/zinc/75/13/48/568751348.db2.gz KZODFBBFGLXYOC-FQEVSTJZSA-N 1 2 420.513 3.582 50 0 HHAALO COc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724608 568751351 /nfs/dbraw/zinc/75/13/51/568751351.db2.gz KZODFBBFGLXYOC-FQEVSTJZSA-N 1 2 420.513 3.582 50 0 HHAALO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724778 568751399 /nfs/dbraw/zinc/75/13/99/568751399.db2.gz IRGYUWGNNMNRFM-GOSISDBHSA-N 1 2 406.486 3.904 50 0 HHAALO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724778 568751401 /nfs/dbraw/zinc/75/14/01/568751401.db2.gz IRGYUWGNNMNRFM-GOSISDBHSA-N 1 2 406.486 3.904 50 0 HHAALO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CC[NH+]1CCOCC1 ZINC000025329346 568763260 /nfs/dbraw/zinc/76/32/60/568763260.db2.gz UEDLUNPOXYSDNU-UHFFFAOYSA-N 1 2 422.934 3.906 50 0 HHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000022064095 568764564 /nfs/dbraw/zinc/76/45/64/568764564.db2.gz UXPUQSAXXRGCFF-KRWDZBQOSA-N 1 2 408.571 3.845 50 0 HHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000022064095 568764565 /nfs/dbraw/zinc/76/45/65/568764565.db2.gz UXPUQSAXXRGCFF-KRWDZBQOSA-N 1 2 408.571 3.845 50 0 HHAALO COC(=O)c1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2Br)oc1C ZINC000096993046 568766172 /nfs/dbraw/zinc/76/61/72/568766172.db2.gz LPENINKWPUHBQZ-UHFFFAOYSA-N 1 2 409.280 3.516 50 0 HHAALO COC(=O)c1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)oc1C ZINC000096993046 568766174 /nfs/dbraw/zinc/76/61/74/568766174.db2.gz LPENINKWPUHBQZ-UHFFFAOYSA-N 1 2 409.280 3.516 50 0 HHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccc(F)cc2)CC1 ZINC000022460542 568768518 /nfs/dbraw/zinc/76/85/18/568768518.db2.gz SIFYLFCERPLKRX-BEFAXECRSA-N 1 2 406.596 3.941 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C(C)C)cc1)N1CC[NH+](CC)CC1)S2 ZINC000022578109 568770085 /nfs/dbraw/zinc/77/00/85/568770085.db2.gz ILKLQSPMHNTUMB-IBGZPJMESA-N 1 2 413.591 3.909 50 0 HHAALO COc1ccc(Br)cc1CCC(=O)NC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000225629811 568777135 /nfs/dbraw/zinc/77/71/35/568777135.db2.gz OBWJUMAGFYKPLM-KRWDZBQOSA-N 1 2 418.335 3.571 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028065680 568779083 /nfs/dbraw/zinc/77/90/83/568779083.db2.gz NDUJPHPWDKLATB-ZDUSSCGKSA-N 1 2 412.843 3.903 50 0 HHAALO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000056491192 568808445 /nfs/dbraw/zinc/80/84/45/568808445.db2.gz MJZSQPGJMFUYLF-UHFFFAOYSA-N 1 2 408.420 3.594 50 0 HHAALO CC[N@H+](CCCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccc(C)c1 ZINC000002927635 568817800 /nfs/dbraw/zinc/81/78/00/568817800.db2.gz IEQCXCNKHFMRGJ-UHFFFAOYSA-N 1 2 401.894 3.589 50 0 biogenic HHAALO CC[N@@H+](CCCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21)c1cccc(C)c1 ZINC000002927635 568817801 /nfs/dbraw/zinc/81/78/01/568817801.db2.gz IEQCXCNKHFMRGJ-UHFFFAOYSA-N 1 2 401.894 3.589 50 0 biogenic HHAALO CCc1[nH+]c(SCC(=O)NCCCOC(C)C)nc(N)c1-c1ccc(Cl)cc1 ZINC000025589093 568822997 /nfs/dbraw/zinc/82/29/97/568822997.db2.gz NBUGLEFFWDRAHP-UHFFFAOYSA-N 1 2 422.982 3.965 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC000057327180 568827077 /nfs/dbraw/zinc/82/70/77/568827077.db2.gz KFSUZEJFDIHNLN-KRWDZBQOSA-N 1 2 415.559 3.716 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC000057327180 568827079 /nfs/dbraw/zinc/82/70/79/568827079.db2.gz KFSUZEJFDIHNLN-KRWDZBQOSA-N 1 2 415.559 3.716 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)NC1CCCCC1 ZINC000057473867 568839323 /nfs/dbraw/zinc/83/93/23/568839323.db2.gz UCGFHLPEAQNSIJ-QGZVFWFLSA-N 1 2 400.548 3.982 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)NC1CCCCC1 ZINC000057473867 568839324 /nfs/dbraw/zinc/83/93/24/568839324.db2.gz UCGFHLPEAQNSIJ-QGZVFWFLSA-N 1 2 400.548 3.982 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478405 568839709 /nfs/dbraw/zinc/83/97/09/568839709.db2.gz TVELQLYLOVJXOR-HSZRJFAPSA-N 1 2 421.541 3.942 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478405 568839710 /nfs/dbraw/zinc/83/97/10/568839710.db2.gz TVELQLYLOVJXOR-HSZRJFAPSA-N 1 2 421.541 3.942 50 0 HHAALO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000012520692 568841326 /nfs/dbraw/zinc/84/13/26/568841326.db2.gz HPOWNHBJZFHBLF-UHFFFAOYSA-N 1 2 414.531 3.671 50 0 HHAALO Cc1csc(NC(=O)CSc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)n1 ZINC000004251308 568955135 /nfs/dbraw/zinc/95/51/35/568955135.db2.gz KRWMCWBOOBWIDU-UHFFFAOYSA-N 1 2 408.512 3.825 50 0 HHAALO CNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)c1 ZINC000008005319 568967910 /nfs/dbraw/zinc/96/79/10/568967910.db2.gz STBQGRIWZWCNMP-SFHVURJKSA-N 1 2 408.527 3.822 50 0 HHAALO CNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3s2)c1 ZINC000008005319 568967912 /nfs/dbraw/zinc/96/79/12/568967912.db2.gz STBQGRIWZWCNMP-SFHVURJKSA-N 1 2 408.527 3.822 50 0 HHAALO CSc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000008092358 568973468 /nfs/dbraw/zinc/97/34/68/568973468.db2.gz AHCINEQNHFEYRI-UHFFFAOYSA-N 1 2 403.573 3.518 50 0 HHAALO CSc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000008092358 568973470 /nfs/dbraw/zinc/97/34/70/568973470.db2.gz AHCINEQNHFEYRI-UHFFFAOYSA-N 1 2 403.573 3.518 50 0 HHAALO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c(Cl)c1 ZINC000012808848 568980739 /nfs/dbraw/zinc/98/07/39/568980739.db2.gz XVWAFCAOKNHJFV-UHFFFAOYSA-N 1 2 413.949 3.924 50 0 HHAALO COc1ccccc1C(=O)Nc1ccc(Nc2cc(-n3cccn3)nc(C)[nH+]2)cc1 ZINC000038488254 568997528 /nfs/dbraw/zinc/99/75/28/568997528.db2.gz NVPFJACYYKBFTR-UHFFFAOYSA-N 1 2 400.442 3.975 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)cc1 ZINC000015779055 569001771 /nfs/dbraw/zinc/00/17/71/569001771.db2.gz DTZQRMNSBAFKAV-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1ccc(C[N@H+]2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)cc1 ZINC000015779055 569001774 /nfs/dbraw/zinc/00/17/74/569001774.db2.gz DTZQRMNSBAFKAV-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO CCOc1cccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779196 569001837 /nfs/dbraw/zinc/00/18/37/569001837.db2.gz AVFDWKCRKHGVDG-UHFFFAOYSA-N 1 2 404.470 3.906 50 0 HHAALO CCOc1cccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779196 569001839 /nfs/dbraw/zinc/00/18/39/569001839.db2.gz AVFDWKCRKHGVDG-UHFFFAOYSA-N 1 2 404.470 3.906 50 0 HHAALO CC[C@@H](C(=O)N1CC[NH+](Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC1)c1ccccc1 ZINC000015865386 569016614 /nfs/dbraw/zinc/01/66/14/569016614.db2.gz AJYYAYWCZNWCTM-JOCHJYFZSA-N 1 2 417.553 3.983 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc2c(c1)OCCO2 ZINC000015880222 569017971 /nfs/dbraw/zinc/01/79/71/569017971.db2.gz XIOJJGJHLYKQNA-UHFFFAOYSA-N 1 2 407.495 3.725 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc2c(c1)OCCO2 ZINC000015880222 569017972 /nfs/dbraw/zinc/01/79/72/569017972.db2.gz XIOJJGJHLYKQNA-UHFFFAOYSA-N 1 2 407.495 3.725 50 0 HHAALO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(F)cccc1F ZINC000012906791 569021384 /nfs/dbraw/zinc/02/13/84/569021384.db2.gz VEXWRNMCOPNDNV-UHFFFAOYSA-N 1 2 414.378 3.529 50 0 HHAALO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(F)cccc1F ZINC000012906791 569021385 /nfs/dbraw/zinc/02/13/85/569021385.db2.gz VEXWRNMCOPNDNV-UHFFFAOYSA-N 1 2 414.378 3.529 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000016103622 569028955 /nfs/dbraw/zinc/02/89/55/569028955.db2.gz DJRBSQIYDPMCMN-UHFFFAOYSA-N 1 2 418.545 3.673 50 0 HHAALO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@@H+]3CCC[C@H](C)C3)c(=S)o2)c1 ZINC000006208988 569033086 /nfs/dbraw/zinc/03/30/86/569033086.db2.gz PIMFLGKOLUGVKH-HNNXBMFYSA-N 1 2 424.592 3.592 50 0 HHAALO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[N@H+]3CCC[C@H](C)C3)c(=S)o2)c1 ZINC000006208988 569033087 /nfs/dbraw/zinc/03/30/87/569033087.db2.gz PIMFLGKOLUGVKH-HNNXBMFYSA-N 1 2 424.592 3.592 50 0 HHAALO CCOc1ccccc1CNC(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404189 569035729 /nfs/dbraw/zinc/03/57/29/569035729.db2.gz UXBGTRFKPHNALS-UHFFFAOYSA-N 1 2 416.525 3.677 50 0 HHAALO CCOc1ccccc1CNC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404189 569035730 /nfs/dbraw/zinc/03/57/30/569035730.db2.gz UXBGTRFKPHNALS-UHFFFAOYSA-N 1 2 416.525 3.677 50 0 HHAALO Cc1cccc(C)c1NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1C ZINC000035531654 569044368 /nfs/dbraw/zinc/04/43/68/569044368.db2.gz SVZMSSOUVCYBMH-UHFFFAOYSA-N 1 2 420.542 3.824 50 0 HHAALO Cn1c(-c2nc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc2ccccc21 ZINC000035598447 569045898 /nfs/dbraw/zinc/04/58/98/569045898.db2.gz WSRHBGCMVVXDGH-UHFFFAOYSA-N 1 2 403.511 3.659 50 0 HHAALO Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000013012376 569050610 /nfs/dbraw/zinc/05/06/10/569050610.db2.gz AMWFXWSMZBPMNK-UHFFFAOYSA-N 1 2 420.509 3.929 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000241644645 569054877 /nfs/dbraw/zinc/05/48/77/569054877.db2.gz PSKMPSSVWDXAFA-KXBFYZLASA-N 1 2 415.515 3.658 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000241644645 569054878 /nfs/dbraw/zinc/05/48/78/569054878.db2.gz PSKMPSSVWDXAFA-KXBFYZLASA-N 1 2 415.515 3.658 50 0 HHAALO O=C(c1ccc(SC(F)(F)F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026935136 569061326 /nfs/dbraw/zinc/06/13/26/569061326.db2.gz XDJKJAAOYHLGDZ-UHFFFAOYSA-N 1 2 424.444 3.985 50 0 HHAALO CCN(Cc1cccnc1)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426407509 569072789 /nfs/dbraw/zinc/07/27/89/569072789.db2.gz ILGCDMRWJKLCDH-UHFFFAOYSA-N 1 2 410.543 3.969 50 0 HHAALO CCN(Cc1cccnc1)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426407509 569072790 /nfs/dbraw/zinc/07/27/90/569072790.db2.gz ILGCDMRWJKLCDH-UHFFFAOYSA-N 1 2 410.543 3.969 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCc4cccnc4)csc3C2)nc1 ZINC000426526068 569073283 /nfs/dbraw/zinc/07/32/83/569073283.db2.gz KFNWGYFFHCKQII-UHFFFAOYSA-N 1 2 406.555 3.631 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCc4cccnc4)csc3C2)nc1 ZINC000426526068 569073284 /nfs/dbraw/zinc/07/32/84/569073284.db2.gz KFNWGYFFHCKQII-UHFFFAOYSA-N 1 2 406.555 3.631 50 0 HHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCc3ccc(O)cc3)csc2C1 ZINC000426651195 569073663 /nfs/dbraw/zinc/07/36/63/569073663.db2.gz CUHPZBYEJPEXKR-UHFFFAOYSA-N 1 2 411.527 3.589 50 0 HHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCc3ccc(O)cc3)csc2C1 ZINC000426651195 569073664 /nfs/dbraw/zinc/07/36/64/569073664.db2.gz CUHPZBYEJPEXKR-UHFFFAOYSA-N 1 2 411.527 3.589 50 0 HHAALO CC(C)C[C@@H]1[NH2+]C2(CCN(C(=O)C3CCCC3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036029737 569079411 /nfs/dbraw/zinc/07/94/11/569079411.db2.gz GOGFYVSNRAQJBU-NRFANRHFSA-N 1 2 415.553 3.681 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000006651928 569081654 /nfs/dbraw/zinc/08/16/54/569081654.db2.gz PDPMDITWGAVSHB-CYBMUJFWSA-N 1 2 419.319 3.852 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1ccc(Br)cc1)CC2 ZINC000006651928 569081656 /nfs/dbraw/zinc/08/16/56/569081656.db2.gz PDPMDITWGAVSHB-CYBMUJFWSA-N 1 2 419.319 3.852 50 0 HHAALO COCCNC(=O)c1coc(C[N@H+](Cc2ccccc2)Cc2cc(C)ccc2C)n1 ZINC000036073728 569086977 /nfs/dbraw/zinc/08/69/77/569086977.db2.gz RQPTYDMBUFTBLF-UHFFFAOYSA-N 1 2 407.514 3.870 50 0 HHAALO COCCNC(=O)c1coc(C[N@@H+](Cc2ccccc2)Cc2cc(C)ccc2C)n1 ZINC000036073728 569086979 /nfs/dbraw/zinc/08/69/79/569086979.db2.gz RQPTYDMBUFTBLF-UHFFFAOYSA-N 1 2 407.514 3.870 50 0 HHAALO O=S(=O)(NCCn1c2ccccc2[nH+]c1CCc1ccccc1)c1ccccc1 ZINC000064888158 569115361 /nfs/dbraw/zinc/11/53/61/569115361.db2.gz NXAUJJZATLLFQV-UHFFFAOYSA-N 1 2 405.523 3.800 50 0 HHAALO O=C(NCC1CCCCC1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000036255118 569120297 /nfs/dbraw/zinc/12/02/97/569120297.db2.gz QVJVUFHFBMMABT-NRFANRHFSA-N 1 2 417.619 3.761 50 0 HHAALO O=C(NCc1ccccc1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccccc2)CC1 ZINC000036310414 569131680 /nfs/dbraw/zinc/13/16/80/569131680.db2.gz NDJLPDFCZRCLMB-HSZRJFAPSA-N 1 2 420.557 3.711 50 0 HHAALO O=C(Nc1ccc(F)cc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036311169 569132209 /nfs/dbraw/zinc/13/22/09/569132209.db2.gz YZSCEUGCJJNNQH-QFIPXVFZSA-N 1 2 409.505 3.781 50 0 HHAALO CCNC(=O)N1CC[NH+]([C@@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311062 569132233 /nfs/dbraw/zinc/13/22/33/569132233.db2.gz KUFSCGYGLTZAJR-OAQYLSRUSA-N 1 2 400.567 3.654 50 0 HHAALO CCn1c(C[NH2+][C@H](C)c2ccco2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000006999494 569196724 /nfs/dbraw/zinc/19/67/24/569196724.db2.gz OKNFDQNFGRPEJX-MRXNPFEDSA-N 1 2 416.547 3.675 50 0 HHAALO CCOc1ccccc1NC(=O)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000065237038 569202734 /nfs/dbraw/zinc/20/27/34/569202734.db2.gz QCOJMMXDPMXXAD-UHFFFAOYSA-N 1 2 409.534 3.721 50 0 HHAALO CCOc1ccccc1NC(=O)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000065237038 569202735 /nfs/dbraw/zinc/20/27/35/569202735.db2.gz QCOJMMXDPMXXAD-UHFFFAOYSA-N 1 2 409.534 3.721 50 0 HHAALO COc1ccc([C@@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245341 569205084 /nfs/dbraw/zinc/20/50/84/569205084.db2.gz IIVZVCJVXLGPIA-QZTJIDSGSA-N 1 2 423.561 3.934 50 0 HHAALO COc1ccc([C@@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000065245341 569205086 /nfs/dbraw/zinc/20/50/86/569205086.db2.gz IIVZVCJVXLGPIA-QZTJIDSGSA-N 1 2 423.561 3.934 50 0 HHAALO C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N1CCCCCC1 ZINC000089913775 569268359 /nfs/dbraw/zinc/26/83/59/569268359.db2.gz MEXSFTKDJAMRHJ-HOTGVXAUSA-N 1 2 419.570 3.912 50 0 HHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000017013345 569271683 /nfs/dbraw/zinc/27/16/83/569271683.db2.gz XFSNUWSVRZCGFD-UHFFFAOYSA-N 1 2 407.449 3.757 50 0 HHAALO COc1ccc(OC)c(C(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)c1 ZINC000002423131 569398264 /nfs/dbraw/zinc/39/82/64/569398264.db2.gz NFYHHACWOQFRGE-UHFFFAOYSA-N 1 2 420.494 3.867 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000002449354 569402428 /nfs/dbraw/zinc/40/24/28/569402428.db2.gz SPEPAIODHDNZAF-UHFFFAOYSA-N 1 2 411.437 3.884 50 0 HHAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000007951589 569410149 /nfs/dbraw/zinc/41/01/49/569410149.db2.gz UDKJDBDPKHPCCB-UHFFFAOYSA-N 1 2 409.530 3.542 50 0 HHAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000007951589 569410152 /nfs/dbraw/zinc/41/01/52/569410152.db2.gz UDKJDBDPKHPCCB-UHFFFAOYSA-N 1 2 409.530 3.542 50 0 HHAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000038671734 571060564 /nfs/dbraw/zinc/06/05/64/571060564.db2.gz CAYUQWMIIXQBNQ-UHFFFAOYSA-N 1 2 414.513 3.858 50 0 HHAALO CCN(Cc1ccc2c(c1)OCCO2)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040068784 571148999 /nfs/dbraw/zinc/14/89/99/571148999.db2.gz LRTCCKPYJWKFJS-QGZVFWFLSA-N 1 2 406.486 3.936 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)N[C@@H](C)c1cc(C)ccc1OC)c1[nH+]ccn1C ZINC000040071245 571152013 /nfs/dbraw/zinc/15/20/13/571152013.db2.gz OQLYEOPXHKVSQJ-HRAATJIYSA-N 1 2 408.502 3.896 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CNC(=O)Nc3ccccc3)n2)cc1 ZINC000040072436 571153022 /nfs/dbraw/zinc/15/30/22/571153022.db2.gz MSICEZQJLLXMJR-LJQANCHMSA-N 1 2 421.501 3.921 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CNC(=O)Nc3ccccc3)n2)cc1 ZINC000040072436 571153023 /nfs/dbraw/zinc/15/30/23/571153023.db2.gz MSICEZQJLLXMJR-LJQANCHMSA-N 1 2 421.501 3.921 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040095104 571161999 /nfs/dbraw/zinc/16/19/99/571161999.db2.gz JJHCGBJJVJDFIZ-UHFFFAOYSA-N 1 2 414.815 3.912 50 0 HHAALO O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000244986200 571211945 /nfs/dbraw/zinc/21/19/45/571211945.db2.gz JKANCGAWTRKFKU-INIZCTEOSA-N 1 2 415.342 3.872 50 0 HHAALO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000245236971 571219041 /nfs/dbraw/zinc/21/90/41/571219041.db2.gz AFGKGXBFNGSKOP-NQIIRXRSSA-N 1 2 411.571 3.571 50 0 HHAALO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000245236971 571219044 /nfs/dbraw/zinc/21/90/44/571219044.db2.gz AFGKGXBFNGSKOP-NQIIRXRSSA-N 1 2 411.571 3.571 50 0 HHAALO Cc1cc(C)c(NC(=O)CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c(C)c1 ZINC000009456483 571260285 /nfs/dbraw/zinc/26/02/85/571260285.db2.gz YJOXOAMLBCVEMP-UHFFFAOYSA-N 1 2 404.449 3.930 50 0 HHAALO Cc1ccc(CN2C(SCCCc3ccccc3)=[NH+][C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000009477057 571261656 /nfs/dbraw/zinc/26/16/56/571261656.db2.gz AXBGTAYQPPZYLV-SFTDATJTSA-N 1 2 414.596 3.698 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000010125623 571295327 /nfs/dbraw/zinc/29/53/27/571295327.db2.gz DJDGPHBTQRJHOH-UHFFFAOYSA-N 1 2 417.488 3.978 50 0 HHAALO COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000009715227 961671230 /nfs/dbraw/zinc/67/12/30/961671230.db2.gz FQJVHYIFHBARJM-BJMVGYQFSA-N 1 2 424.888 3.645 50 0 HHAALO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000019745117 963375452 /nfs/dbraw/zinc/37/54/52/963375452.db2.gz MKBMVPSSOJRXFZ-UHFFFAOYSA-N 1 2 421.541 3.970 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000022772664 963713146 /nfs/dbraw/zinc/71/31/46/963713146.db2.gz BFLLWPHEMIXHOU-RGFVMQALSA-N 1 2 423.557 3.710 50 0 HHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccc(C)cc1 ZINC000000697363 132231027 /nfs/dbraw/zinc/23/10/27/132231027.db2.gz STHYLHQMKODDPE-UHFFFAOYSA-N 1 2 404.514 3.802 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000004658101 132281037 /nfs/dbraw/zinc/28/10/37/132281037.db2.gz BBVQLXJRQLXUIF-SFHVURJKSA-N 1 2 414.513 3.848 50 0 HHAALO Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000006837692 132318471 /nfs/dbraw/zinc/31/84/71/132318471.db2.gz SZFOTYKCLIIAPJ-UHFFFAOYSA-N 1 2 404.489 3.873 50 0 HHAALO O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000009287086 132338156 /nfs/dbraw/zinc/33/81/56/132338156.db2.gz VABFXTXAIFZXHY-KRWDZBQOSA-N 1 2 419.916 3.764 50 0 HHAALO O=C(c1ccc2oc(CCc3ccccc3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012589017 132364724 /nfs/dbraw/zinc/36/47/24/132364724.db2.gz VLIMYLYPRZYNLR-UHFFFAOYSA-N 1 2 412.493 3.970 50 0 HHAALO Cc1ccccc1N1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000012596511 132364888 /nfs/dbraw/zinc/36/48/88/132364888.db2.gz BRGPXDYRKBNMGW-UHFFFAOYSA-N 1 2 403.526 3.939 50 0 HHAALO CCOC(=O)c1ccc(N2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)nc1 ZINC000012869773 132368098 /nfs/dbraw/zinc/36/80/98/132368098.db2.gz BEUCYKUUCVIYOH-UHFFFAOYSA-N 1 2 414.556 3.766 50 0 HHAALO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220643 519798300 /nfs/dbraw/zinc/79/83/00/519798300.db2.gz RKUILFZFDCSCLP-OAQYLSRUSA-N 1 2 424.932 3.656 50 0 HHAALO CC(C)c1ccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c(C(C)C)c1 ZINC000040104924 519837328 /nfs/dbraw/zinc/83/73/28/519837328.db2.gz QTKJOFWMUNODFX-UHFFFAOYSA-N 1 2 400.567 3.705 50 0 HHAALO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560300 520508561 /nfs/dbraw/zinc/50/85/61/520508561.db2.gz LCXOXZIDTMJDEH-JOCHJYFZSA-N 1 2 407.514 3.688 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560300 520508567 /nfs/dbraw/zinc/50/85/67/520508567.db2.gz LCXOXZIDTMJDEH-JOCHJYFZSA-N 1 2 407.514 3.688 50 0 HHAALO COc1ccc(C[NH+]2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1F ZINC000024752639 524030894 /nfs/dbraw/zinc/03/08/94/524030894.db2.gz RQSJBNOYWANWID-UHFFFAOYSA-N 1 2 423.488 3.766 50 0 HHAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@@H+]1CCC[C@H](c3nc4ccccc4s3)C1)C2=O ZINC000036386000 524152342 /nfs/dbraw/zinc/15/23/42/524152342.db2.gz NAMHZQKSDYBGKG-ZMPRRUGASA-N 1 2 412.559 3.934 50 0 HHAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@H+]1CCC[C@H](c3nc4ccccc4s3)C1)C2=O ZINC000036386000 524152355 /nfs/dbraw/zinc/15/23/55/524152355.db2.gz NAMHZQKSDYBGKG-ZMPRRUGASA-N 1 2 412.559 3.934 50 0 HHAALO C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)C[C@@H](C)O1 ZINC000044537402 525063679 /nfs/dbraw/zinc/06/36/79/525063679.db2.gz HZGZVBBWKHGLHQ-IAGOWNOFSA-N 1 2 401.938 3.988 50 0 HHAALO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000022806705 526169353 /nfs/dbraw/zinc/16/93/53/526169353.db2.gz LZMSNQVATRDUQP-UHFFFAOYSA-N 1 2 420.326 3.653 50 0 HHAALO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032744448 526673134 /nfs/dbraw/zinc/67/31/34/526673134.db2.gz WHJWMHCLANQJMT-XBXARRHUSA-N 1 2 423.944 3.938 50 0 HHAALO O=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032779748 526711063 /nfs/dbraw/zinc/71/10/63/526711063.db2.gz UDFMGVXFXKDGIP-IBGZPJMESA-N 1 2 407.436 3.578 50 0 HHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1=Cc2cc(Br)ccc2OC1 ZINC000032893102 526749560 /nfs/dbraw/zinc/74/95/60/526749560.db2.gz CTPJUBOYEQWUFG-UHFFFAOYSA-N 1 2 424.298 3.786 50 0 HHAALO NC(=O)[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)c1ccccc1 ZINC000032879011 526998645 /nfs/dbraw/zinc/99/86/45/526998645.db2.gz LSDTUOHFFSMOGO-HXUWFJFHSA-N 1 2 407.543 3.572 50 0 HHAALO O=C(CSc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973505 527033118 /nfs/dbraw/zinc/03/31/18/527033118.db2.gz LEEQXBJTLUTRQR-UHFFFAOYSA-N 1 2 404.919 3.505 50 0 HHAALO O=c1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c2c(-c3ccccc3)csc21 ZINC000044169284 527439563 /nfs/dbraw/zinc/43/95/63/527439563.db2.gz OQWMNAVKSAYPSS-UHFFFAOYSA-N 1 2 402.523 3.974 50 0 HHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000031890355 527508438 /nfs/dbraw/zinc/50/84/38/527508438.db2.gz RXXXRJNQGHVEET-SFHVURJKSA-N 1 2 424.570 3.609 50 0 HHAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3CCc2ccccc2)cc1 ZINC000000646853 557036820 /nfs/dbraw/zinc/03/68/20/557036820.db2.gz CXKWOPLWAVNNRW-UHFFFAOYSA-N 1 2 419.510 3.808 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034852481 557469272 /nfs/dbraw/zinc/46/92/72/557469272.db2.gz IUHWGILOKBUGBU-HXUWFJFHSA-N 1 2 400.494 3.715 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034852481 557469274 /nfs/dbraw/zinc/46/92/74/557469274.db2.gz IUHWGILOKBUGBU-HXUWFJFHSA-N 1 2 400.494 3.715 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855800 557477603 /nfs/dbraw/zinc/47/76/03/557477603.db2.gz ZZVUNNHEPPYMIX-NYHFZMIOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855800 557477606 /nfs/dbraw/zinc/47/76/06/557477606.db2.gz ZZVUNNHEPPYMIX-NYHFZMIOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855799 557477610 /nfs/dbraw/zinc/47/76/10/557477610.db2.gz ZZVUNNHEPPYMIX-IVZQSRNASA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855799 557477612 /nfs/dbraw/zinc/47/76/12/557477612.db2.gz ZZVUNNHEPPYMIX-IVZQSRNASA-N 1 2 415.509 3.650 50 0 HHAALO O=C(Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000022870078 557843620 /nfs/dbraw/zinc/84/36/20/557843620.db2.gz QTWGIURCPZJCLJ-UHFFFAOYSA-N 1 2 405.523 3.958 50 0 HHAALO Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[N@@H+](C)Cc2ccncc2)cc1C ZINC000011667802 558269533 /nfs/dbraw/zinc/26/95/33/558269533.db2.gz DXPPOKPVHLWFJP-JOCHJYFZSA-N 1 2 403.530 3.510 50 0 HHAALO Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)C[N@H+](C)Cc2ccncc2)cc1C ZINC000011667802 558269534 /nfs/dbraw/zinc/26/95/34/558269534.db2.gz DXPPOKPVHLWFJP-JOCHJYFZSA-N 1 2 403.530 3.510 50 0 HHAALO CN(Cc1c[nH+]c2ccccn12)C(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000011784593 558275655 /nfs/dbraw/zinc/27/56/55/558275655.db2.gz IHGKFJRFIQGYJI-HSZRJFAPSA-N 1 2 424.932 3.618 50 0 HHAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019790490 558282489 /nfs/dbraw/zinc/28/24/89/558282489.db2.gz OIROWQRVDWVAOQ-UHFFFAOYSA-N 1 2 414.505 3.892 50 0 HHAALO O=S(=O)(c1ccc(Cl)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019808882 558286156 /nfs/dbraw/zinc/28/61/56/558286156.db2.gz NDDZSXQMPLMXBR-UHFFFAOYSA-N 1 2 400.931 4.000 50 0 HHAALO CCOc1ccc(CN2CC[N@H+](Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1 ZINC000019841417 558294185 /nfs/dbraw/zinc/29/41/85/558294185.db2.gz BTFJEQVQNXNDFY-NRFANRHFSA-N 1 2 400.588 3.876 50 0 HHAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1 ZINC000019841417 558294187 /nfs/dbraw/zinc/29/41/87/558294187.db2.gz BTFJEQVQNXNDFY-NRFANRHFSA-N 1 2 400.588 3.876 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCOc3ccc(C(C)C)cc3)CC2)cc1 ZINC000019849857 558295479 /nfs/dbraw/zinc/29/54/79/558295479.db2.gz BIWRJNZSKRUVAD-UHFFFAOYSA-N 1 2 402.560 3.504 50 0 HHAALO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020211913 558347931 /nfs/dbraw/zinc/34/79/31/558347931.db2.gz VOQMCADNYYLODA-FQEVSTJZSA-N 1 2 413.587 3.746 50 0 HHAALO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020211913 558347934 /nfs/dbraw/zinc/34/79/34/558347934.db2.gz VOQMCADNYYLODA-FQEVSTJZSA-N 1 2 413.587 3.746 50 0 HHAALO O[C@@H](COc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020294432 558354215 /nfs/dbraw/zinc/35/42/15/558354215.db2.gz MIEQTGGXHMZWBB-XMMPIXPASA-N 1 2 402.538 3.834 50 0 HHAALO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000012297310 558367390 /nfs/dbraw/zinc/36/73/90/558367390.db2.gz HSPHTQBRPFYQSK-RUZDIDTESA-N 1 2 417.509 3.901 50 0 HHAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)cc1 ZINC000020528610 558383971 /nfs/dbraw/zinc/38/39/71/558383971.db2.gz YGKLMOYHSZCSRW-IBGZPJMESA-N 1 2 416.949 3.803 50 0 HHAALO Cc1cccc(-c2nnc(S[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000022132272 558464210 /nfs/dbraw/zinc/46/42/10/558464210.db2.gz ZNOUMZSQKAGRSF-GOSISDBHSA-N 1 2 422.554 3.870 50 0 HHAALO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000022137098 558464411 /nfs/dbraw/zinc/46/44/11/558464411.db2.gz RQVAESVDZZPUJL-JOCHJYFZSA-N 1 2 420.582 3.757 50 0 HHAALO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1 ZINC000012984408 558494810 /nfs/dbraw/zinc/49/48/10/558494810.db2.gz HAFCFWSWZQDWHU-HXUWFJFHSA-N 1 2 412.486 3.641 50 0 HHAALO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1 ZINC000012984408 558494812 /nfs/dbraw/zinc/49/48/12/558494812.db2.gz HAFCFWSWZQDWHU-HXUWFJFHSA-N 1 2 412.486 3.641 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000023257654 558546681 /nfs/dbraw/zinc/54/66/81/558546681.db2.gz QSGMHKZBKLODFZ-MRXNPFEDSA-N 1 2 417.937 3.502 50 0 HHAALO C[N@@H+](Cc1ccsc1)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000023883351 558580318 /nfs/dbraw/zinc/58/03/18/558580318.db2.gz MUHGDDONNVNMMQ-UHFFFAOYSA-N 1 2 419.550 3.913 50 0 HHAALO C[N@H+](Cc1ccsc1)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000023883351 558580322 /nfs/dbraw/zinc/58/03/22/558580322.db2.gz MUHGDDONNVNMMQ-UHFFFAOYSA-N 1 2 419.550 3.913 50 0 HHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000023907797 558580871 /nfs/dbraw/zinc/58/08/71/558580871.db2.gz FZDABXMNZAXCMG-QHCPKHFHSA-N 1 2 416.525 3.553 50 0 HHAALO O=C(CCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1ccc(Cl)cc1 ZINC000024083020 558588166 /nfs/dbraw/zinc/58/81/66/558588166.db2.gz RTPLUGCAXYXSAC-UHFFFAOYSA-N 1 2 412.917 3.582 50 0 HHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000024210103 558592272 /nfs/dbraw/zinc/59/22/72/558592272.db2.gz WCTOHKCFCTZWJL-HXUWFJFHSA-N 1 2 402.922 3.525 50 0 HHAALO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024944223 558621793 /nfs/dbraw/zinc/62/17/93/558621793.db2.gz ZLAYHULVXQIVRU-QGZVFWFLSA-N 1 2 412.493 3.524 50 0 HHAALO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024944223 558621796 /nfs/dbraw/zinc/62/17/96/558621796.db2.gz ZLAYHULVXQIVRU-QGZVFWFLSA-N 1 2 412.493 3.524 50 0 HHAALO COc1ccc(-c2nc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000024969753 558622864 /nfs/dbraw/zinc/62/28/64/558622864.db2.gz XFZXIGVDFBVYOA-LJQANCHMSA-N 1 2 423.538 3.956 50 0 HHAALO COc1ccc(-c2nc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000024969753 558622865 /nfs/dbraw/zinc/62/28/65/558622865.db2.gz XFZXIGVDFBVYOA-LJQANCHMSA-N 1 2 423.538 3.956 50 0 HHAALO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000024976672 558623792 /nfs/dbraw/zinc/62/37/92/558623792.db2.gz JAAUSLCLYOEQQE-MRXNPFEDSA-N 1 2 419.928 3.941 50 0 HHAALO COc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1OCc1ccccc1 ZINC000014200447 558636152 /nfs/dbraw/zinc/63/61/52/558636152.db2.gz VKKCOHGUQBPZKZ-UHFFFAOYSA-N 1 2 406.482 3.825 50 0 HHAALO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000025468836 558641905 /nfs/dbraw/zinc/64/19/05/558641905.db2.gz HQSPGJHDORYMEH-HXUWFJFHSA-N 1 2 408.477 3.870 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1[nH+]ccn1C ZINC000025519523 558642729 /nfs/dbraw/zinc/64/27/29/558642729.db2.gz KJUJJVMKSVJAOV-OAQYLSRUSA-N 1 2 401.470 3.508 50 0 HHAALO CC(C)c1nnc(SCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)[nH]1 ZINC000014245870 558646850 /nfs/dbraw/zinc/64/68/50/558646850.db2.gz MIPRIYNFJRSZMY-UHFFFAOYSA-N 1 2 409.559 3.518 50 0 HHAALO CC(C)c1n[nH]c(SCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000014245870 558646853 /nfs/dbraw/zinc/64/68/53/558646853.db2.gz MIPRIYNFJRSZMY-UHFFFAOYSA-N 1 2 409.559 3.518 50 0 HHAALO CC(C)c1nc(SCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n[nH]1 ZINC000014245870 558646855 /nfs/dbraw/zinc/64/68/55/558646855.db2.gz MIPRIYNFJRSZMY-UHFFFAOYSA-N 1 2 409.559 3.518 50 0 HHAALO O=C(CN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1)Nc1ccccc1Cl ZINC000025925195 558652309 /nfs/dbraw/zinc/65/23/09/558652309.db2.gz BGZGCGMRPBNOKX-UHFFFAOYSA-N 1 2 412.896 3.784 50 0 HHAALO O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026552520 558663026 /nfs/dbraw/zinc/66/30/26/558663026.db2.gz SPMVTQOLPAOIMM-OHTSDLOESA-N 1 2 409.452 3.867 50 0 HHAALO O=C1NC2(CCC(c3ccccc3)CC2)C(=O)N1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000026552520 558663028 /nfs/dbraw/zinc/66/30/28/558663028.db2.gz SPMVTQOLPAOIMM-OHTSDLOESA-N 1 2 409.452 3.867 50 0 HHAALO COc1ccc(C[N@H+](Cc2cccc(C(F)(F)F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027649889 558677707 /nfs/dbraw/zinc/67/77/07/558677707.db2.gz KUQCPHPMGWJSBP-GOSISDBHSA-N 1 2 413.461 3.903 50 0 HHAALO COc1ccc(C[N@@H+](Cc2cccc(C(F)(F)F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027649889 558677710 /nfs/dbraw/zinc/67/77/10/558677710.db2.gz KUQCPHPMGWJSBP-GOSISDBHSA-N 1 2 413.461 3.903 50 0 HHAALO CCOc1ccccc1-c1nc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(C)o1 ZINC000014957500 558682878 /nfs/dbraw/zinc/68/28/78/558682878.db2.gz MMUFCDGLJXCFKN-UHFFFAOYSA-N 1 2 409.486 3.990 50 0 HHAALO CCOc1ccccc1-c1nc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c(C)o1 ZINC000014957500 558682881 /nfs/dbraw/zinc/68/28/81/558682881.db2.gz MMUFCDGLJXCFKN-UHFFFAOYSA-N 1 2 409.486 3.990 50 0 HHAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000014981071 558691566 /nfs/dbraw/zinc/69/15/66/558691566.db2.gz MSLVEYRXVJFZDN-NRFANRHFSA-N 1 2 409.461 3.824 50 0 HHAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000014981071 558691570 /nfs/dbraw/zinc/69/15/70/558691570.db2.gz MSLVEYRXVJFZDN-NRFANRHFSA-N 1 2 409.461 3.824 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000028787933 558704464 /nfs/dbraw/zinc/70/44/64/558704464.db2.gz IMTKZCFJSFKTSP-JOCHJYFZSA-N 1 2 412.493 3.672 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000028787933 558704467 /nfs/dbraw/zinc/70/44/67/558704467.db2.gz IMTKZCFJSFKTSP-JOCHJYFZSA-N 1 2 412.493 3.672 50 0 HHAALO CC(C)c1csc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000015062247 558705114 /nfs/dbraw/zinc/70/51/14/558705114.db2.gz KCMQCZHPFPSHAB-SFHVURJKSA-N 1 2 407.605 3.598 50 0 HHAALO CC(C)c1csc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)n1 ZINC000015062247 558705118 /nfs/dbraw/zinc/70/51/18/558705118.db2.gz KCMQCZHPFPSHAB-SFHVURJKSA-N 1 2 407.605 3.598 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@@H]1c1ccccc1 ZINC000015064156 558706998 /nfs/dbraw/zinc/70/69/98/558706998.db2.gz CSJQYIGZNNNSRZ-OAQYLSRUSA-N 1 2 413.424 3.661 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@@H]1c1ccccc1 ZINC000015064156 558707002 /nfs/dbraw/zinc/70/70/02/558707002.db2.gz CSJQYIGZNNNSRZ-OAQYLSRUSA-N 1 2 413.424 3.661 50 0 HHAALO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1)c1ccccc1 ZINC000029695584 558718886 /nfs/dbraw/zinc/71/88/86/558718886.db2.gz JXWOVOQUKOOIPO-UHFFFAOYSA-N 1 2 419.569 3.545 50 0 HHAALO C[NH+](C)Cc1nc(C2(NCc3cc(Cl)c4c(c3)OCCCO4)CCCC2)no1 ZINC000072289895 558724301 /nfs/dbraw/zinc/72/43/01/558724301.db2.gz PLPFEUWSSOVHAV-UHFFFAOYSA-N 1 2 406.914 3.505 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000030630751 558734693 /nfs/dbraw/zinc/73/46/93/558734693.db2.gz YOLLRTSCTWCALM-OAQYLSRUSA-N 1 2 423.538 3.709 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000030630751 558734696 /nfs/dbraw/zinc/73/46/96/558734696.db2.gz YOLLRTSCTWCALM-OAQYLSRUSA-N 1 2 423.538 3.709 50 0 HHAALO Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CC(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000072308650 558769834 /nfs/dbraw/zinc/76/98/34/558769834.db2.gz WAYSFUNZUFWMOJ-HXUWFJFHSA-N 1 2 418.497 3.567 50 0 HHAALO Cc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CC(=O)NCc3ccc4c(c3)OCO4)n2)c1 ZINC000072308650 558769837 /nfs/dbraw/zinc/76/98/37/558769837.db2.gz WAYSFUNZUFWMOJ-HXUWFJFHSA-N 1 2 418.497 3.567 50 0 HHAALO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2nncc3ccccc32)CC1)c1ccccc1 ZINC000072308381 558770544 /nfs/dbraw/zinc/77/05/44/558770544.db2.gz BNNIEAKQEISTSH-XXBNENTESA-N 1 2 417.557 3.798 50 0 HHAALO C[NH+]1CCN(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)CC1 ZINC000016399625 558776705 /nfs/dbraw/zinc/77/67/05/558776705.db2.gz XHPAQNUACPCRIW-UHFFFAOYSA-N 1 2 420.460 3.952 50 0 HHAALO Cc1ccc2[nH+]c(CNC(=O)[C@H]3CC(c4ccc(Cl)cc4Cl)=NO3)cn2c1 ZINC000071824286 558826520 /nfs/dbraw/zinc/82/65/20/558826520.db2.gz QBRXNBDERFLUNB-QGZVFWFLSA-N 1 2 403.269 3.759 50 0 HHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000004601787 558842336 /nfs/dbraw/zinc/84/23/36/558842336.db2.gz ZTTAPHRNZAPWFI-GFCCVEGCSA-N 1 2 410.890 3.983 50 0 HHAALO Cc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(Br)cc4[nH+]3)C2)o1 ZINC000033071318 558866630 /nfs/dbraw/zinc/86/66/30/558866630.db2.gz ZRRYKJFFCVENOH-ZDUSSCGKSA-N 1 2 417.307 3.760 50 0 HHAALO COc1cc(NC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)cc(OC)c1 ZINC000033106176 558873886 /nfs/dbraw/zinc/87/38/86/558873886.db2.gz MXLOHTLQCDBXIY-UHFFFAOYSA-N 1 2 406.486 3.745 50 0 HHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000033106639 558874192 /nfs/dbraw/zinc/87/41/92/558874192.db2.gz XNDDWZFLIGVPLG-UHFFFAOYSA-N 1 2 413.319 3.781 50 0 HHAALO C[C@@H](c1ccncn1)[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000055211715 558876283 /nfs/dbraw/zinc/87/62/83/558876283.db2.gz AIJYFKMQGTXXBQ-INIZCTEOSA-N 1 2 412.563 3.785 50 0 HHAALO C[C@@H](c1ccncn1)[N@@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000055211715 558876285 /nfs/dbraw/zinc/87/62/85/558876285.db2.gz AIJYFKMQGTXXBQ-INIZCTEOSA-N 1 2 412.563 3.785 50 0 HHAALO C[C@@]1(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)CCCC[C@@H]1c1ccc(O)cc1 ZINC000055552697 558882258 /nfs/dbraw/zinc/88/22/58/558882258.db2.gz QJDUGJCDLGRUEZ-ILBGXUMGSA-N 1 2 407.558 3.747 50 0 HHAALO COc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004626595 558891352 /nfs/dbraw/zinc/89/13/52/558891352.db2.gz ZHSMLOLRJYWPID-CQSZACIVSA-N 1 2 405.907 3.882 50 0 HHAALO O=C(CCc1ccccc1Cl)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000058104239 558899118 /nfs/dbraw/zinc/89/91/18/558899118.db2.gz UVALMHWKLFBJNV-UHFFFAOYSA-N 1 2 417.340 3.918 50 0 HHAALO Cc1nc(-c2cccc(NC(=O)NCc3ccc[nH+]c3N3CCOCC3)c2)cs1 ZINC000058440162 558927335 /nfs/dbraw/zinc/92/73/35/558927335.db2.gz DUPSCTSWHJMWNQ-UHFFFAOYSA-N 1 2 409.515 3.672 50 0 HHAALO COc1ccc(-c2ccc(=O)n(C[NH+]3CCC(c4ccccc4)CC3)n2)cc1OC ZINC000072403523 558964365 /nfs/dbraw/zinc/96/43/65/558964365.db2.gz UZTLKMZKHDXKTE-UHFFFAOYSA-N 1 2 405.498 3.765 50 0 HHAALO O=C(c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997435 558982486 /nfs/dbraw/zinc/98/24/86/558982486.db2.gz JRTNUMIGDQPGIE-UHFFFAOYSA-N 1 2 417.481 3.944 50 0 HHAALO Cc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)[NH+]2CCOCC2)cc1 ZINC000023105733 559009717 /nfs/dbraw/zinc/00/97/17/559009717.db2.gz UONZBMWGQGVQOR-DEOSSOPVSA-N 1 2 404.510 3.717 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000023157105 559022135 /nfs/dbraw/zinc/02/21/35/559022135.db2.gz GORXPHWEBICPED-SNUQEOBHSA-N 1 2 416.547 3.889 50 0 HHAALO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046467874 559147326 /nfs/dbraw/zinc/14/73/26/559147326.db2.gz NRIAKKRKGDTZKI-IBGZPJMESA-N 1 2 413.522 3.506 50 0 HHAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c(OC)c1OC ZINC000023642848 559178473 /nfs/dbraw/zinc/17/84/73/559178473.db2.gz ADBVTDVWGLJUEV-UHFFFAOYSA-N 1 2 412.530 3.794 50 0 HHAALO O=C(c1c(F)cccc1Cl)N1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 ZINC000011695691 559188927 /nfs/dbraw/zinc/18/89/27/559188927.db2.gz CNJFOJKQGLNWRL-UHFFFAOYSA-N 1 2 402.832 3.766 50 0 HHAALO Cc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695782 559189094 /nfs/dbraw/zinc/18/90/94/559189094.db2.gz NHVGVSFGWJIWGI-UHFFFAOYSA-N 1 2 409.921 3.595 50 0 HHAALO CC[N@H+](CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12)c1ccccc1 ZINC000004920838 559206826 /nfs/dbraw/zinc/20/68/26/559206826.db2.gz SQKLIAYPDQQIPC-UHFFFAOYSA-N 1 2 409.555 3.663 50 0 HHAALO CC[N@@H+](CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12)c1ccccc1 ZINC000004920838 559206827 /nfs/dbraw/zinc/20/68/27/559206827.db2.gz SQKLIAYPDQQIPC-UHFFFAOYSA-N 1 2 409.555 3.663 50 0 HHAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011935939 559268673 /nfs/dbraw/zinc/26/86/73/559268673.db2.gz RHTDVDHNLFJGBR-QGZVFWFLSA-N 1 2 404.470 3.565 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003540407 560596247 /nfs/dbraw/zinc/59/62/47/560596247.db2.gz FLHVBCUZCIYTCJ-UHFFFAOYSA-N 1 2 419.447 3.882 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003540407 560596249 /nfs/dbraw/zinc/59/62/49/560596249.db2.gz FLHVBCUZCIYTCJ-UHFFFAOYSA-N 1 2 419.447 3.882 50 0 HHAALO COc1ccc(C2=C3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3N(c3ccccc3)[NH2+]2)cc1 ZINC000018119288 560776843 /nfs/dbraw/zinc/77/68/43/560776843.db2.gz VMSPJWIOVOTBEH-IFMALSPDSA-N 1 2 415.424 3.617 50 0 HHAALO COc1cc(NC(=O)C[N@@H+]2CCN(c3ccc(C)cc3)[C@H](C)C2)c(OC)cc1Cl ZINC000102663779 560819412 /nfs/dbraw/zinc/81/94/12/560819412.db2.gz XGCKBXJOWLLYNT-MRXNPFEDSA-N 1 2 417.937 3.815 50 0 HHAALO COc1cc(NC(=O)C[N@H+]2CCN(c3ccc(C)cc3)[C@H](C)C2)c(OC)cc1Cl ZINC000102663779 560819413 /nfs/dbraw/zinc/81/94/13/560819413.db2.gz XGCKBXJOWLLYNT-MRXNPFEDSA-N 1 2 417.937 3.815 50 0 HHAALO O=C(c1ccccc1F)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCCCC3)c2C1 ZINC000096280973 560848394 /nfs/dbraw/zinc/84/83/94/560848394.db2.gz DAFDVTNXTYLSTF-UHFFFAOYSA-N 1 2 423.536 3.795 50 0 HHAALO COC(=O)C1C(C[N@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318339 560858758 /nfs/dbraw/zinc/85/87/58/560858758.db2.gz BZQAOKDKOIFBGQ-HSZRJFAPSA-N 1 2 417.509 3.565 50 0 HHAALO COC(=O)C1C(C[N@@H+]2CC=C(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318339 560858759 /nfs/dbraw/zinc/85/87/59/560858759.db2.gz BZQAOKDKOIFBGQ-HSZRJFAPSA-N 1 2 417.509 3.565 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022907400 568415744 /nfs/dbraw/zinc/41/57/44/568415744.db2.gz KWQYCUYKQNJVME-FQEVSTJZSA-N 1 2 423.900 3.787 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc(Cl)cc1 ZINC000022907400 568415745 /nfs/dbraw/zinc/41/57/45/568415745.db2.gz KWQYCUYKQNJVME-FQEVSTJZSA-N 1 2 423.900 3.787 50 0 HHAALO O=S(=O)(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022907917 568415985 /nfs/dbraw/zinc/41/59/85/568415985.db2.gz UVZAULDZTYYZTR-QGZVFWFLSA-N 1 2 404.582 3.888 50 0 HHAALO O=S(=O)(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022907917 568415986 /nfs/dbraw/zinc/41/59/86/568415986.db2.gz UVZAULDZTYYZTR-QGZVFWFLSA-N 1 2 404.582 3.888 50 0 HHAALO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907471 568416176 /nfs/dbraw/zinc/41/61/76/568416176.db2.gz LRWKATNNHLBVIM-NRFANRHFSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907471 568416177 /nfs/dbraw/zinc/41/61/77/568416177.db2.gz LRWKATNNHLBVIM-NRFANRHFSA-N 1 2 417.509 3.751 50 0 HHAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCc2csc(C)n2)cc1 ZINC000045344853 568419158 /nfs/dbraw/zinc/41/91/58/568419158.db2.gz OROAYVDODCZPEB-UHFFFAOYSA-N 1 2 413.547 3.849 50 0 HHAALO C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC000048287417 568434696 /nfs/dbraw/zinc/43/46/96/568434696.db2.gz IWYRBWLYUXOJKQ-SIKLNZKXSA-N 1 2 420.557 3.688 50 0 HHAALO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000048289429 568434929 /nfs/dbraw/zinc/43/49/29/568434929.db2.gz UCRGDAHUMJSVDF-AWEZNQCLSA-N 1 2 410.905 3.747 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000048309473 568436516 /nfs/dbraw/zinc/43/65/16/568436516.db2.gz BNHKWMJSDWIRTC-SFHVURJKSA-N 1 2 400.878 3.734 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(COCc2ccco2)c1 ZINC000048301054 568437462 /nfs/dbraw/zinc/43/74/62/568437462.db2.gz CCNSAWHTWOLFRH-UHFFFAOYSA-N 1 2 422.485 3.550 50 0 HHAALO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4OC)CC3)n2)cc1 ZINC000049403459 568448329 /nfs/dbraw/zinc/44/83/29/568448329.db2.gz PKKKVCYZYCVGSV-UHFFFAOYSA-N 1 2 422.485 3.572 50 0 HHAALO CCCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000000664677 568460328 /nfs/dbraw/zinc/46/03/28/568460328.db2.gz QXSPVKVDGTZAMA-BQJUDKOJSA-N 1 2 420.896 3.944 50 0 HHAALO CCCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000000664677 568460329 /nfs/dbraw/zinc/46/03/29/568460329.db2.gz QXSPVKVDGTZAMA-BQJUDKOJSA-N 1 2 420.896 3.944 50 0 HHAALO C[C@@H](Cc1ccccn1)NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000216253325 568463822 /nfs/dbraw/zinc/46/38/22/568463822.db2.gz MQHBGPRSMNSLFP-MHECFPHRSA-N 1 2 419.500 3.904 50 0 HHAALO C[C@@H](Cc1ccccn1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000216253325 568463824 /nfs/dbraw/zinc/46/38/24/568463824.db2.gz MQHBGPRSMNSLFP-MHECFPHRSA-N 1 2 419.500 3.904 50 0 HHAALO O=C(NCc1ccccc1Br)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071766 568511116 /nfs/dbraw/zinc/51/11/16/568511116.db2.gz NZGXJNOBOPUCHX-OAHLLOKOSA-N 1 2 413.319 3.858 50 0 HHAALO COc1cccc(C(=O)O[C@@H](C[NH+]2CCN(c3ccccc3)CC2)C(F)(F)F)c1 ZINC000020219006 568594930 /nfs/dbraw/zinc/59/49/30/568594930.db2.gz AYSODGREEXBGOW-IBGZPJMESA-N 1 2 408.420 3.605 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)NCC1(c2ccccc2)CCCC1 ZINC000095469935 568626029 /nfs/dbraw/zinc/62/60/29/568626029.db2.gz HIGIYYZHZIIKCN-UHFFFAOYSA-N 1 2 407.558 3.830 50 0 HHAALO CC(C)c1sc(Br)nc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095478994 568632153 /nfs/dbraw/zinc/63/21/53/568632153.db2.gz HBNVOELFROPUJU-UHFFFAOYSA-N 1 2 408.365 3.987 50 0 HHAALO CCc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2ccccc2F)cc1 ZINC000020678816 568640008 /nfs/dbraw/zinc/64/00/08/568640008.db2.gz ANMCTNIZPRDFEZ-UHFFFAOYSA-N 1 2 401.551 3.919 50 0 HHAALO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC(=O)Nc2ccccc2F)C[C@H]1c1ccccc1 ZINC000225733940 568668948 /nfs/dbraw/zinc/66/89/48/568668948.db2.gz PBZJMEUPKYCVNA-FXAWDEMLSA-N 1 2 413.493 3.757 50 0 HHAALO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2F)C[C@H]1c1ccccc1 ZINC000225733940 568668949 /nfs/dbraw/zinc/66/89/49/568668949.db2.gz PBZJMEUPKYCVNA-FXAWDEMLSA-N 1 2 413.493 3.757 50 0 HHAALO Cc1cccc(N2CCN(C(=O)C3CCN(c4[nH]c5ccccc5[nH+]4)CC3)C[C@@H]2C)c1 ZINC000021158647 568674061 /nfs/dbraw/zinc/67/40/61/568674061.db2.gz WRPNXVBYTQAXEW-IBGZPJMESA-N 1 2 417.557 3.825 50 0 HHAALO CCOc1ccc(C(=O)c2c[nH+]c3ccc(F)cc3c2N2CCC(C(N)=O)CC2)cc1 ZINC000021158451 568674240 /nfs/dbraw/zinc/67/42/40/568674240.db2.gz MGACSLDEYACYNP-UHFFFAOYSA-N 1 2 421.472 3.705 50 0 HHAALO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc21 ZINC000021168006 568675171 /nfs/dbraw/zinc/67/51/71/568675171.db2.gz DUBBJIOWMQQPPQ-OAQYLSRUSA-N 1 2 422.525 3.522 50 0 HHAALO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc21 ZINC000021167999 568675190 /nfs/dbraw/zinc/67/51/90/568675190.db2.gz DUBBJIOWMQQPPQ-NRFANRHFSA-N 1 2 422.525 3.522 50 0 HHAALO O=C(NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000096011882 568684197 /nfs/dbraw/zinc/68/41/97/568684197.db2.gz GOTJUDZUOGDZBG-QFIPXVFZSA-N 1 2 423.476 3.857 50 0 HHAALO Cc1ccnc(Nc2cc(N3CCN(C(=O)CCc4ccccc4)CC3)[nH+]c(C)n2)c1 ZINC000096024997 568686257 /nfs/dbraw/zinc/68/62/57/568686257.db2.gz YQVXTHVTHRAABK-UHFFFAOYSA-N 1 2 416.529 3.513 50 0 HHAALO O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000096179402 568702478 /nfs/dbraw/zinc/70/24/78/568702478.db2.gz FWOHRAYFIDPTGC-UVTDQMKNSA-N 1 2 418.541 3.918 50 0 HHAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000014075135 568719484 /nfs/dbraw/zinc/71/94/84/568719484.db2.gz ZZADYVRKUFQJNG-XLIONFOSSA-N 1 2 405.420 3.839 50 0 HHAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000014075135 568719486 /nfs/dbraw/zinc/71/94/86/568719486.db2.gz ZZADYVRKUFQJNG-XLIONFOSSA-N 1 2 405.420 3.839 50 0 HHAALO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(F)c(F)c2)on1)c1ccc(F)cc1F ZINC000238900248 568727046 /nfs/dbraw/zinc/72/70/46/568727046.db2.gz IEVAPODUOLNBST-GOSISDBHSA-N 1 2 407.367 3.931 50 0 HHAALO CC(C)Oc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000242263285 568732333 /nfs/dbraw/zinc/73/23/33/568732333.db2.gz XXQSKZKSZFYNOW-PZJWPPBQSA-N 1 2 423.557 3.624 50 0 HHAALO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)[nH+]1 ZINC000021795772 568753709 /nfs/dbraw/zinc/75/37/09/568753709.db2.gz DMXDXUDXCKEFLQ-UHFFFAOYSA-N 1 2 419.457 3.674 50 0 HHAALO Cc1nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc(N(C)C)[nH+]1 ZINC000021795772 568753710 /nfs/dbraw/zinc/75/37/10/568753710.db2.gz DMXDXUDXCKEFLQ-UHFFFAOYSA-N 1 2 419.457 3.674 50 0 HHAALO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000001142373 568773898 /nfs/dbraw/zinc/77/38/98/568773898.db2.gz YAELHOQEUVJCAR-UHFFFAOYSA-N 1 2 400.870 3.502 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1F ZINC000056896253 568820926 /nfs/dbraw/zinc/82/09/26/568820926.db2.gz QEEIWCLZBWGTBI-QHCPKHFHSA-N 1 2 422.479 3.653 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1c(F)cccc1F ZINC000056945209 568821568 /nfs/dbraw/zinc/82/15/68/568821568.db2.gz SKQZNPZZXNFNOU-FQEVSTJZSA-N 1 2 411.452 3.851 50 0 HHAALO CCOc1cc2[nH]c(=S)n(CCC[NH+]3CCC(C)CC3)c(=O)c2cc1OCC ZINC000003010293 568837703 /nfs/dbraw/zinc/83/77/03/568837703.db2.gz JMZQEEJQRRVKMW-UHFFFAOYSA-N 1 2 405.564 3.978 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)COc1ccc(Br)cc1Cl ZINC000012525749 568842856 /nfs/dbraw/zinc/84/28/56/568842856.db2.gz GQRNYYAROYDZQR-UHFFFAOYSA-N 1 2 422.710 3.956 50 0 HHAALO C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547687 568851045 /nfs/dbraw/zinc/85/10/45/568851045.db2.gz AWEIHQKKEZWTEE-PXNSSMCTSA-N 1 2 420.488 3.741 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(Br)c1)c1ccc(F)cc1 ZINC000012602064 568870219 /nfs/dbraw/zinc/87/02/19/568870219.db2.gz WZPUGZWRBPEFAK-SFHVURJKSA-N 1 2 418.266 3.606 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)Oc1ccccc1 ZINC000058135965 568890263 /nfs/dbraw/zinc/89/02/63/568890263.db2.gz ARVYTELISUJFEY-QHCPKHFHSA-N 1 2 420.488 3.873 50 0 HHAALO O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012742279 568929420 /nfs/dbraw/zinc/92/94/20/568929420.db2.gz JLSNBGMFRULSJH-UHFFFAOYSA-N 1 2 414.431 3.849 50 0 HHAALO Cc1oc2c(cc3c(C)c(CC(=O)NCCCn4cc[nH+]c4)c(=O)oc3c2C)c1C ZINC000003985127 568931320 /nfs/dbraw/zinc/93/13/20/568931320.db2.gz GCTLXFCMTTVJHF-UHFFFAOYSA-N 1 2 407.470 3.718 50 0 biogenic HHAALO Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000031835649 568933446 /nfs/dbraw/zinc/93/34/46/568933446.db2.gz JZFCWEVIBDPBDN-IBGZPJMESA-N 1 2 406.873 3.952 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012751506 568940940 /nfs/dbraw/zinc/94/09/40/568940940.db2.gz REABGHUSJNOOPL-FQEVSTJZSA-N 1 2 420.513 3.608 50 0 HHAALO CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000012770587 568951666 /nfs/dbraw/zinc/95/16/66/568951666.db2.gz NKEWPDMLGAUUDP-UHFFFAOYSA-N 1 2 414.575 3.795 50 0 HHAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1cccc2ccccc21 ZINC000008071935 568971503 /nfs/dbraw/zinc/97/15/03/568971503.db2.gz HWTPSCLZBIKYTB-UHFFFAOYSA-N 1 2 400.482 3.758 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000012807761 568980208 /nfs/dbraw/zinc/98/02/08/568980208.db2.gz MCZWAEJYXODGCI-GOSISDBHSA-N 1 2 418.266 3.606 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(Br)c1)c1cccc(F)c1 ZINC000012807754 568980258 /nfs/dbraw/zinc/98/02/58/568980258.db2.gz MCZWAEJYXODGCI-SFHVURJKSA-N 1 2 418.266 3.606 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324670 568991249 /nfs/dbraw/zinc/99/12/49/568991249.db2.gz ISUVUOYLGQRWJZ-OAQYLSRUSA-N 1 2 404.495 3.504 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324670 568991250 /nfs/dbraw/zinc/99/12/50/568991250.db2.gz ISUVUOYLGQRWJZ-OAQYLSRUSA-N 1 2 404.495 3.504 50 0 HHAALO C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008328829 568992932 /nfs/dbraw/zinc/99/29/32/568992932.db2.gz UCXISUBUCCWXRA-UHFFFAOYSA-N 1 2 410.861 3.840 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008328829 568992933 /nfs/dbraw/zinc/99/29/33/568992933.db2.gz UCXISUBUCCWXRA-UHFFFAOYSA-N 1 2 410.861 3.840 50 0 HHAALO COC(=O)C1=C(C[N@H+](C)Cc2cccs2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012862515 569011875 /nfs/dbraw/zinc/01/18/75/569011875.db2.gz LJLFISZETVVCNY-HXUWFJFHSA-N 1 2 411.527 3.536 50 0 HHAALO COC(=O)C1=C(C[N@@H+](C)Cc2cccs2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 ZINC000012862515 569011876 /nfs/dbraw/zinc/01/18/76/569011876.db2.gz LJLFISZETVVCNY-HXUWFJFHSA-N 1 2 411.527 3.536 50 0 HHAALO COc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1OC ZINC000015880241 569018027 /nfs/dbraw/zinc/01/80/27/569018027.db2.gz XVNJCXQPEYINGW-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1OC ZINC000015880241 569018028 /nfs/dbraw/zinc/01/80/28/569018028.db2.gz XVNJCXQPEYINGW-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cccc(Br)c2)cc1 ZINC000012919683 569022883 /nfs/dbraw/zinc/02/28/83/569022883.db2.gz RKYCVOPPYBVCGK-LJQANCHMSA-N 1 2 403.320 3.561 50 0 HHAALO Cc1ccc(-c2noc(C[NH+]3CCN(c4nc5ccccc5nc4C)CC3)n2)cc1 ZINC000012925912 569023749 /nfs/dbraw/zinc/02/37/49/569023749.db2.gz FNYIRVSWXDNZHR-UHFFFAOYSA-N 1 2 400.486 3.619 50 0 HHAALO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000012948240 569029314 /nfs/dbraw/zinc/02/93/14/569029314.db2.gz FZXUESDFVKGSOB-AWEZNQCLSA-N 1 2 420.966 3.785 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000035361690 569033670 /nfs/dbraw/zinc/03/36/70/569033670.db2.gz WJVKSBBNVHBLBZ-QFIPXVFZSA-N 1 2 424.595 3.501 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000035361690 569033671 /nfs/dbraw/zinc/03/36/71/569033671.db2.gz WJVKSBBNVHBLBZ-QFIPXVFZSA-N 1 2 424.595 3.501 50 0 HHAALO COc1cc(/C=C/C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1OC(C)C ZINC000016831073 569046422 /nfs/dbraw/zinc/04/64/22/569046422.db2.gz RVMUZVMDMRPBDS-YUAYGMJFSA-N 1 2 424.541 3.685 50 0 HHAALO COc1cc2nc(=S)n3nc(CCn4c(C)[nH+]c5ccccc54)[nH]c3c2cc1OC ZINC000006493547 569061163 /nfs/dbraw/zinc/06/11/63/569061163.db2.gz BLHAPKGJQIXBKD-UHFFFAOYSA-N 1 2 420.498 3.858 50 0 HHAALO COc1ccc2c(c1)c(C(=O)C[N@@H+]1CCN(c3cccc(OC)c3)[C@H](C)C1)c(C)n2C ZINC000035930638 569066745 /nfs/dbraw/zinc/06/67/45/569066745.db2.gz OXTIBBULRJZCMA-QGZVFWFLSA-N 1 2 421.541 3.897 50 0 HHAALO COc1ccc2c(c1)c(C(=O)C[N@H+]1CCN(c3cccc(OC)c3)[C@H](C)C1)c(C)n2C ZINC000035930638 569066746 /nfs/dbraw/zinc/06/67/46/569066746.db2.gz OXTIBBULRJZCMA-QGZVFWFLSA-N 1 2 421.541 3.897 50 0 HHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cscn4)csc3C2)nc1 ZINC000426661393 569073735 /nfs/dbraw/zinc/07/37/35/569073735.db2.gz WCLPQSVNQVRGQU-UHFFFAOYSA-N 1 2 412.584 3.993 50 0 HHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cscn4)csc3C2)nc1 ZINC000426661393 569073736 /nfs/dbraw/zinc/07/37/36/569073736.db2.gz WCLPQSVNQVRGQU-UHFFFAOYSA-N 1 2 412.584 3.993 50 0 HHAALO CC(C)C[C@H]1[NH2+]C2(CCN(C(=O)C3CCCC3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000036029736 569079361 /nfs/dbraw/zinc/07/93/61/569079361.db2.gz GOGFYVSNRAQJBU-OAQYLSRUSA-N 1 2 415.553 3.681 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1cccs1)CC2 ZINC000036026447 569079577 /nfs/dbraw/zinc/07/95/77/569079577.db2.gz GPSBVTIEDVMNMT-MJGOQNOKSA-N 1 2 411.571 3.522 50 0 HHAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)c3cccc(F)c3)CC2)N(Cc2ccccc2)C1=O ZINC000036026695 569079747 /nfs/dbraw/zinc/07/97/47/569079747.db2.gz LVNAXMIBXJRHDU-GCJKJVERSA-N 1 2 423.532 3.805 50 0 HHAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=O)c3cccc(F)c3)CC2)N(Cc2ccccc2)C1=O ZINC000036026693 569079758 /nfs/dbraw/zinc/07/97/58/569079758.db2.gz LVNAXMIBXJRHDU-XMSQKQJNSA-N 1 2 423.532 3.805 50 0 HHAALO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)N3CCOCC3)co2)Cc2ccccc2)c1 ZINC000036073740 569086934 /nfs/dbraw/zinc/08/69/34/569086934.db2.gz YUZWAVNYQAALBD-UHFFFAOYSA-N 1 2 419.525 3.966 50 0 HHAALO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)N3CCOCC3)co2)Cc2ccccc2)c1 ZINC000036073740 569086936 /nfs/dbraw/zinc/08/69/36/569086936.db2.gz YUZWAVNYQAALBD-UHFFFAOYSA-N 1 2 419.525 3.966 50 0 HHAALO O=C(Nc1ccccc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036311344 569132322 /nfs/dbraw/zinc/13/23/22/569132322.db2.gz HUDJBWFBQSWQKZ-QFIPXVFZSA-N 1 2 409.505 3.781 50 0 HHAALO Cc1sc2nc(C[NH+]3CCCC3)nc(NS(=O)(=O)Cc3ccccc3)c2c1C ZINC000006919643 569181613 /nfs/dbraw/zinc/18/16/13/569181613.db2.gz ZITVKBVTAWTDKO-UHFFFAOYSA-N 1 2 416.572 3.846 50 0 HHAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000036447665 569184095 /nfs/dbraw/zinc/18/40/95/569184095.db2.gz WSAHMQXSYGZBBD-UHFFFAOYSA-N 1 2 415.472 3.769 50 0 HHAALO O=C(CCC1CCCC1)N1CCC[N@@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000065172369 569189724 /nfs/dbraw/zinc/18/97/24/569189724.db2.gz PYJVBZNOONCVPR-UHFFFAOYSA-N 1 2 400.498 3.880 50 0 HHAALO O=C(CCC1CCCC1)N1CCC[N@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000065172369 569189725 /nfs/dbraw/zinc/18/97/25/569189725.db2.gz PYJVBZNOONCVPR-UHFFFAOYSA-N 1 2 400.498 3.880 50 0 HHAALO Cc1ccc(C)c(C(=O)N2CCC[N@H+](Cc3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000065172352 569190299 /nfs/dbraw/zinc/19/02/99/569190299.db2.gz VSIZAHRHUVWEGR-UHFFFAOYSA-N 1 2 408.477 3.841 50 0 HHAALO Cc1ccc(C)c(C(=O)N2CCC[N@@H+](Cc3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000065172352 569190300 /nfs/dbraw/zinc/19/03/00/569190300.db2.gz VSIZAHRHUVWEGR-UHFFFAOYSA-N 1 2 408.477 3.841 50 0 HHAALO COc1ccc(CNC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000065211044 569196175 /nfs/dbraw/zinc/19/61/75/569196175.db2.gz FPCPTOUHDLMBOP-UHFFFAOYSA-N 1 2 407.489 3.661 50 0 HHAALO COc1ccc(CNC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000065211044 569196176 /nfs/dbraw/zinc/19/61/76/569196176.db2.gz FPCPTOUHDLMBOP-UHFFFAOYSA-N 1 2 407.489 3.661 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cccc(Cl)c3)C2)nc[nH+]1 ZINC000065245141 569204797 /nfs/dbraw/zinc/20/47/97/569204797.db2.gz CXJWFVPSDJFQHU-INIZCTEOSA-N 1 2 401.942 3.875 50 0 HHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cccc(Cl)c3)C2)[nH+]cn1 ZINC000065245141 569204798 /nfs/dbraw/zinc/20/47/98/569204798.db2.gz CXJWFVPSDJFQHU-INIZCTEOSA-N 1 2 401.942 3.875 50 0 HHAALO Cc1ccc(C2=NN(C(=O)CSc3nc(N)cc(C)[nH+]3)[C@@H](c3ccco3)C2)cc1 ZINC000007049182 569211677 /nfs/dbraw/zinc/21/16/77/569211677.db2.gz HJPFDGKEBYPBGT-QGZVFWFLSA-N 1 2 407.499 3.739 50 0 HHAALO COc1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cc1F ZINC000065265961 569213149 /nfs/dbraw/zinc/21/31/49/569213149.db2.gz VAODFTDLIPJWBF-XMMPIXPASA-N 1 2 424.520 3.641 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(OC)c3)CC2)nc[nH+]1 ZINC000065274195 569214887 /nfs/dbraw/zinc/21/48/87/569214887.db2.gz LTGAMXNAKNZWNK-UHFFFAOYSA-N 1 2 411.550 3.620 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(OC)c3)CC2)[nH+]cn1 ZINC000065274195 569214888 /nfs/dbraw/zinc/21/48/88/569214888.db2.gz LTGAMXNAKNZWNK-UHFFFAOYSA-N 1 2 411.550 3.620 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700297 569222684 /nfs/dbraw/zinc/22/26/84/569222684.db2.gz BOYOIMRCRBFFCD-QFIPXVFZSA-N 1 2 402.560 3.552 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700297 569222685 /nfs/dbraw/zinc/22/26/85/569222685.db2.gz BOYOIMRCRBFFCD-QFIPXVFZSA-N 1 2 402.560 3.552 50 0 HHAALO CCCc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700364 569222912 /nfs/dbraw/zinc/22/29/12/569222912.db2.gz YQAXJUXPYRQFLG-QHCPKHFHSA-N 1 2 416.587 3.771 50 0 HHAALO CCCc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700364 569222913 /nfs/dbraw/zinc/22/29/13/569222913.db2.gz YQAXJUXPYRQFLG-QHCPKHFHSA-N 1 2 416.587 3.771 50 0 HHAALO Cc1cccc(-c2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)[nH]2)c1 ZINC000071793157 569254399 /nfs/dbraw/zinc/25/43/99/569254399.db2.gz AIVRJYOHJAPVDH-UXBLZVDNSA-N 1 2 413.521 3.822 50 0 HHAALO COc1ccccc1C(=O)Nc1ccc(Nc2nc(N3CCOCC3)cc(C)[nH+]2)cc1 ZINC000017013589 569271677 /nfs/dbraw/zinc/27/16/77/569271677.db2.gz LRAJWAPCSKQONT-UHFFFAOYSA-N 1 2 419.485 3.626 50 0 HHAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000252444279 569285931 /nfs/dbraw/zinc/28/59/31/569285931.db2.gz NSCRMHWHGBMGRC-PXNSSMCTSA-N 1 2 423.563 3.878 50 0 HHAALO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000252444279 569285933 /nfs/dbraw/zinc/28/59/33/569285933.db2.gz NSCRMHWHGBMGRC-PXNSSMCTSA-N 1 2 423.563 3.878 50 0 HHAALO CCc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000027296242 569292926 /nfs/dbraw/zinc/29/29/26/569292926.db2.gz NCXXOHQMBYZWRL-UHFFFAOYSA-N 1 2 407.436 3.612 50 0 HHAALO CCc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1 ZINC000027296242 569292927 /nfs/dbraw/zinc/29/29/27/569292927.db2.gz NCXXOHQMBYZWRL-UHFFFAOYSA-N 1 2 407.436 3.612 50 0 HHAALO C[S@](=O)CC[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000078969635 569422425 /nfs/dbraw/zinc/42/24/25/569422425.db2.gz BBWZZWFLELPDEG-GDLZYMKVSA-N 1 2 420.569 3.873 50 0 HHAALO COc1cc(CCC(=O)Nc2ccc3c(c2)[nH+]c(CCc2ccccc2)n3C)on1 ZINC000079495009 569432779 /nfs/dbraw/zinc/43/27/79/569432779.db2.gz OXPKSIXNZHYPLL-UHFFFAOYSA-N 1 2 404.470 3.926 50 0 HHAALO Cc1oc2c(cc3c(C)c(CC(=O)N4CCc5[nH]c[nH+]c5C4)c(=O)oc3c2C)c1C ZINC000008765217 571115369 /nfs/dbraw/zinc/11/53/69/571115369.db2.gz HLOWYNFPHGKIEL-UHFFFAOYSA-N 1 2 405.454 3.623 50 0 biogenic HHAALO Cc1oc2c(cc3c(C)c(CC(=O)N4CCc5[nH+]c[nH]c5C4)c(=O)oc3c2C)c1C ZINC000008765217 571115372 /nfs/dbraw/zinc/11/53/72/571115372.db2.gz HLOWYNFPHGKIEL-UHFFFAOYSA-N 1 2 405.454 3.623 50 0 biogenic HHAALO C[C@@H](NC(=O)C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2ccccc2o1 ZINC000008918784 571154625 /nfs/dbraw/zinc/15/46/25/571154625.db2.gz DODXWCWNFBSSCZ-MRXNPFEDSA-N 1 2 418.497 3.590 50 0 HHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 ZINC000008939650 571166432 /nfs/dbraw/zinc/16/64/32/571166432.db2.gz DHQJJJVQAHIZPV-FQEVSTJZSA-N 1 2 418.497 3.728 50 0 HHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 ZINC000008939650 571166434 /nfs/dbraw/zinc/16/64/34/571166434.db2.gz DHQJJJVQAHIZPV-FQEVSTJZSA-N 1 2 418.497 3.728 50 0 HHAALO COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccccc1 ZINC000008985094 571205751 /nfs/dbraw/zinc/20/57/51/571205751.db2.gz NXUMKCJHZZUJDO-UHFFFAOYSA-N 1 2 403.482 3.632 50 0 HHAALO Cc1nc(N2CCC(NC(=O)c3cc(-c4cccs4)on3)CC2)c2c([nH+]1)CCCC2 ZINC000244970270 571211193 /nfs/dbraw/zinc/21/11/93/571211193.db2.gz HQKPPJSXOUJJER-UHFFFAOYSA-N 1 2 423.542 3.779 50 0 HHAALO COC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)sc2c1CCCC2 ZINC000009112314 571223492 /nfs/dbraw/zinc/22/34/92/571223492.db2.gz YQFWEQKMJVPBMK-MRXNPFEDSA-N 1 2 401.532 3.528 50 0 HHAALO COC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)sc2c1CCCC2 ZINC000009112314 571223495 /nfs/dbraw/zinc/22/34/95/571223495.db2.gz YQFWEQKMJVPBMK-MRXNPFEDSA-N 1 2 401.532 3.528 50 0 HHAALO Cc1ccc2[nH+]c(CSc3ccc(S(=O)(=O)N4CCCCCC4)cn3)cn2c1 ZINC000009367296 571252262 /nfs/dbraw/zinc/25/22/62/571252262.db2.gz KMPAEKYOVCHGSC-UHFFFAOYSA-N 1 2 416.572 3.895 50 0 HHAALO O=C(Nc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1)C1CC1 ZINC000009478589 571261866 /nfs/dbraw/zinc/26/18/66/571261866.db2.gz YGODSAKEMIPLAJ-UHFFFAOYSA-N 1 2 402.433 3.915 50 0 HHAALO CC[C@@H]1Cn2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc3c2c(ccc3Cl)O1 ZINC000035477479 571316795 /nfs/dbraw/zinc/31/67/95/571316795.db2.gz NLAWYLDJKBNFGM-OAHLLOKOSA-N 1 2 410.905 3.823 50 0 HHAALO CCCCn1c(C[N@H+](C)CCC2CCOCC2)cnc1S(=O)(=O)CC1CCC1 ZINC000011819945 962199575 /nfs/dbraw/zinc/19/95/75/962199575.db2.gz KVXQIKWJHBWXCG-UHFFFAOYSA-N 1 2 411.612 3.506 50 0 HHAALO CCCCn1c(C[N@@H+](C)CCC2CCOCC2)cnc1S(=O)(=O)CC1CCC1 ZINC000011819945 962199589 /nfs/dbraw/zinc/19/95/89/962199589.db2.gz KVXQIKWJHBWXCG-UHFFFAOYSA-N 1 2 411.612 3.506 50 0 HHAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000022590358 963682198 /nfs/dbraw/zinc/68/21/98/963682198.db2.gz MKNMKDADJVGSGX-UHFFFAOYSA-N 1 2 419.312 3.928 50 0 HHAALO O=C(/C=C/c1cccc(Br)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024378973 963991130 /nfs/dbraw/zinc/99/11/30/963991130.db2.gz UYCQYXQZSXUKMQ-CMDGGOBGSA-N 1 2 415.331 3.611 50 0 HHAALO COc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccccc2C)CC1 ZINC000059749678 966029015 /nfs/dbraw/zinc/02/90/15/966029015.db2.gz PBZVAJFSCGGMOF-UHFFFAOYSA-N 1 2 402.926 3.601 50 0 HHAALO O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096904473 969054386 /nfs/dbraw/zinc/05/43/86/969054386.db2.gz KBHOUKZOTXQOSI-DAXSKMNVSA-N 1 2 420.488 3.666 50 0 HHAALO Cc1ccc(-c2noc(CCC(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)n2)cc1 ZINC000096920285 969055043 /nfs/dbraw/zinc/05/50/43/969055043.db2.gz KGWAQNGQAISBOZ-YVMONPNESA-N 1 2 416.525 3.835 50 0 HHAALO COc1ccc(CN(C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)C2CC2)cc1 ZINC000096905313 969055156 /nfs/dbraw/zinc/05/51/56/969055156.db2.gz QKPYOCDBADXWAR-YVMONPNESA-N 1 2 419.569 3.517 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Cl ZINC000000708699 132231305 /nfs/dbraw/zinc/23/13/05/132231305.db2.gz CVOOCRPSZYGVTL-IBGZPJMESA-N 1 2 418.324 3.756 50 0 HHAALO Cc1[nH+]c(SCc2ccc(C(=O)NCC(C)C)cc2)nc(N2CCOCC2)c1C ZINC000006802016 132317430 /nfs/dbraw/zinc/31/74/30/132317430.db2.gz UILRZHYZTKBGLF-UHFFFAOYSA-N 1 2 414.575 3.608 50 0 HHAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2F)CC1 ZINC000007215872 132322845 /nfs/dbraw/zinc/32/28/45/132322845.db2.gz JPKUSBUPJFFHRG-HXUWFJFHSA-N 1 2 424.545 3.921 50 0 HHAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2F)CC1 ZINC000007215872 132322846 /nfs/dbraw/zinc/32/28/46/132322846.db2.gz JPKUSBUPJFFHRG-HXUWFJFHSA-N 1 2 424.545 3.921 50 0 HHAALO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)s1 ZINC000010718763 132346290 /nfs/dbraw/zinc/34/62/90/132346290.db2.gz GSFRPTVUSJBCOJ-UHFFFAOYSA-N 1 2 422.554 3.517 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012555190 132363479 /nfs/dbraw/zinc/36/34/79/132363479.db2.gz MOFHYJHNCNNHGZ-UHFFFAOYSA-N 1 2 407.489 3.770 50 0 HHAALO Cc1ccc(Nc2nc(NCCc3ccccc3)[nH+]c(N3CCOCC3)n2)cc1C ZINC000032603952 525326894 /nfs/dbraw/zinc/32/68/94/525326894.db2.gz RNVAHZWQVLGJIU-UHFFFAOYSA-N 1 2 404.518 3.723 50 0 HHAALO C[C@@H]1Cc2cc(-c3csc(Cc4cn5ccccc5[nH+]4)n3)ccc2N1S(C)(=O)=O ZINC000032899505 525515253 /nfs/dbraw/zinc/51/52/53/525515253.db2.gz VEQFLNRAKPYRRZ-CQSZACIVSA-N 1 2 424.551 3.759 50 0 HHAALO O=C(c1ccc2n[nH]nc2c1)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938226 526719396 /nfs/dbraw/zinc/71/93/96/526719396.db2.gz VVCBCKGZEPNPPU-UHFFFAOYSA-N 1 2 403.511 3.644 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1c(Cl)cccc1Cl ZINC000022805404 526774827 /nfs/dbraw/zinc/77/48/27/526774827.db2.gz VTLYYJYLHVGHQD-UHFFFAOYSA-N 1 2 420.340 3.685 50 0 HHAALO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cnn(Cc2ccccc2Cl)c1 ZINC000041789968 526804519 /nfs/dbraw/zinc/80/45/19/526804519.db2.gz STZXKMAQCDNKRF-UHFFFAOYSA-N 1 2 400.269 3.816 50 0 HHAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000006679373 537128531 /nfs/dbraw/zinc/12/85/31/537128531.db2.gz WFEOFCGAGGZJAP-HSZRJFAPSA-N 1 2 402.498 3.592 50 0 HHAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034857352 557477649 /nfs/dbraw/zinc/47/76/49/557477649.db2.gz GCLZRZLCRDHRHE-FQEVSTJZSA-N 1 2 424.472 3.965 50 0 HHAALO COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccco1)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034857352 557477650 /nfs/dbraw/zinc/47/76/50/557477650.db2.gz GCLZRZLCRDHRHE-FQEVSTJZSA-N 1 2 424.472 3.965 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022767498 557815179 /nfs/dbraw/zinc/81/51/79/557815179.db2.gz NMRJZPXASTUBAR-OAQYLSRUSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000022767498 557815181 /nfs/dbraw/zinc/81/51/81/557815181.db2.gz NMRJZPXASTUBAR-OAQYLSRUSA-N 1 2 416.543 3.965 50 0 HHAALO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1Cl ZINC000019782471 558281615 /nfs/dbraw/zinc/28/16/15/558281615.db2.gz YUAQEIFALPIACG-QNBZTBGESA-N 1 2 423.944 3.611 50 0 HHAALO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Cl ZINC000019782512 558281640 /nfs/dbraw/zinc/28/16/40/558281640.db2.gz CVOOCRPSZYGVTL-LJQANCHMSA-N 1 2 418.324 3.756 50 0 HHAALO O=C1C[C@H](c2ccc(F)cc2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000019899888 558304783 /nfs/dbraw/zinc/30/47/83/558304783.db2.gz DWJNXYSRTRXLSS-HXUWFJFHSA-N 1 2 416.500 3.851 50 0 HHAALO C[NH+]1CCN(C(=S)SCC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000020081680 558330794 /nfs/dbraw/zinc/33/07/94/558330794.db2.gz HNTXUILEEBVKHX-UHFFFAOYSA-N 1 2 411.596 3.715 50 0 HHAALO COc1cccc(C[NH+]2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)c1 ZINC000020274256 558353383 /nfs/dbraw/zinc/35/33/83/558353383.db2.gz FBJZUHMGHJQOSX-UHFFFAOYSA-N 1 2 408.329 3.758 50 0 HHAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)nc(N)c32)C1 ZINC000020358122 558357906 /nfs/dbraw/zinc/35/79/06/558357906.db2.gz CEOOLCXSQFKYQH-UHFFFAOYSA-N 1 2 419.963 3.646 50 0 HHAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4cccc(Cl)c4)nc(N)c32)C1 ZINC000020358122 558357907 /nfs/dbraw/zinc/35/79/07/558357907.db2.gz CEOOLCXSQFKYQH-UHFFFAOYSA-N 1 2 419.963 3.646 50 0 HHAALO O=Cc1ccccc1OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020366402 558358558 /nfs/dbraw/zinc/35/85/58/558358558.db2.gz IHRKUGKAEFBOIP-UHFFFAOYSA-N 1 2 413.827 3.767 50 0 HHAALO COC(=O)C1C(C[NH2+]Cc2ccccc2Cl)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020500983 558380963 /nfs/dbraw/zinc/38/09/63/558380963.db2.gz QGWPETSUOQEIPU-FQEVSTJZSA-N 1 2 413.905 3.528 50 0 HHAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012441393 558412065 /nfs/dbraw/zinc/41/20/65/558412065.db2.gz AMXZZNVSFWULLI-UHFFFAOYSA-N 1 2 405.458 3.586 50 0 HHAALO CS(=O)(=O)c1ncc(C[N@H+](CC2CCC2)C[C@H]2CCCO2)n1CC1CCCCC1 ZINC000012447353 558414979 /nfs/dbraw/zinc/41/49/79/558414979.db2.gz ISXJXBPJIQJYOW-OAQYLSRUSA-N 1 2 423.623 3.648 50 0 HHAALO CS(=O)(=O)c1ncc(C[N@@H+](CC2CCC2)C[C@H]2CCCO2)n1CC1CCCCC1 ZINC000012447353 558414983 /nfs/dbraw/zinc/41/49/83/558414983.db2.gz ISXJXBPJIQJYOW-OAQYLSRUSA-N 1 2 423.623 3.648 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)NCc1ccc(F)cc1 ZINC000004341557 558425125 /nfs/dbraw/zinc/42/51/25/558425125.db2.gz NXODLVNFFGXPJC-UHFFFAOYSA-N 1 2 411.437 3.502 50 0 HHAALO COc1ccc(C[N@@H+]2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)cc1 ZINC000021038653 558430078 /nfs/dbraw/zinc/43/00/78/558430078.db2.gz BAJDFDVMARECFD-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO COc1ccc(C[N@H+]2CCc3nc(Nc4cc(OC)cc(OC)c4)ncc3C2)cc1 ZINC000021038653 558430082 /nfs/dbraw/zinc/43/00/82/558430082.db2.gz BAJDFDVMARECFD-UHFFFAOYSA-N 1 2 406.486 3.804 50 0 HHAALO Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021867551 558453002 /nfs/dbraw/zinc/45/30/02/558453002.db2.gz XRZLLZYKVBTUAC-UHFFFAOYSA-N 1 2 413.568 3.942 50 0 HHAALO Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+]4CCC[C@H]4C(=O)N(C)C)cc3)sc2c1 ZINC000022013986 558457738 /nfs/dbraw/zinc/45/77/38/558457738.db2.gz YRBOPXKYUXOPFE-IBGZPJMESA-N 1 2 422.554 3.763 50 0 HHAALO Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+]4CCC[C@H]4C(=O)N(C)C)cc3)sc2c1 ZINC000022013986 558457741 /nfs/dbraw/zinc/45/77/41/558457741.db2.gz YRBOPXKYUXOPFE-IBGZPJMESA-N 1 2 422.554 3.763 50 0 HHAALO CCc1ccc(Cl)c(CC)c1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000022065259 558461071 /nfs/dbraw/zinc/46/10/71/558461071.db2.gz ZCRILPAOTBFWBO-UHFFFAOYSA-N 1 2 400.954 3.616 50 0 HHAALO C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022184496 558465379 /nfs/dbraw/zinc/46/53/79/558465379.db2.gz UGIGIGYLSFLGDV-QVKFZJNVSA-N 1 2 421.522 3.868 50 0 HHAALO C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022184496 558465381 /nfs/dbraw/zinc/46/53/81/558465381.db2.gz UGIGIGYLSFLGDV-QVKFZJNVSA-N 1 2 421.522 3.868 50 0 HHAALO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000022608853 558501006 /nfs/dbraw/zinc/50/10/06/558501006.db2.gz COTKIYWKDNSGOI-FQEVSTJZSA-N 1 2 416.949 3.803 50 0 HHAALO CCc1cccc(C)c1N(C(=O)Cn1c(CCCO)[nH+]c2ccccc21)[C@H](C)COC ZINC000013018332 558504448 /nfs/dbraw/zinc/50/44/48/558504448.db2.gz QKMXZYRTFASHTC-LJQANCHMSA-N 1 2 423.557 3.900 50 0 HHAALO O=C(CCCc1nc2ccccc2s1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000022749045 558507415 /nfs/dbraw/zinc/50/74/15/558507415.db2.gz GGAYTOZAOPNGOS-HXUWFJFHSA-N 1 2 409.555 3.809 50 0 HHAALO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)Nc3ccccc3-c3ccccc3)CC2)no1 ZINC000022799455 558512617 /nfs/dbraw/zinc/51/26/17/558512617.db2.gz KELHNUNKKFBTDL-LJQANCHMSA-N 1 2 404.514 3.795 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1)NC1CC1 ZINC000022814985 558514267 /nfs/dbraw/zinc/51/42/67/558514267.db2.gz DRCAGNCZIMSZKX-UHFFFAOYSA-N 1 2 408.329 3.650 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013120917 558517077 /nfs/dbraw/zinc/51/70/77/558517077.db2.gz DHMZDRAXSHGRPB-GFCCVEGCSA-N 1 2 421.448 3.905 50 0 HHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000013120917 558517080 /nfs/dbraw/zinc/51/70/80/558517080.db2.gz DHMZDRAXSHGRPB-GFCCVEGCSA-N 1 2 421.448 3.905 50 0 HHAALO CCC(CC)[C@H](CNC(=O)c1sc(-c2ccccc2)nc1C)[NH+]1CCOCC1 ZINC000022898853 558519160 /nfs/dbraw/zinc/51/91/60/558519160.db2.gz FGQKRRVUBJTAHH-IBGZPJMESA-N 1 2 401.576 3.985 50 0 HHAALO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)ccc1Br ZINC000022912392 558519724 /nfs/dbraw/zinc/51/97/24/558519724.db2.gz WFWHPDZVYZSIJW-UHFFFAOYSA-N 1 2 408.365 3.575 50 0 HHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000022913351 558520346 /nfs/dbraw/zinc/52/03/46/558520346.db2.gz XZVKUQKLYWSWFI-DEOSSOPVSA-N 1 2 422.548 3.697 50 0 HHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000022913351 558520350 /nfs/dbraw/zinc/52/03/50/558520350.db2.gz XZVKUQKLYWSWFI-DEOSSOPVSA-N 1 2 422.548 3.697 50 0 HHAALO CC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022934455 558525841 /nfs/dbraw/zinc/52/58/41/558525841.db2.gz PFGINYNSXGJNKA-UHFFFAOYSA-N 1 2 407.539 3.860 50 0 HHAALO CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023760939 558574257 /nfs/dbraw/zinc/57/42/57/558574257.db2.gz SPLYFJZIBXOCRD-UHFFFAOYSA-N 1 2 423.557 3.575 50 0 HHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(OCc2cscn2)cc1 ZINC000023881473 558579786 /nfs/dbraw/zinc/57/97/86/558579786.db2.gz ZOAOFMMCEAHNLB-QFIPXVFZSA-N 1 2 423.538 3.525 50 0 HHAALO CC(=O)Nc1ccc(CC(=O)N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000024084317 558588088 /nfs/dbraw/zinc/58/80/88/558588088.db2.gz LDHDAULEJHPDCC-UHFFFAOYSA-N 1 2 419.447 3.551 50 0 HHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000024209564 558592297 /nfs/dbraw/zinc/59/22/97/558592297.db2.gz OBRVPEASYNJICM-OAQYLSRUSA-N 1 2 402.922 3.525 50 0 HHAALO C[C@@H](c1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500434 558612749 /nfs/dbraw/zinc/61/27/49/558612749.db2.gz MCZISEDWQXKYCV-HNNXBMFYSA-N 1 2 405.543 3.524 50 0 HHAALO O=C(Nc1ccccc1O)C1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000024844246 558617451 /nfs/dbraw/zinc/61/74/51/558617451.db2.gz RIRZJLBAZQRGHT-UHFFFAOYSA-N 1 2 412.877 3.545 50 0 HHAALO O=C(NN1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1Br ZINC000025326812 558638195 /nfs/dbraw/zinc/63/81/95/558638195.db2.gz MSYVEGGTYAPJCH-UHFFFAOYSA-N 1 2 408.727 3.565 50 0 HHAALO O=S(=O)(c1ccccc1F)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000025606898 558645516 /nfs/dbraw/zinc/64/55/16/558645516.db2.gz RVKQMLMGBJJFCE-UHFFFAOYSA-N 1 2 410.514 3.999 50 0 HHAALO O=C(NC1CC[NH+](CN2C(=O)c3cccc4cccc2c34)CC1)c1ccc(F)cc1 ZINC000026650154 558664017 /nfs/dbraw/zinc/66/40/17/558664017.db2.gz PBEHDIZFSKCGHI-UHFFFAOYSA-N 1 2 403.457 3.791 50 0 HHAALO O=C(Cc1coc2cc3c(cc12)CCC3)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000027146165 558670079 /nfs/dbraw/zinc/67/00/79/558670079.db2.gz QGXWAJJLZNJZPS-FQEVSTJZSA-N 1 2 410.539 3.715 50 0 HHAALO COc1ccc(-c2nc(C(=O)N3CC[NH+](C)CC3)sc2-c2ccc(OC)cc2)cc1 ZINC000027638621 558677495 /nfs/dbraw/zinc/67/74/95/558677495.db2.gz UBHKJRYGKOSQDJ-UHFFFAOYSA-N 1 2 423.538 3.882 50 0 in-vitro HHAALO Cc1cc(C)c(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(Cl)c1 ZINC000015044442 558704195 /nfs/dbraw/zinc/70/41/95/558704195.db2.gz MUZWUABTDPRPNX-UHFFFAOYSA-N 1 2 415.921 3.952 50 0 HHAALO C[C@@H](Cc1ccccn1)NC(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000015068933 558711507 /nfs/dbraw/zinc/71/15/07/558711507.db2.gz MQHBGPRSMNSLFP-UUOWRZLLSA-N 1 2 419.500 3.904 50 0 HHAALO C[C@@H](Cc1ccccn1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000015068933 558711510 /nfs/dbraw/zinc/71/15/10/558711510.db2.gz MQHBGPRSMNSLFP-UUOWRZLLSA-N 1 2 419.500 3.904 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000029734740 558719634 /nfs/dbraw/zinc/71/96/34/558719634.db2.gz BGHITMLGLMLSCJ-HSZRJFAPSA-N 1 2 416.525 3.701 50 0 HHAALO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000004576996 558751841 /nfs/dbraw/zinc/75/18/41/558751841.db2.gz JXAUQNCIIPMRLD-UHFFFAOYSA-N 1 2 400.906 3.875 50 0 HHAALO CCCOc1ccccc1[C@@H](CC(C)C)Nc1[nH+]cnc2c1cnn2CC(=O)OC ZINC000072307331 558767183 /nfs/dbraw/zinc/76/71/83/558767183.db2.gz JRADJJGGCKXNJW-GOSISDBHSA-N 1 2 411.506 3.987 50 0 HHAALO Cc1ccc(NC(=O)COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)c(C)c1 ZINC000004583862 558774095 /nfs/dbraw/zinc/77/40/95/558774095.db2.gz FCSSFNMPWGPIAL-UHFFFAOYSA-N 1 2 418.493 3.832 50 0 HHAALO Cc1ccc(NC(=O)COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)c(C)c1 ZINC000004583862 558774096 /nfs/dbraw/zinc/77/40/96/558774096.db2.gz FCSSFNMPWGPIAL-UHFFFAOYSA-N 1 2 418.493 3.832 50 0 HHAALO O=C(c1ccc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2c1)N1CCCC1 ZINC000035512285 558793134 /nfs/dbraw/zinc/79/31/34/558793134.db2.gz JUSYPZKNXMZXMM-UHFFFAOYSA-N 1 2 404.489 3.937 50 0 HHAALO COC(=O)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000035900513 558795792 /nfs/dbraw/zinc/79/57/92/558795792.db2.gz LHFPKCSLFHZBJD-GOSISDBHSA-N 1 2 407.297 3.922 50 0 HHAALO COC(=O)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000035900513 558795793 /nfs/dbraw/zinc/79/57/93/558795793.db2.gz LHFPKCSLFHZBJD-GOSISDBHSA-N 1 2 407.297 3.922 50 0 HHAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000036705828 558801186 /nfs/dbraw/zinc/80/11/86/558801186.db2.gz DJCNRBGOZXMQJK-UHFFFAOYSA-N 1 2 414.425 3.695 50 0 HHAALO CCn1nc(C)c(CNC(=O)C[N@H+]2Cc3ccccc3O[C@H](c3ccsc3)C2)c1C ZINC000039489757 558821722 /nfs/dbraw/zinc/82/17/22/558821722.db2.gz VTOIUSKTWWBTEH-QFIPXVFZSA-N 1 2 424.570 3.833 50 0 HHAALO CCn1nc(C)c(CNC(=O)C[N@@H+]2Cc3ccccc3O[C@H](c3ccsc3)C2)c1C ZINC000039489757 558821723 /nfs/dbraw/zinc/82/17/23/558821723.db2.gz VTOIUSKTWWBTEH-QFIPXVFZSA-N 1 2 424.570 3.833 50 0 HHAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000018107454 558831233 /nfs/dbraw/zinc/83/12/33/558831233.db2.gz MPIGMUOCQLDNCP-DEOSSOPVSA-N 1 2 411.505 3.808 50 0 HHAALO CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004597473 558833906 /nfs/dbraw/zinc/83/39/06/558833906.db2.gz DHRGEWSQJSHDEJ-FQEVSTJZSA-N 1 2 408.889 3.837 50 0 HHAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1 ZINC000019224528 558852345 /nfs/dbraw/zinc/85/23/45/558852345.db2.gz GTHMVYPPTLYONK-IBGZPJMESA-N 1 2 410.905 3.979 50 0 HHAALO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1 ZINC000019224528 558852348 /nfs/dbraw/zinc/85/23/48/558852348.db2.gz GTHMVYPPTLYONK-IBGZPJMESA-N 1 2 410.905 3.979 50 0 HHAALO CCc1ccc(N2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000054225079 558866942 /nfs/dbraw/zinc/86/69/42/558866942.db2.gz MGLWAUBETXIINB-UHFFFAOYSA-N 1 2 402.336 3.772 50 0 HHAALO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055099694 558872376 /nfs/dbraw/zinc/87/23/76/558872376.db2.gz MSLVCMAGSCJNAA-FQEVSTJZSA-N 1 2 419.481 3.796 50 0 HHAALO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055099694 558872378 /nfs/dbraw/zinc/87/23/78/558872378.db2.gz MSLVCMAGSCJNAA-FQEVSTJZSA-N 1 2 419.481 3.796 50 0 HHAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000033106515 558874225 /nfs/dbraw/zinc/87/42/25/558874225.db2.gz LOHWOHOLJCBUSR-UHFFFAOYSA-N 1 2 414.307 3.690 50 0 HHAALO CCOc1ccccc1-c1nc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCC(=O)N2)c(C)o1 ZINC000055568917 558882880 /nfs/dbraw/zinc/88/28/80/558882880.db2.gz HUWZLQQPKXLGCK-IBGZPJMESA-N 1 2 420.513 3.725 50 0 HHAALO CCOc1ccccc1-c1nc(C[N@H+](Cc2cccnc2)C[C@@H]2CCC(=O)N2)c(C)o1 ZINC000055568917 558882882 /nfs/dbraw/zinc/88/28/82/558882882.db2.gz HUWZLQQPKXLGCK-IBGZPJMESA-N 1 2 420.513 3.725 50 0 HHAALO COc1cc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000057530793 558888978 /nfs/dbraw/zinc/88/89/78/558888978.db2.gz IEFADIROIRCBOT-UHFFFAOYSA-N 1 2 419.909 3.716 50 0 HHAALO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000058002836 558893832 /nfs/dbraw/zinc/89/38/32/558893832.db2.gz HXRIFIGBCKPMJY-NRFANRHFSA-N 1 2 419.485 3.575 50 0 HHAALO Nc1nc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc(Nc2ccccc2)n1 ZINC000058146003 558902143 /nfs/dbraw/zinc/90/21/43/558902143.db2.gz KWWAGZYPSQZBHY-SFHVURJKSA-N 1 2 418.501 3.696 50 0 HHAALO Nc1nc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc(Nc2ccccc2)n1 ZINC000058146003 558902145 /nfs/dbraw/zinc/90/21/45/558902145.db2.gz KWWAGZYPSQZBHY-SFHVURJKSA-N 1 2 418.501 3.696 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000058172422 558908369 /nfs/dbraw/zinc/90/83/69/558908369.db2.gz XNSUWQVRQNVBSI-UHFFFAOYSA-N 1 2 423.513 3.585 50 0 HHAALO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(c2cc(NCCO)nc[nH+]2)C1 ZINC000071764873 558910687 /nfs/dbraw/zinc/91/06/87/558910687.db2.gz YEGHCPFXOSFABV-OAQYLSRUSA-N 1 2 402.498 3.647 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000058308198 558918462 /nfs/dbraw/zinc/91/84/62/558918462.db2.gz RQYIVRRLMBPZPT-IBGZPJMESA-N 1 2 406.490 3.767 50 0 HHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000058308196 558918473 /nfs/dbraw/zinc/91/84/73/558918473.db2.gz RQYIVRRLMBPZPT-LJQANCHMSA-N 1 2 406.490 3.767 50 0 HHAALO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000019608197 558946608 /nfs/dbraw/zinc/94/66/08/558946608.db2.gz USMSXFLSEJWNRC-UHFFFAOYSA-N 1 2 408.527 3.512 50 0 HHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cnc(C)nc2)nc2ccc(F)cc21 ZINC000063835364 558959197 /nfs/dbraw/zinc/95/91/97/558959197.db2.gz UDADHTBHMDASDK-UHFFFAOYSA-N 1 2 404.449 3.535 50 0 HHAALO Cc1ccc2c(c1)nc(-c1cncnc1)cc2C(=O)N(Cc1[nH+]ccn1C)C(C)C ZINC000063856715 558959839 /nfs/dbraw/zinc/95/98/39/558959839.db2.gz QGGIHPGSZVNDOI-UHFFFAOYSA-N 1 2 400.486 3.785 50 0 HHAALO CN1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1=O ZINC000072408339 558977424 /nfs/dbraw/zinc/97/74/24/558977424.db2.gz XCKQMCVZDMOTIM-UHFFFAOYSA-N 1 2 409.873 3.558 50 0 HHAALO CN1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1=O ZINC000072408339 558977426 /nfs/dbraw/zinc/97/74/26/558977426.db2.gz XCKQMCVZDMOTIM-UHFFFAOYSA-N 1 2 409.873 3.558 50 0 HHAALO COc1ccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)[nH+]3)CC2)cc1 ZINC000033318304 559055908 /nfs/dbraw/zinc/05/59/08/559055908.db2.gz NQRMYRPTXYXSAA-UHFFFAOYSA-N 1 2 417.513 3.808 50 0 HHAALO Cc1nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000033318349 559055930 /nfs/dbraw/zinc/05/59/30/559055930.db2.gz GHBSTEAHQPPFLB-UHFFFAOYSA-N 1 2 403.486 3.546 50 0 HHAALO O=C1C[N@@H+](CCCO)[C@H](Cc2ccccc2)CN1c1cccc(-c2ccccc2)c1 ZINC000091779748 559073610 /nfs/dbraw/zinc/07/36/10/559073610.db2.gz GDRDYNIAYBSOMS-RUZDIDTESA-N 1 2 400.522 3.996 50 0 HHAALO O=C1C[N@H+](CCCO)[C@H](Cc2ccccc2)CN1c1cccc(-c2ccccc2)c1 ZINC000091779748 559073612 /nfs/dbraw/zinc/07/36/12/559073612.db2.gz GDRDYNIAYBSOMS-RUZDIDTESA-N 1 2 400.522 3.996 50 0 HHAALO CC(C)OC(=O)CSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000011416385 559073878 /nfs/dbraw/zinc/07/38/78/559073878.db2.gz BNNGNQODNKOTHV-OAHLLOKOSA-N 1 2 406.527 3.997 50 0 HHAALO COc1ccc(C(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)cc1 ZINC000024023359 559187829 /nfs/dbraw/zinc/18/78/29/559187829.db2.gz IHQGULKUWCENIG-UHFFFAOYSA-N 1 2 419.485 3.626 50 0 HHAALO O=C(c1ccc(F)c(F)c1)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695711 559188983 /nfs/dbraw/zinc/18/89/83/559188983.db2.gz IOJKQFRVFBXEKW-UHFFFAOYSA-N 1 2 402.832 3.766 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000033749567 559240733 /nfs/dbraw/zinc/24/07/33/559240733.db2.gz LPUXTZWNWDSBQR-SJCJKPOMSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000033749567 559240735 /nfs/dbraw/zinc/24/07/35/559240735.db2.gz LPUXTZWNWDSBQR-SJCJKPOMSA-N 1 2 402.520 3.643 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)NCc1ccccc1 ZINC000001346683 560576524 /nfs/dbraw/zinc/57/65/24/560576524.db2.gz CCBICPOXISQZRX-UHFFFAOYSA-N 1 2 409.902 3.877 50 0 HHAALO COc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000005499623 560598390 /nfs/dbraw/zinc/59/83/90/560598390.db2.gz FUDSHYYEWMLDER-UHFFFAOYSA-N 1 2 405.483 3.863 50 0 HHAALO COc1cc2nc(SCC(C)C)n(CCCn3cc[nH+]c3)c(=N)c2cc1OC ZINC000100911245 560762492 /nfs/dbraw/zinc/76/24/92/560762492.db2.gz NUKHKTREUHWEEH-UHFFFAOYSA-N 1 2 401.536 3.568 50 0 HHAALO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000110914649 560886889 /nfs/dbraw/zinc/88/68/89/560886889.db2.gz GJRCGOWKQQVACS-FQEVSTJZSA-N 1 2 421.394 3.757 50 0 HHAALO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000110914649 560886892 /nfs/dbraw/zinc/88/68/92/560886892.db2.gz GJRCGOWKQQVACS-FQEVSTJZSA-N 1 2 421.394 3.757 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@H](C)Cn3cc[nH+]c3)[C@H]2c2cccs2)cc1 ZINC000048273234 568434080 /nfs/dbraw/zinc/43/40/80/568434080.db2.gz PIIOCFNCGFZODF-MDKPJZGXSA-N 1 2 408.527 3.552 50 0 HHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000048252326 568434333 /nfs/dbraw/zinc/43/43/33/568434333.db2.gz BRTDLXUNTFSATR-QFIPXVFZSA-N 1 2 409.530 3.950 50 0 HHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000048310528 568436634 /nfs/dbraw/zinc/43/66/34/568436634.db2.gz IEEOMPOCMCAALT-UHFFFAOYSA-N 1 2 417.509 3.831 50 0 HHAALO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)c1ccc(Br)cc1 ZINC000049546055 568451328 /nfs/dbraw/zinc/45/13/28/568451328.db2.gz AYGHZTBOINHLSL-UHFFFAOYSA-N 1 2 406.276 3.650 50 0 HHAALO CC1CC[NH+](CN2c3ccccc3C3(OCC(C)(c4ccccc4)CO3)C2=O)CC1 ZINC000000709686 568463663 /nfs/dbraw/zinc/46/36/63/568463663.db2.gz OXSMDQCQPQSNNT-UHFFFAOYSA-N 1 2 406.526 3.880 50 0 HHAALO C[C@@H](NC(=O)c1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000020288947 568597980 /nfs/dbraw/zinc/59/79/80/568597980.db2.gz LENHHZAUIWTXAM-VGSWGCGISA-N 1 2 424.545 3.964 50 0 HHAALO COc1ccc(Br)cc1C[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000095450120 568614125 /nfs/dbraw/zinc/61/41/25/568614125.db2.gz YLVHIHUCYUQFJP-CYBMUJFWSA-N 1 2 421.299 3.503 50 0 HHAALO Cc1cccc([S@@](=O)Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000020514480 568622340 /nfs/dbraw/zinc/62/23/40/568622340.db2.gz WINZBXSEZOQJRJ-SSEXGKCCSA-N 1 2 422.550 3.854 50 0 HHAALO O=S(=O)(Nc1c[nH+]c[nH]1)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000225392273 568633821 /nfs/dbraw/zinc/63/38/21/568633821.db2.gz NXEJYGBPBBJILH-UHFFFAOYSA-N 1 2 412.240 3.904 50 0 HHAALO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CCCN(CC(F)F)CC1 ZINC000225522892 568646826 /nfs/dbraw/zinc/64/68/26/568646826.db2.gz UFRVBLHVHBWZLZ-UHFFFAOYSA-N 1 2 403.477 3.691 50 0 HHAALO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)c1nc2ccccc2n1CC ZINC000095941266 568661923 /nfs/dbraw/zinc/66/19/23/568661923.db2.gz CCZROSSHDWELOP-CYBMUJFWSA-N 1 2 400.504 3.584 50 0 HHAALO COCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158726 568674032 /nfs/dbraw/zinc/67/40/32/568674032.db2.gz ZRZQIAZFDUIDTG-UHFFFAOYSA-N 1 2 424.520 3.593 50 0 HHAALO CC[C@H](C)c1nc(N2CCN(C(=O)COC)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316969 568726046 /nfs/dbraw/zinc/72/60/46/568726046.db2.gz QPCDJXHURDZKSP-SFHVURJKSA-N 1 2 424.589 3.801 50 0 HHAALO Cc1nc(N2CCN(C(=O)C3CC3)CC2)c(Cc2ccccc2F)c(C(C)(C)C)[nH+]1 ZINC000096318068 568727045 /nfs/dbraw/zinc/72/70/45/568727045.db2.gz ZEIVFESMAWTPJU-UHFFFAOYSA-N 1 2 410.537 3.871 50 0 HHAALO C[NH+](C)Cc1nc([C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC(F)(F)F)no1 ZINC000240412690 568730080 /nfs/dbraw/zinc/73/00/80/568730080.db2.gz FNUFYMYCJGJTTK-AWEZNQCLSA-N 1 2 416.400 3.644 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000000937645 568751681 /nfs/dbraw/zinc/75/16/81/568751681.db2.gz NOAOUNVEUYGBLF-UHFFFAOYSA-N 1 2 404.451 3.562 50 0 HHAALO Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)c1 ZINC000021794435 568753422 /nfs/dbraw/zinc/75/34/22/568753422.db2.gz YGEICXXYEZNHSY-UHFFFAOYSA-N 1 2 403.486 3.926 50 0 HHAALO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000021794453 568753432 /nfs/dbraw/zinc/75/34/32/568753432.db2.gz FNYIREFXLLUQLN-UHFFFAOYSA-N 1 2 419.485 3.626 50 0 HHAALO Cc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000022468304 568768438 /nfs/dbraw/zinc/76/84/38/568768438.db2.gz BIZCTALIAYDYME-UHFFFAOYSA-N 1 2 418.994 3.965 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cc2c(c(Cl)c1)OCO2)c1ccccc1F ZINC000025468601 568770318 /nfs/dbraw/zinc/77/03/18/568770318.db2.gz QOBZLHDGYRJFRB-OVKVCFKUSA-N 1 2 413.836 3.860 50 0 HHAALO O=C(C[NH+]1CCC(C(F)(F)F)CC1)NCc1ncc(C(F)(F)F)cc1Cl ZINC000261495024 568820768 /nfs/dbraw/zinc/82/07/68/568820768.db2.gz OOYSHARWNOBPIJ-UHFFFAOYSA-N 1 2 403.754 3.644 50 0 HHAALO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1)CC3 ZINC000057058865 568824045 /nfs/dbraw/zinc/82/40/45/568824045.db2.gz RBAQJKQTFAIPRX-UHFFFAOYSA-N 1 2 416.569 3.800 50 0 HHAALO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057358624 568827604 /nfs/dbraw/zinc/82/76/04/568827604.db2.gz JDGVORPZYFMKMS-CQSZACIVSA-N 1 2 421.419 3.583 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057363723 568829136 /nfs/dbraw/zinc/82/91/36/568829136.db2.gz XZNYVAAKDJZHBE-LJQANCHMSA-N 1 2 403.320 3.909 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000057363723 568829138 /nfs/dbraw/zinc/82/91/38/568829138.db2.gz XZNYVAAKDJZHBE-LJQANCHMSA-N 1 2 403.320 3.909 50 0 HHAALO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406132 568832818 /nfs/dbraw/zinc/83/28/18/568832818.db2.gz JDUSKWGUSZLCPF-HXUWFJFHSA-N 1 2 415.537 3.809 50 0 HHAALO COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCCCn1cc[nH+]c1 ZINC000005988073 568834383 /nfs/dbraw/zinc/83/43/83/568834383.db2.gz PDQGGZCMELBGMB-UHFFFAOYSA-N 1 2 400.529 3.775 50 0 HHAALO Cc1ccc2[nH+]c(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)cn2c1 ZINC000012548372 568851403 /nfs/dbraw/zinc/85/14/03/568851403.db2.gz MZJISEGQPZAADV-RUZDIDTESA-N 1 2 410.477 3.833 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(Br)cc1)c1cccc(F)c1 ZINC000012550149 568852316 /nfs/dbraw/zinc/85/23/16/568852316.db2.gz BZTQLGHUXXUZBP-GOSISDBHSA-N 1 2 418.266 3.606 50 0 HHAALO Cc1ccc(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c(Br)c1 ZINC000012574394 568862365 /nfs/dbraw/zinc/86/23/65/568862365.db2.gz XEUMIOGDOKOIHA-LJQANCHMSA-N 1 2 414.303 3.776 50 0 HHAALO C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012581278 568864770 /nfs/dbraw/zinc/86/47/70/568864770.db2.gz OYHBLQBUCMDXHU-KSSFIOAISA-N 1 2 414.303 3.856 50 0 HHAALO C[C@@H]1CCc2sc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc2C1 ZINC000012614510 568871737 /nfs/dbraw/zinc/87/17/37/568871737.db2.gz IHMJYDDHAYIFGY-MRXNPFEDSA-N 1 2 411.571 3.706 50 0 HHAALO C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000299774291 568874613 /nfs/dbraw/zinc/87/46/13/568874613.db2.gz BOUJPUUIMYBWQU-QGZVFWFLSA-N 1 2 422.529 3.711 50 0 HHAALO C[C@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000299774291 568874614 /nfs/dbraw/zinc/87/46/14/568874614.db2.gz BOUJPUUIMYBWQU-QGZVFWFLSA-N 1 2 422.529 3.711 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)OCc1ccccc1 ZINC000058133911 568889912 /nfs/dbraw/zinc/88/99/12/568889912.db2.gz XTQZNNAKYAMJIM-XMMPIXPASA-N 1 2 416.525 3.871 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000058135934 568890197 /nfs/dbraw/zinc/89/01/97/568890197.db2.gz GVLCLTINIFMPER-HXUWFJFHSA-N 1 2 410.518 3.576 50 0 HHAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCN(c3ccccc3F)CC1)S2 ZINC000004057581 568936681 /nfs/dbraw/zinc/93/66/81/568936681.db2.gz OHUUODRPCFTKFN-IBGZPJMESA-N 1 2 423.517 3.856 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)NC(=O)NCc1ccccc1 ZINC000015548698 568949039 /nfs/dbraw/zinc/94/90/39/568949039.db2.gz ANWDFLFFRJTRCI-HXUWFJFHSA-N 1 2 411.552 3.783 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)NC(=O)NCc1ccccc1 ZINC000015548698 568949041 /nfs/dbraw/zinc/94/90/41/568949041.db2.gz ANWDFLFFRJTRCI-HXUWFJFHSA-N 1 2 411.552 3.783 50 0 HHAALO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000008121603 568974509 /nfs/dbraw/zinc/97/45/09/568974509.db2.gz KZCDSHHTVFILSH-UHFFFAOYSA-N 1 2 415.493 3.944 50 0 HHAALO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000008121603 568974512 /nfs/dbraw/zinc/97/45/12/568974512.db2.gz KZCDSHHTVFILSH-UHFFFAOYSA-N 1 2 415.493 3.944 50 0 HHAALO COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000008135702 568977009 /nfs/dbraw/zinc/97/70/09/568977009.db2.gz IEYHIORIKURIGK-UHFFFAOYSA-N 1 2 401.488 3.581 50 0 HHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012823985 569007555 /nfs/dbraw/zinc/00/75/55/569007555.db2.gz SLQLLQWJLSMAJC-MRXNPFEDSA-N 1 2 406.486 3.847 50 0 HHAALO O=C(c1ccccc1Br)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000026080789 569007636 /nfs/dbraw/zinc/00/76/36/569007636.db2.gz LGFVIEZKDVXBAQ-UHFFFAOYSA-N 1 2 423.738 3.939 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C ZINC000104491501 569008878 /nfs/dbraw/zinc/00/88/78/569008878.db2.gz DNHYOAIUKCOWJH-XMMPIXPASA-N 1 2 410.558 3.583 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)c(C)c1C ZINC000104491501 569008879 /nfs/dbraw/zinc/00/88/79/569008879.db2.gz DNHYOAIUKCOWJH-XMMPIXPASA-N 1 2 410.558 3.583 50 0 HHAALO COc1cccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)c1 ZINC000104496928 569008898 /nfs/dbraw/zinc/00/88/98/569008898.db2.gz CCECIBGDBLVZJV-OAQYLSRUSA-N 1 2 423.582 3.888 50 0 HHAALO COc1cccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)c1 ZINC000104496928 569008899 /nfs/dbraw/zinc/00/88/99/569008899.db2.gz CCECIBGDBLVZJV-OAQYLSRUSA-N 1 2 423.582 3.888 50 0 HHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(C(=O)OC)ccc3C)c2C1 ZINC000012856182 569011087 /nfs/dbraw/zinc/01/10/87/569011087.db2.gz HSGICYDCYPCXFB-UHFFFAOYSA-N 1 2 403.482 3.960 50 0 HHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(C(=O)OC)ccc3C)c2C1 ZINC000012856182 569011088 /nfs/dbraw/zinc/01/10/88/569011088.db2.gz HSGICYDCYPCXFB-UHFFFAOYSA-N 1 2 403.482 3.960 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1)Nc1ccccc1 ZINC000012869031 569012441 /nfs/dbraw/zinc/01/24/41/569012441.db2.gz PIIWKYFXQVKBBW-VQTJNVASSA-N 1 2 411.933 3.663 50 0 HHAALO O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012934471 569026216 /nfs/dbraw/zinc/02/62/16/569026216.db2.gz BQNCYANGUUBOGI-UHFFFAOYSA-N 1 2 410.905 3.669 50 0 HHAALO Cc1cc2ncc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)c(C)n2n1 ZINC000012948736 569029326 /nfs/dbraw/zinc/02/93/26/569029326.db2.gz XPGFGHUBGPHTQJ-UHFFFAOYSA-N 1 2 418.526 3.613 50 0 HHAALO Cc1cc2ncc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)c(C)n2n1 ZINC000012948736 569029327 /nfs/dbraw/zinc/02/93/27/569029327.db2.gz XPGFGHUBGPHTQJ-UHFFFAOYSA-N 1 2 418.526 3.613 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4ccc(F)cc4)CC3)cn2)cc1 ZINC000035403750 569035577 /nfs/dbraw/zinc/03/55/77/569035577.db2.gz WJFXVGFRXKWIHB-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4ccc(F)cc4)CC3)cn2)cc1 ZINC000035403750 569035578 /nfs/dbraw/zinc/03/55/78/569035578.db2.gz WJFXVGFRXKWIHB-UHFFFAOYSA-N 1 2 404.489 3.725 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccc(F)c1 ZINC000035404422 569035688 /nfs/dbraw/zinc/03/56/88/569035688.db2.gz ZPZRIGMZUJYARW-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCc1cccc(F)c1 ZINC000035404422 569035689 /nfs/dbraw/zinc/03/56/89/569035689.db2.gz ZPZRIGMZUJYARW-UHFFFAOYSA-N 1 2 408.452 3.556 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1cccc(Cl)c1 ZINC000035404240 569035741 /nfs/dbraw/zinc/03/57/41/569035741.db2.gz FEECJRRNXZHBMH-UHFFFAOYSA-N 1 2 406.917 3.931 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCc1cccc(Cl)c1 ZINC000035404240 569035742 /nfs/dbraw/zinc/03/57/42/569035742.db2.gz FEECJRRNXZHBMH-UHFFFAOYSA-N 1 2 406.917 3.931 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)Cn3cc[nH+]c3)[C@@H]2c2cccs2)cc1 ZINC000229522348 569040507 /nfs/dbraw/zinc/04/05/07/569040507.db2.gz PIIOCFNCGFZODF-PLMTUMEDSA-N 1 2 408.527 3.552 50 0 HHAALO COc1ccc(CCNC(=O)c2ccc(Cn3c(C)[nH+]c4ccccc43)o2)cc1OC ZINC000035597049 569045607 /nfs/dbraw/zinc/04/56/07/569045607.db2.gz SMNRBIAXPDSRTQ-UHFFFAOYSA-N 1 2 419.481 3.976 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000013003838 569049363 /nfs/dbraw/zinc/04/93/63/569049363.db2.gz LUQGGYWFKVIELT-SFHVURJKSA-N 1 2 410.518 3.527 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000013003838 569049364 /nfs/dbraw/zinc/04/93/64/569049364.db2.gz LUQGGYWFKVIELT-SFHVURJKSA-N 1 2 410.518 3.527 50 0 HHAALO CN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064227 569064266 /nfs/dbraw/zinc/06/42/66/569064266.db2.gz BZHLYMGLKOUBBH-LJQANCHMSA-N 1 2 416.706 3.950 50 0 biogenic HHAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000054277338 569064441 /nfs/dbraw/zinc/06/44/41/569064441.db2.gz ZKUNPLHWXPKTAH-UHFFFAOYSA-N 1 2 418.335 3.527 50 0 HHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1 ZINC000006590823 569068711 /nfs/dbraw/zinc/06/87/11/569068711.db2.gz JHXRTSMFYHAVOY-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c(OC)c1 ZINC000006590823 569068712 /nfs/dbraw/zinc/06/87/12/569068712.db2.gz JHXRTSMFYHAVOY-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036104771 569092695 /nfs/dbraw/zinc/09/26/95/569092695.db2.gz GSVMYPGTTWPJRD-UGSOOPFHSA-N 1 2 416.547 3.897 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036104771 569092696 /nfs/dbraw/zinc/09/26/96/569092696.db2.gz GSVMYPGTTWPJRD-UGSOOPFHSA-N 1 2 416.547 3.897 50 0 HHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(Br)cc1)OCCO3 ZINC000064795076 569096422 /nfs/dbraw/zinc/09/64/22/569096422.db2.gz GBNGVBPHEVHTQV-UHFFFAOYSA-N 1 2 416.275 3.771 50 0 HHAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c(C)c1 ZINC000006729938 569102761 /nfs/dbraw/zinc/10/27/61/569102761.db2.gz BSSFGZMZAJAGOB-MRXNPFEDSA-N 1 2 415.559 3.940 50 0 HHAALO CC(C)C(=O)N1CC[NH+]([C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252364 569119732 /nfs/dbraw/zinc/11/97/32/569119732.db2.gz WUCQXTAMKZUSRY-DHIUTWEWSA-N 1 2 411.590 3.539 50 0 HHAALO CC[N@H+](CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O)c1cccc(C)c1 ZINC000006782327 569120548 /nfs/dbraw/zinc/12/05/48/569120548.db2.gz DVBQIROJQOVCRL-UHFFFAOYSA-N 1 2 416.525 3.595 50 0 HHAALO CC[N@@H+](CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O)c1cccc(C)c1 ZINC000006782327 569120549 /nfs/dbraw/zinc/12/05/49/569120549.db2.gz DVBQIROJQOVCRL-UHFFFAOYSA-N 1 2 416.525 3.595 50 0 HHAALO O=c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(Cl)c(O)cc2o1 ZINC000019371410 569124738 /nfs/dbraw/zinc/12/47/38/569124738.db2.gz ZFAXZGLTGUFGPC-QPJJXVBHSA-N 1 2 410.901 3.983 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c1 ZINC000006820180 569139329 /nfs/dbraw/zinc/13/93/29/569139329.db2.gz MDPPXNAUOVVRDF-LJQANCHMSA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3C)n2)c1 ZINC000006820180 569139330 /nfs/dbraw/zinc/13/93/30/569139330.db2.gz MDPPXNAUOVVRDF-LJQANCHMSA-N 1 2 420.517 3.860 50 0 HHAALO CC(C)(C)c1nnc(C2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)o1 ZINC000036393074 569167949 /nfs/dbraw/zinc/16/79/49/569167949.db2.gz XPUKFBGMILUMOR-UHFFFAOYSA-N 1 2 403.490 3.880 50 0 HHAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000065184104 569191168 /nfs/dbraw/zinc/19/11/68/569191168.db2.gz ROUNCHYMXSNRAE-UHFFFAOYSA-N 1 2 404.470 3.757 50 0 HHAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000065184153 569191297 /nfs/dbraw/zinc/19/12/97/569191297.db2.gz UWTYNPREWKNCGM-UHFFFAOYSA-N 1 2 422.460 3.896 50 0 HHAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050171 569211860 /nfs/dbraw/zinc/21/18/60/569211860.db2.gz VGUBHOQMNWBUOC-ZDUSSCGKSA-N 1 2 406.305 3.674 50 0 HHAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000065294985 569218669 /nfs/dbraw/zinc/21/86/69/569218669.db2.gz ISANSZOTRNVJDM-UHFFFAOYSA-N 1 2 414.469 3.858 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700427 569222826 /nfs/dbraw/zinc/22/28/26/569222826.db2.gz TXRCUMLICKJTJI-QHCPKHFHSA-N 1 2 416.587 3.942 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700427 569222827 /nfs/dbraw/zinc/22/28/27/569222827.db2.gz TXRCUMLICKJTJI-QHCPKHFHSA-N 1 2 416.587 3.942 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037213046 569240490 /nfs/dbraw/zinc/24/04/90/569240490.db2.gz MCICVZKYWURQIC-HXUWFJFHSA-N 1 2 411.552 3.755 50 0 HHAALO CNC(=O)c1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037213046 569240491 /nfs/dbraw/zinc/24/04/91/569240491.db2.gz MCICVZKYWURQIC-HXUWFJFHSA-N 1 2 411.552 3.755 50 0 HHAALO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2F)s1)c1cccc(S(N)(=O)=O)c1 ZINC000170616890 569247615 /nfs/dbraw/zinc/24/76/15/569247615.db2.gz PTQICLHGDRUWCO-SJCJKPOMSA-N 1 2 420.535 3.794 50 0 HHAALO CC1CC[NH+](Cc2csc(NC(=O)CNC(=O)c3ccc4ccccc4c3)n2)CC1 ZINC000014527424 569260354 /nfs/dbraw/zinc/26/03/54/569260354.db2.gz LGYHNYLOGPSPAV-UHFFFAOYSA-N 1 2 422.554 3.897 50 0 HHAALO COc1ccc2[nH+]c(C)nc(NCc3ccc(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2c1 ZINC000089729848 569263217 /nfs/dbraw/zinc/26/32/17/569263217.db2.gz UEUNAHRUMUEVCA-HZPDHXFCSA-N 1 2 420.513 3.808 50 0 HHAALO C[C@@H](c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016927215 569267574 /nfs/dbraw/zinc/26/75/74/569267574.db2.gz FPIHBXXKWBYNQJ-CABCVRRESA-N 1 2 421.998 3.894 50 0 HHAALO COc1cc(OC)cc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)c1 ZINC000017013219 569271783 /nfs/dbraw/zinc/27/17/83/569271783.db2.gz WQRUTHPPWJRWRB-UHFFFAOYSA-N 1 2 407.474 3.864 50 0 HHAALO Cn1nc(Br)c2c1nc[nH+]c2N[C@H](CO)c1c(Cl)cccc1Cl ZINC000252479408 569288942 /nfs/dbraw/zinc/28/89/42/569288942.db2.gz BEHQSWFYYCUMRT-SECBINFHSA-N 1 2 417.094 3.578 50 0 HHAALO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)CC1 ZINC000007812094 569312390 /nfs/dbraw/zinc/31/23/90/569312390.db2.gz FZFACAOVBBGZJF-NRFANRHFSA-N 1 2 423.513 3.541 50 0 HHAALO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@H+](C)Cc1ccccc1F ZINC000007910989 569321673 /nfs/dbraw/zinc/32/16/73/569321673.db2.gz DESDWZYYTJBPDX-UHFFFAOYSA-N 1 2 412.292 3.661 50 0 HHAALO CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000007910989 569321674 /nfs/dbraw/zinc/32/16/74/569321674.db2.gz DESDWZYYTJBPDX-UHFFFAOYSA-N 1 2 412.292 3.661 50 0 HHAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000002453423 569405592 /nfs/dbraw/zinc/40/55/92/569405592.db2.gz SUWPNTDVTWFGQD-UHFFFAOYSA-N 1 2 405.483 3.614 50 0 HHAALO Cc1cc2[nH+]cn(C[C@H](NC(=O)CCn3c(=O)oc4ccccc43)C3CC3)c2cc1C ZINC000079045625 569425141 /nfs/dbraw/zinc/42/51/41/569425141.db2.gz DYOXAYQENZGECS-IBGZPJMESA-N 1 2 418.497 3.546 50 0 HHAALO CC(C)c1[nH+]c2cc(NC(=O)[C@@H]3CCCN(c4ccc(Cl)nn4)C3)ccc2n1C ZINC000079501254 569432921 /nfs/dbraw/zinc/43/29/21/569432921.db2.gz FQMCVUJEADAHKO-CQSZACIVSA-N 1 2 412.925 3.995 50 0 HHAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000028724788 571037711 /nfs/dbraw/zinc/03/77/11/571037711.db2.gz MKSHBNBKSFQBPI-CQSZACIVSA-N 1 2 400.442 3.855 50 0 HHAALO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000028724788 571037714 /nfs/dbraw/zinc/03/77/14/571037714.db2.gz MKSHBNBKSFQBPI-CQSZACIVSA-N 1 2 400.442 3.855 50 0 HHAALO c1ccc(-c2nnn3c2nc(N2CCN(c4cccc[nH+]4)CC2)c2ccccc23)cc1 ZINC000067263359 571061806 /nfs/dbraw/zinc/06/18/06/571061806.db2.gz CPUQVRYTTRPDIT-UHFFFAOYSA-N 1 2 407.481 3.666 50 0 HHAALO O=C(c1cc(=O)c2ccccc2o1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000040013333 571138427 /nfs/dbraw/zinc/13/84/27/571138427.db2.gz MRUXBJPQPLIESZ-UHFFFAOYSA-N 1 2 404.491 3.966 50 0 HHAALO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000009128091 571226904 /nfs/dbraw/zinc/22/69/04/571226904.db2.gz GULJPENZROZCOL-UHFFFAOYSA-N 1 2 422.510 3.567 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009331402 571248814 /nfs/dbraw/zinc/24/88/14/571248814.db2.gz GCIIWUBBVMUQAL-NCYKPQTJSA-N 1 2 406.869 3.753 50 0 HHAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009331402 571248816 /nfs/dbraw/zinc/24/88/16/571248816.db2.gz GCIIWUBBVMUQAL-NCYKPQTJSA-N 1 2 406.869 3.753 50 0 HHAALO C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872903 571289145 /nfs/dbraw/zinc/28/91/45/571289145.db2.gz CKFZNCNNBYMQIU-PKOBYXMFSA-N 1 2 413.591 3.650 50 0 HHAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)Nc1ccc(Cl)cc1 ZINC000010166472 571295749 /nfs/dbraw/zinc/29/57/49/571295749.db2.gz RRJUCTDXZHIUKQ-UHFFFAOYSA-N 1 2 424.884 3.869 50 0 HHAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)Nc1ccc(Cl)cc1 ZINC000010166472 571295750 /nfs/dbraw/zinc/29/57/50/571295750.db2.gz RRJUCTDXZHIUKQ-UHFFFAOYSA-N 1 2 424.884 3.869 50 0 HHAALO C[C@H]1C(=O)Nc2ccc(C(=O)CSc3[nH+]cnc4c3cnn4-c3ccccc3)cc21 ZINC000010213582 571296744 /nfs/dbraw/zinc/29/67/44/571296744.db2.gz RCYRDFHCKHLBFO-CYBMUJFWSA-N 1 2 415.478 3.846 50 0 HHAALO O=C(CCc1cccc(Br)c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000071807123 571301795 /nfs/dbraw/zinc/30/17/95/571301795.db2.gz UXOBTNOKBLMHHS-FQEVSTJZSA-N 1 2 417.347 3.571 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000036387167 571317449 /nfs/dbraw/zinc/31/74/49/571317449.db2.gz BBVQLXJRQLXUIF-GOSISDBHSA-N 1 2 414.513 3.848 50 0 HHAALO Cc1nc(C)c(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)nc1C ZINC000011753659 962180666 /nfs/dbraw/zinc/18/06/66/962180666.db2.gz CFQUNHNXDRHOKA-JOCHJYFZSA-N 1 2 404.518 3.581 50 0 HHAALO Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)nc1C ZINC000011753659 962180673 /nfs/dbraw/zinc/18/06/73/962180673.db2.gz CFQUNHNXDRHOKA-JOCHJYFZSA-N 1 2 404.518 3.581 50 0 HHAALO CCOC(=O)c1nn(Cc2ccccn2)c2c1C[N@H+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000014543031 962526786 /nfs/dbraw/zinc/52/67/86/962526786.db2.gz FRAUQZBZUATNSD-QGZVFWFLSA-N 1 2 422.529 3.956 50 0 HHAALO CCOC(=O)c1nn(Cc2ccccn2)c2c1C[N@@H+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000014543031 962526808 /nfs/dbraw/zinc/52/68/08/962526808.db2.gz FRAUQZBZUATNSD-QGZVFWFLSA-N 1 2 422.529 3.956 50 0 HHAALO Cc1n[nH]c(C)c1CCN(C)C(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000015002395 962623368 /nfs/dbraw/zinc/62/33/68/962623368.db2.gz AAMQMMJXNMCGDY-JOCHJYFZSA-N 1 2 424.570 3.725 50 0 HHAALO Cc1n[nH]c(C)c1CCN(C)C(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000015002395 962623381 /nfs/dbraw/zinc/62/33/81/962623381.db2.gz AAMQMMJXNMCGDY-JOCHJYFZSA-N 1 2 424.570 3.725 50 0 HHAALO Cn1cc(C[N@@H+]2CCOc3ccc([C@H](O)c4c(F)cccc4Cl)cc3C2)cn1 ZINC000015067052 962644957 /nfs/dbraw/zinc/64/49/57/962644957.db2.gz FZTTUPGYRFZQLB-NRFANRHFSA-N 1 2 401.869 3.689 50 0 HHAALO Cn1cc(C[N@H+]2CCOc3ccc([C@H](O)c4c(F)cccc4Cl)cc3C2)cn1 ZINC000015067052 962644967 /nfs/dbraw/zinc/64/49/67/962644967.db2.gz FZTTUPGYRFZQLB-NRFANRHFSA-N 1 2 401.869 3.689 50 0 HHAALO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000058161308 965643330 /nfs/dbraw/zinc/64/33/30/965643330.db2.gz YHKIXCOMWCQXAS-CZDPRXMLSA-N 1 2 406.526 3.716 50 0 HHAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 ZINC000039516188 966496455 /nfs/dbraw/zinc/49/64/55/966496455.db2.gz GCEBDVNRVLWMHO-QFIPXVFZSA-N 1 2 421.928 3.500 50 0 HHAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NCc1ccc(Cl)cc1 ZINC000039516188 966496459 /nfs/dbraw/zinc/49/64/59/966496459.db2.gz GCEBDVNRVLWMHO-QFIPXVFZSA-N 1 2 421.928 3.500 50 0 HHAALO O=C(/C=C\c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000096924641 969056261 /nfs/dbraw/zinc/05/62/61/969056261.db2.gz PDDKWRFZZYRSMP-YWEYNIOJSA-N 1 2 418.415 3.792 50 0 HHAALO O=C(c1cc(Cl)ccc1F)N1C[C@@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257175340 970616268 /nfs/dbraw/zinc/61/62/68/970616268.db2.gz OPRVLQCMVMWTRG-HNNXBMFYSA-N 1 2 404.869 3.822 50 0 HHAALO Cc1c[nH+]c(CO[C@H]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)C2)n1C ZINC000257176773 970617694 /nfs/dbraw/zinc/61/76/94/970617694.db2.gz URLBUUUQCLPWSR-KRWDZBQOSA-N 1 2 413.909 3.593 50 0 HHAALO Cc1ccc(NC(=O)CCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000004742761 132287041 /nfs/dbraw/zinc/28/70/41/132287041.db2.gz MUSOPXDBXJIQLL-UHFFFAOYSA-N 1 2 400.910 3.501 50 0 HHAALO COc1ccc(CCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000006725052 132313782 /nfs/dbraw/zinc/31/37/82/132313782.db2.gz HOSJSZUGSPAZPC-UHFFFAOYSA-N 1 2 405.498 3.960 50 0 HHAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1N1CCCCC1 ZINC000008189213 132328332 /nfs/dbraw/zinc/32/83/32/132328332.db2.gz XKHSCAFQPSTFDO-UHFFFAOYSA-N 1 2 420.557 3.640 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccccc1N1CCCCC1 ZINC000008189213 132328334 /nfs/dbraw/zinc/32/83/34/132328334.db2.gz XKHSCAFQPSTFDO-UHFFFAOYSA-N 1 2 420.557 3.640 50 0 HHAALO COc1cc(C(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc(OC)c1OC ZINC000009305523 132338354 /nfs/dbraw/zinc/33/83/54/132338354.db2.gz DAPGXOVAZNDADM-UHFFFAOYSA-N 1 2 421.497 3.531 50 0 HHAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009471087 132340327 /nfs/dbraw/zinc/34/03/27/132340327.db2.gz CPAWYGCAJMCAID-UHFFFAOYSA-N 1 2 413.518 3.831 50 0 HHAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009471087 132340329 /nfs/dbraw/zinc/34/03/29/132340329.db2.gz CPAWYGCAJMCAID-UHFFFAOYSA-N 1 2 413.518 3.831 50 0 HHAALO O=C(CC[C@H]1CCCN(C(=O)CC2=CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012204544 132356749 /nfs/dbraw/zinc/35/67/49/132356749.db2.gz YBNTUXOIOGSLCP-JOCHJYFZSA-N 1 2 424.589 3.640 50 0 HHAALO COc1ccccc1N1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000012516687 132361481 /nfs/dbraw/zinc/36/14/81/132361481.db2.gz HOIJUQKXCRJPTR-UHFFFAOYSA-N 1 2 419.525 3.639 50 0 HHAALO COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012549963 132363046 /nfs/dbraw/zinc/36/30/46/132363046.db2.gz FHWQWRAMCQZFFR-MRXNPFEDSA-N 1 2 421.463 3.713 50 0 HHAALO Cc1cc(N2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012869841 132368085 /nfs/dbraw/zinc/36/80/85/132368085.db2.gz RHOKHZFPWAEVDH-UHFFFAOYSA-N 1 2 423.344 3.943 50 0 HHAALO CC(C)Cn1c(C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cnc1S(C)(=O)=O ZINC000020600814 519484619 /nfs/dbraw/zinc/48/46/19/519484619.db2.gz HSVGOHYJKLEKEK-JOCHJYFZSA-N 1 2 403.592 3.742 50 0 HHAALO CC(C)Cn1c(C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cnc1S(C)(=O)=O ZINC000020600814 519484627 /nfs/dbraw/zinc/48/46/27/519484627.db2.gz HSVGOHYJKLEKEK-JOCHJYFZSA-N 1 2 403.592 3.742 50 0 HHAALO CCOc1ccc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000041092013 521295983 /nfs/dbraw/zinc/29/59/83/521295983.db2.gz YBLGJOPJBDZCEN-UHFFFAOYSA-N 1 2 410.539 3.745 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732522 524025540 /nfs/dbraw/zinc/02/55/40/524025540.db2.gz NHLQGJFFVXWCMB-ZHRMCQFGSA-N 1 2 401.441 3.596 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732522 524025542 /nfs/dbraw/zinc/02/55/42/524025542.db2.gz NHLQGJFFVXWCMB-ZHRMCQFGSA-N 1 2 401.441 3.596 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)c1csc(Br)c1)c1[nH+]ccn1C ZINC000032786883 524738508 /nfs/dbraw/zinc/73/85/08/524738508.db2.gz QBBOJODNIJZSSS-OAHLLOKOSA-N 1 2 406.305 3.772 50 0 HHAALO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)no1 ZINC000020600411 525475546 /nfs/dbraw/zinc/47/55/46/525475546.db2.gz GXDRTEMKMJDMJL-HNNXBMFYSA-N 1 2 417.469 3.759 50 0 HHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)c(C)c1 ZINC000033312764 525888958 /nfs/dbraw/zinc/88/89/58/525888958.db2.gz GLRVVZPGYJKNEX-NBGIEHNGSA-N 1 2 419.569 3.702 50 0 HHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)N2CCCC2)c(C)c1 ZINC000033312764 525888968 /nfs/dbraw/zinc/88/89/68/525888968.db2.gz GLRVVZPGYJKNEX-NBGIEHNGSA-N 1 2 419.569 3.702 50 0 HHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCN(c2ccccn2)CC1 ZINC000032797155 526139140 /nfs/dbraw/zinc/13/91/40/526139140.db2.gz KYKABVOUOLSTDF-CYBMUJFWSA-N 1 2 412.843 3.903 50 0 HHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000032882556 526749868 /nfs/dbraw/zinc/74/98/68/526749868.db2.gz MKSOOKFEULQQRK-UHFFFAOYSA-N 1 2 415.472 3.675 50 0 HHAALO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000000971064 526843654 /nfs/dbraw/zinc/84/36/54/526843654.db2.gz CCWYDHUCRJAQPD-UHFFFAOYSA-N 1 2 400.841 3.800 50 0 HHAALO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023968276 526863973 /nfs/dbraw/zinc/86/39/73/526863973.db2.gz KRMUTBJUBCILRH-UHFFFAOYSA-N 1 2 423.520 3.892 50 0 HHAALO Cc1sc2ncn(CCC(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(=O)c2c1C ZINC000032895727 526897929 /nfs/dbraw/zinc/89/79/29/526897929.db2.gz HLTUEFOWMXEURP-HNNXBMFYSA-N 1 2 421.526 3.528 50 0 HHAALO Cc1nc2cc(C(=O)NCc3cccnc3-n3cc[nH+]c3)ccc2n1-c1ccccc1 ZINC000032778078 527119228 /nfs/dbraw/zinc/11/92/28/527119228.db2.gz KBQHOZGOYVXHAA-UHFFFAOYSA-N 1 2 408.465 3.845 50 0 HHAALO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1ccc(Cl)cc1Cl ZINC000000986301 557132536 /nfs/dbraw/zinc/13/25/36/557132536.db2.gz IBBHILCJOWNFSK-GFCCVEGCSA-N 1 2 407.282 3.852 50 0 HHAALO CC(C)Cn1c(Cn2cc[nH+]c2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000006665609 557712974 /nfs/dbraw/zinc/71/29/74/557712974.db2.gz OSTLHQRYDCXDIH-UHFFFAOYSA-N 1 2 409.515 3.738 50 0 HHAALO CC[C@@H]1C[N@H+](Cc2ccc(Sc3nncn3C)o2)Cc2cc(OC)ccc2O1 ZINC000011782230 558274910 /nfs/dbraw/zinc/27/49/10/558274910.db2.gz HLILKBHMLPPMMR-OAHLLOKOSA-N 1 2 400.504 3.741 50 0 HHAALO CC[C@@H]1C[N@@H+](Cc2ccc(Sc3nncn3C)o2)Cc2cc(OC)ccc2O1 ZINC000011782230 558274912 /nfs/dbraw/zinc/27/49/12/558274912.db2.gz HLILKBHMLPPMMR-OAHLLOKOSA-N 1 2 400.504 3.741 50 0 HHAALO CC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)cs1 ZINC000019761012 558276343 /nfs/dbraw/zinc/27/63/43/558276343.db2.gz ZYKLLJCRICFUPB-LJQANCHMSA-N 1 2 401.551 3.876 50 0 HHAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000019781611 558281144 /nfs/dbraw/zinc/28/11/44/558281144.db2.gz GKIRACDGUSJAQC-UHFFFAOYSA-N 1 2 405.336 3.784 50 0 HHAALO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1Cl ZINC000019782493 558281634 /nfs/dbraw/zinc/28/16/34/558281634.db2.gz FTDKFVGTQUXECW-LJQANCHMSA-N 1 2 418.324 3.756 50 0 HHAALO c1ccc(CCn2c3ccccc3c3nnc(SCC[NH+]4CCOCC4)nc32)cc1 ZINC000019799396 558285101 /nfs/dbraw/zinc/28/51/01/558285101.db2.gz NNFXERWHBDRASM-UHFFFAOYSA-N 1 2 419.554 3.647 50 0 HHAALO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019859238 558296980 /nfs/dbraw/zinc/29/69/80/558296980.db2.gz IFIDLEJUJLVASJ-UHFFFAOYSA-N 1 2 419.934 3.592 50 0 HHAALO Cc1c[nH]c(C[NH+]2CCC(Oc3ccc(Cl)cc3C(=O)NC(C)(C)C)CC2)n1 ZINC000011936658 558300398 /nfs/dbraw/zinc/30/03/98/558300398.db2.gz BNVOUEZSHBCQCO-UHFFFAOYSA-N 1 2 404.942 3.943 50 0 HHAALO Cc1cccn2cc(CN3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CCC3=O)[nH+]c12 ZINC000012099914 558325927 /nfs/dbraw/zinc/32/59/27/558325927.db2.gz KGNDZPZEBPKFTH-UHFFFAOYSA-N 1 2 418.541 3.815 50 0 HHAALO COC(=O)c1ccc(N2CC[NH+](Cc3nc(-c4ccc(OC)cc4)oc3C)CC2)cc1 ZINC000020209319 558347061 /nfs/dbraw/zinc/34/70/61/558347061.db2.gz DXIRZKSKESPCOE-UHFFFAOYSA-N 1 2 421.497 3.767 50 0 HHAALO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020211909 558347914 /nfs/dbraw/zinc/34/79/14/558347914.db2.gz VOQMCADNYYLODA-HXUWFJFHSA-N 1 2 413.587 3.746 50 0 HHAALO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)CC1 ZINC000020211909 558347917 /nfs/dbraw/zinc/34/79/17/558347917.db2.gz VOQMCADNYYLODA-HXUWFJFHSA-N 1 2 413.587 3.746 50 0 HHAALO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000020325700 558355582 /nfs/dbraw/zinc/35/55/82/558355582.db2.gz DFSFVUXGEZLUJK-HXUWFJFHSA-N 1 2 416.949 3.803 50 0 HHAALO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421516 558361933 /nfs/dbraw/zinc/36/19/33/558361933.db2.gz YGNJSKJVZZPYPP-XMMPIXPASA-N 1 2 420.528 3.973 50 0 HHAALO COc1ccc(OCc2cc(C(=O)N(C)Cc3[nH]cc(C)[nH+]3)no2)c2ccccc12 ZINC000012305061 558374152 /nfs/dbraw/zinc/37/41/52/558374152.db2.gz PTYOMXRBYMCTHZ-UHFFFAOYSA-N 1 2 406.442 3.719 50 0 HHAALO Cc1ccc(OCc2cc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)no2)cc1C ZINC000012308649 558377032 /nfs/dbraw/zinc/37/70/32/558377032.db2.gz FDQRVHBGRDISGG-UHFFFAOYSA-N 1 2 420.513 3.614 50 0 HHAALO Cc1ccc(OCc2cc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)no2)cc1C ZINC000012308649 558377035 /nfs/dbraw/zinc/37/70/35/558377035.db2.gz FDQRVHBGRDISGG-UHFFFAOYSA-N 1 2 420.513 3.614 50 0 HHAALO CC(C)c1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000012401764 558397525 /nfs/dbraw/zinc/39/75/25/558397525.db2.gz VGBZUZDSLQOPRA-UHFFFAOYSA-N 1 2 424.526 3.923 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2nnc3n2CCC3)c(F)c1 ZINC000012437758 558409532 /nfs/dbraw/zinc/40/95/32/558409532.db2.gz IUAMJKRCSYFJRI-UHFFFAOYSA-N 1 2 418.476 3.515 50 0 HHAALO Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000021135668 558431909 /nfs/dbraw/zinc/43/19/09/558431909.db2.gz JUFQSBPLVGIMQW-UHFFFAOYSA-N 1 2 410.474 3.790 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1C(=O)c1ccccc1 ZINC000022101255 558463621 /nfs/dbraw/zinc/46/36/21/558463621.db2.gz FFFKKGLAVDLUMV-UHFFFAOYSA-N 1 2 414.505 3.680 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N(CC)c1ccccc1 ZINC000012982048 558493766 /nfs/dbraw/zinc/49/37/66/558493766.db2.gz RRXCLMAEJMZIJZ-UHFFFAOYSA-N 1 2 407.436 3.808 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N(CC)c1ccccc1 ZINC000012982048 558493768 /nfs/dbraw/zinc/49/37/68/558493768.db2.gz RRXCLMAEJMZIJZ-UHFFFAOYSA-N 1 2 407.436 3.808 50 0 HHAALO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000023257751 558546571 /nfs/dbraw/zinc/54/65/71/558546571.db2.gz LUIOOCICDSXPNH-NRFANRHFSA-N 1 2 417.475 3.843 50 0 HHAALO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000023908325 558581125 /nfs/dbraw/zinc/58/11/25/558581125.db2.gz 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ZINC000011666007 559147819 /nfs/dbraw/zinc/14/78/19/559147819.db2.gz INZCTZPQHZPEBL-UHFFFAOYSA-N 1 2 414.513 3.790 50 0 HHAALO Clc1ccc(OCC[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000084414959 559149571 /nfs/dbraw/zinc/14/95/71/559149571.db2.gz CADGIUSZUMFHQO-UHFFFAOYSA-N 1 2 404.923 3.648 50 0 HHAALO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014245832 559161886 /nfs/dbraw/zinc/16/18/86/559161886.db2.gz OBMHOTWZMJIZDZ-UHFFFAOYSA-N 1 2 402.542 3.815 50 0 HHAALO O=C(CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)NCCc1ccccc1 ZINC000005143178 559252083 /nfs/dbraw/zinc/25/20/83/559252083.db2.gz JOKRZZQCYHCRJS-UHFFFAOYSA-N 1 2 415.522 3.780 50 0 HHAALO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@H](CO)c1cccc(F)c1 ZINC000247919447 559255290 /nfs/dbraw/zinc/25/52/90/559255290.db2.gz BZZAOVYCCRKIDM-KNQAVFIVSA-N 1 2 416.493 3.897 50 0 HHAALO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@H](CO)c1cccc(F)c1 ZINC000247919447 559255292 /nfs/dbraw/zinc/25/52/92/559255292.db2.gz BZZAOVYCCRKIDM-KNQAVFIVSA-N 1 2 416.493 3.897 50 0 HHAALO Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000005330581 560566602 /nfs/dbraw/zinc/56/66/02/560566602.db2.gz CVWNHAYNBWDHSH-UHFFFAOYSA-N 1 2 412.493 3.513 50 0 HHAALO NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCC[NH+]1CCOCC1 ZINC000102718522 560823363 /nfs/dbraw/zinc/82/33/63/560823363.db2.gz PLYVPQZHELSEMM-UHFFFAOYSA-N 1 2 418.950 3.748 50 0 HHAALO NC(=O)c1ccc(CSc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)cc1 ZINC000012136331 560889456 /nfs/dbraw/zinc/88/94/56/560889456.db2.gz WILAFQHFTGNYMF-UHFFFAOYSA-N 1 2 421.570 3.704 50 0 HHAALO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000106578151 560892653 /nfs/dbraw/zinc/89/26/53/560892653.db2.gz XSYLHXPOLNNCHO-ZIAGYGMSSA-N 1 2 400.350 3.949 50 0 HHAALO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000106578151 560892655 /nfs/dbraw/zinc/89/26/55/560892655.db2.gz XSYLHXPOLNNCHO-ZIAGYGMSSA-N 1 2 400.350 3.949 50 0 HHAALO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000048235012 568432702 /nfs/dbraw/zinc/43/27/02/568432702.db2.gz MAWAQKCXUPUVBX-IBGZPJMESA-N 1 2 416.566 3.725 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)C1CCCCC1 ZINC000049745400 568453443 /nfs/dbraw/zinc/45/34/43/568453443.db2.gz NCYJTPXNVDBYAI-QHCPKHFHSA-N 1 2 410.537 3.781 50 0 HHAALO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000049976907 568453689 /nfs/dbraw/zinc/45/36/89/568453689.db2.gz ITPOFFPZFXINDZ-UHFFFAOYSA-N 1 2 400.482 3.841 50 0 HHAALO O=C(CCc1ccccc1Br)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390826660 568490579 /nfs/dbraw/zinc/49/05/79/568490579.db2.gz BBOWDMIRGIUECR-UHFFFAOYSA-N 1 2 405.361 3.712 50 0 HHAALO O=C(CCc1ccccc1Br)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390826660 568490581 /nfs/dbraw/zinc/49/05/81/568490581.db2.gz BBOWDMIRGIUECR-UHFFFAOYSA-N 1 2 405.361 3.712 50 0 HHAALO Cc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccccn1 ZINC000020107642 568588108 /nfs/dbraw/zinc/58/81/08/568588108.db2.gz UGQUWWFDEBSHIK-UHFFFAOYSA-N 1 2 418.994 3.965 50 0 HHAALO CCN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(OC)cc2)CC1 ZINC000020107821 568588167 /nfs/dbraw/zinc/58/81/67/568588167.db2.gz NGNOOYMDMIRRBM-UHFFFAOYSA-N 1 2 416.591 3.515 50 0 HHAALO Cc1ccc(Sc2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020105652 568588246 /nfs/dbraw/zinc/58/82/46/568588246.db2.gz SMEKNYSPEQQPSI-UHFFFAOYSA-N 1 2 407.539 3.756 50 0 HHAALO O=S(=O)(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020532629 568628271 /nfs/dbraw/zinc/62/82/71/568628271.db2.gz SXOHMRNIWXNNDF-UHFFFAOYSA-N 1 2 409.555 3.553 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc([NH+](CC)CC)cc1C ZINC000020940550 568652669 /nfs/dbraw/zinc/65/26/69/568652669.db2.gz VPGNYTQPAIBJQX-UHFFFAOYSA-N 1 2 407.536 3.764 50 0 HHAALO CN(Cc1ccc(F)cc1Cl)C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000225644720 568659735 /nfs/dbraw/zinc/65/97/35/568659735.db2.gz LJJXAZKOXUSIHK-UHFFFAOYSA-N 1 2 405.901 3.870 50 0 HHAALO O=S(=O)(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccccc1C(F)(F)F ZINC000095952901 568668013 /nfs/dbraw/zinc/66/80/13/568668013.db2.gz OTIDQWSPGLPDEP-UHFFFAOYSA-N 1 2 413.465 3.959 50 0 HHAALO O=C(NCc1ccccc1Br)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000021162219 568674371 /nfs/dbraw/zinc/67/43/71/568674371.db2.gz UFHYTAVCZYOUNW-UHFFFAOYSA-N 1 2 413.319 3.858 50 0 HHAALO Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc1)[C@@H](C)C2 ZINC000096003371 568681811 /nfs/dbraw/zinc/68/18/11/568681811.db2.gz GDRMGUPOCQNIFM-AOMKIAJQSA-N 1 2 421.522 3.854 50 0 HHAALO CCc1nc(C[NH+]2CCN(c3ccnc4cc(Br)cnc43)CC2)cs1 ZINC000096011545 568684315 /nfs/dbraw/zinc/68/43/15/568684315.db2.gz BHVKFMHZCZVKGX-UHFFFAOYSA-N 1 2 418.364 3.733 50 0 HHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(Br)ccc3O)CC2)cc1 ZINC000021475989 568703299 /nfs/dbraw/zinc/70/32/99/568703299.db2.gz UGVWOOMFHWSPSZ-UHFFFAOYSA-N 1 2 419.319 3.511 50 0 HHAALO COc1cc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000096291383 568720869 /nfs/dbraw/zinc/72/08/69/568720869.db2.gz XPXMXJBIUXYRSS-WDZFZDKYSA-N 1 2 402.454 3.660 50 0 HHAALO CCNC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096316788 568725763 /nfs/dbraw/zinc/72/57/63/568725763.db2.gz KIWNQGRYORKBLF-UHFFFAOYSA-N 1 2 413.541 3.565 50 0 HHAALO CCNC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317286 568726598 /nfs/dbraw/zinc/72/65/98/568726598.db2.gz WODNMVABLHRYES-UHFFFAOYSA-N 1 2 409.578 3.734 50 0 HHAALO O=C(N[C@H](NCC[NH+]1CCCCC1)C(Cl)(Cl)Cl)[C@H]1C[C@@H]1c1ccccc1 ZINC000096346155 568737626 /nfs/dbraw/zinc/73/76/26/568737626.db2.gz NGJOOEHAMYQXBM-RYRKJORJSA-N 1 2 418.796 3.678 50 0 HHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000585149214 568742850 /nfs/dbraw/zinc/74/28/50/568742850.db2.gz HNFRYIFRIQZGPO-HNNXBMFYSA-N 1 2 409.433 3.999 50 0 HHAALO O=C(N[C@H]1CCc2ccccc21)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724350 568750992 /nfs/dbraw/zinc/75/09/92/568750992.db2.gz GCKMNLPHDUKDRR-NRFANRHFSA-N 1 2 420.488 3.891 50 0 HHAALO Cc1ccn2cc(CNC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)[nH+]c2c1 ZINC000056627621 568764949 /nfs/dbraw/zinc/76/49/49/568764949.db2.gz YOTXEPKVAQPUAO-HOTGVXAUSA-N 1 2 411.481 3.717 50 0 HHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000057464147 568838300 /nfs/dbraw/zinc/83/83/00/568838300.db2.gz NHLQGJFFVXWCMB-MEKIYTOJSA-N 1 2 401.441 3.596 50 0 HHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000057464147 568838301 /nfs/dbraw/zinc/83/83/01/568838301.db2.gz NHLQGJFFVXWCMB-MEKIYTOJSA-N 1 2 401.441 3.596 50 0 HHAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012547657 568850979 /nfs/dbraw/zinc/85/09/79/568850979.db2.gz XGBHHVNRQCKOJE-KRWDZBQOSA-N 1 2 416.934 3.595 50 0 HHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000012547656 568851128 /nfs/dbraw/zinc/85/11/28/568851128.db2.gz XGBHHVNRQCKOJE-QGZVFWFLSA-N 1 2 416.934 3.595 50 0 HHAALO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000057561383 568853847 /nfs/dbraw/zinc/85/38/47/568853847.db2.gz ZLSQEDCXIJCSDG-KRWDZBQOSA-N 1 2 401.938 3.738 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000012560015 568857373 /nfs/dbraw/zinc/85/73/73/568857373.db2.gz AXDCHTKTJBCYIE-UHFFFAOYSA-N 1 2 405.285 3.660 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCc1ccccc1Cl ZINC000003537486 568861910 /nfs/dbraw/zinc/86/19/10/568861910.db2.gz GPLDOLFVFKDLCU-UHFFFAOYSA-N 1 2 409.902 3.877 50 0 HHAALO Cc1ccc(OCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c(Br)c1 ZINC000012574388 568862328 /nfs/dbraw/zinc/86/23/28/568862328.db2.gz XEUMIOGDOKOIHA-IBGZPJMESA-N 1 2 414.303 3.776 50 0 HHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012579619 568863486 /nfs/dbraw/zinc/86/34/86/568863486.db2.gz XXOVVEJURPEOJA-LJQANCHMSA-N 1 2 416.525 3.792 50 0 HHAALO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SC[C@@H]2COc3ccccc3O2)cc1 ZINC000012609225 568871454 /nfs/dbraw/zinc/87/14/54/568871454.db2.gz PFQARRUKNHZLDH-SFHVURJKSA-N 1 2 408.527 3.795 50 0 HHAALO C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000299774290 568874623 /nfs/dbraw/zinc/87/46/23/568874623.db2.gz BOUJPUUIMYBWQU-KRWDZBQOSA-N 1 2 422.529 3.711 50 0 HHAALO C[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000299774290 568874624 /nfs/dbraw/zinc/87/46/24/568874624.db2.gz BOUJPUUIMYBWQU-KRWDZBQOSA-N 1 2 422.529 3.711 50 0 HHAALO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000003389470 568894029 /nfs/dbraw/zinc/89/40/29/568894029.db2.gz YVBJWPJWLONKOM-UHFFFAOYSA-N 1 2 416.399 3.770 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000003389470 568894031 /nfs/dbraw/zinc/89/40/31/568894031.db2.gz YVBJWPJWLONKOM-UHFFFAOYSA-N 1 2 416.399 3.770 50 0 HHAALO C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000012729131 568921187 /nfs/dbraw/zinc/92/11/87/568921187.db2.gz 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Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000021529599 132472525 /nfs/dbraw/zinc/47/25/25/132472525.db2.gz PDCSAEXSXUUMRQ-UHFFFAOYSA-N 1 2 419.920 3.807 50 0 HHAALO COc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2Cc2ccco2)cc1F ZINC000032857794 524008522 /nfs/dbraw/zinc/00/85/22/524008522.db2.gz YWTSYLDJNIKUBR-UHFFFAOYSA-N 1 2 407.445 3.818 50 0 HHAALO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2Cc2ccco2)cc1F ZINC000032857794 524008524 /nfs/dbraw/zinc/00/85/24/524008524.db2.gz YWTSYLDJNIKUBR-UHFFFAOYSA-N 1 2 407.445 3.818 50 0 HHAALO COc1cccc([C@H](NC(=O)NCc2coc(-c3cccs3)n2)c2[nH+]ccn2C)c1 ZINC000032802462 524163119 /nfs/dbraw/zinc/16/31/19/524163119.db2.gz SYPLACAPFYWFOY-SFHVURJKSA-N 1 2 423.498 3.734 50 0 HHAALO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000040104812 524171178 /nfs/dbraw/zinc/17/11/78/524171178.db2.gz DEAGXBQFAXGAII-UHFFFAOYSA-N 1 2 412.559 3.642 50 0 HHAALO COc1ccccc1[C@H](NC(=O)c1csc(Br)c1)c1[nH+]ccn1C ZINC000032786886 524797900 /nfs/dbraw/zinc/79/79/00/524797900.db2.gz QBBOJODNIJZSSS-HNNXBMFYSA-N 1 2 406.305 3.772 50 0 HHAALO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000032665063 524953095 /nfs/dbraw/zinc/95/30/95/524953095.db2.gz BZEQNRUOVNCWEH-INIZCTEOSA-N 1 2 406.357 3.988 50 0 HHAALO C[C@H](NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000032665063 524953103 /nfs/dbraw/zinc/95/31/03/524953103.db2.gz BZEQNRUOVNCWEH-INIZCTEOSA-N 1 2 406.357 3.988 50 0 HHAALO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000032665062 525107304 /nfs/dbraw/zinc/10/73/04/525107304.db2.gz BZEQNRUOVNCWEH-MRXNPFEDSA-N 1 2 406.357 3.988 50 0 HHAALO C[C@@H](NC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000032665062 525107311 /nfs/dbraw/zinc/10/73/11/525107311.db2.gz BZEQNRUOVNCWEH-MRXNPFEDSA-N 1 2 406.357 3.988 50 0 HHAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023805928 525319179 /nfs/dbraw/zinc/31/91/79/525319179.db2.gz XHZGVNWHIILEOF-XMMPIXPASA-N 1 2 407.489 3.704 50 0 HHAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023805928 525319180 /nfs/dbraw/zinc/31/91/80/525319180.db2.gz XHZGVNWHIILEOF-XMMPIXPASA-N 1 2 407.489 3.704 50 0 HHAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000032912004 526503281 /nfs/dbraw/zinc/50/32/81/526503281.db2.gz JVUYJUNJYOZHHP-UHFFFAOYSA-N 1 2 423.488 3.968 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000045125228 526771387 /nfs/dbraw/zinc/77/13/87/526771387.db2.gz LDCIRUATUIKMJY-LJQANCHMSA-N 1 2 400.910 3.522 50 0 HHAALO O=C(c1csc(NCc2ccccc2Cl)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040288009 526906022 /nfs/dbraw/zinc/90/60/22/526906022.db2.gz VGUZUJKKCITAPW-UHFFFAOYSA-N 1 2 413.934 3.766 50 0 HHAALO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030220056 527360103 /nfs/dbraw/zinc/36/01/03/527360103.db2.gz VPQVDYGUYMXDBE-UHFFFAOYSA-N 1 2 413.403 3.616 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000032895000 527451122 /nfs/dbraw/zinc/45/11/22/527451122.db2.gz YELNVBWHIHKEPV-UWJYYQICSA-N 1 2 422.916 3.870 50 0 HHAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000032501886 527515496 /nfs/dbraw/zinc/51/54/96/527515496.db2.gz FMUXBYBHRXRFAI-UHFFFAOYSA-N 1 2 418.419 3.640 50 0 HHAALO Cc1ccc(C[N@@H+]2CCO[C@H](CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000034687025 557370864 /nfs/dbraw/zinc/37/08/64/557370864.db2.gz AUFJTEZWYQZJTM-QFIPXVFZSA-N 1 2 424.541 3.723 50 0 HHAALO Cc1ccc(C[N@H+]2CCO[C@H](CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000034687025 557370869 /nfs/dbraw/zinc/37/08/69/557370869.db2.gz AUFJTEZWYQZJTM-QFIPXVFZSA-N 1 2 424.541 3.723 50 0 HHAALO CCc1cccc2c([C@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(F)cc3)c[nH]c21 ZINC000035371281 557524626 /nfs/dbraw/zinc/52/46/26/557524626.db2.gz VTBUGGOMURURTK-JOCHJYFZSA-N 1 2 423.532 3.840 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000009060444 557821222 /nfs/dbraw/zinc/82/12/22/557821222.db2.gz WXRPAOCTKMQIHF-DOTOQJQBSA-N 1 2 418.423 3.560 50 0 HHAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907340 557851690 /nfs/dbraw/zinc/85/16/90/557851690.db2.gz GLXJHUWGLJYZDZ-QFIPXVFZSA-N 1 2 421.541 3.502 50 0 HHAALO O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907340 557851692 /nfs/dbraw/zinc/85/16/92/557851692.db2.gz GLXJHUWGLJYZDZ-QFIPXVFZSA-N 1 2 421.541 3.502 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000022907027 557852551 /nfs/dbraw/zinc/85/25/51/557852551.db2.gz XCZFGQMUHYJGDU-OAQYLSRUSA-N 1 2 406.482 3.826 50 0 HHAALO COc1ccc(C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000022907027 557852555 /nfs/dbraw/zinc/85/25/55/557852555.db2.gz XCZFGQMUHYJGDU-OAQYLSRUSA-N 1 2 406.482 3.826 50 0 HHAALO Cc1ccc2[nH]c(SCC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)nc2c1 ZINC000011664597 558268066 /nfs/dbraw/zinc/26/80/66/558268066.db2.gz YNMRAJXILJVQSV-QGZVFWFLSA-N 1 2 412.534 3.883 50 0 HHAALO Cc1ccc2[nH]c(SCC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)nc2c1 ZINC000011664597 558268070 /nfs/dbraw/zinc/26/80/70/558268070.db2.gz YNMRAJXILJVQSV-QGZVFWFLSA-N 1 2 412.534 3.883 50 0 HHAALO Cc1ccc2nc(SCC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000011664597 558268072 /nfs/dbraw/zinc/26/80/72/558268072.db2.gz YNMRAJXILJVQSV-QGZVFWFLSA-N 1 2 412.534 3.883 50 0 HHAALO Cc1ccc2nc(SCC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000011664597 558268074 /nfs/dbraw/zinc/26/80/74/558268074.db2.gz YNMRAJXILJVQSV-QGZVFWFLSA-N 1 2 412.534 3.883 50 0 HHAALO CCOc1cc(C[N@@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)ccc1OC ZINC000011782523 558274917 /nfs/dbraw/zinc/27/49/17/558274917.db2.gz HRNJOSHRILPRRL-VWLOTQADSA-N 1 2 420.509 3.965 50 0 HHAALO CCOc1cc(C[N@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)ccc1OC ZINC000011782523 558274921 /nfs/dbraw/zinc/27/49/21/558274921.db2.gz HRNJOSHRILPRRL-VWLOTQADSA-N 1 2 420.509 3.965 50 0 HHAALO O=C1N(C[N@@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@H]1CCCCC[C@@H]1O2 ZINC000019874401 558300066 /nfs/dbraw/zinc/30/00/66/558300066.db2.gz BVZPIBXMSLWZEV-GOTSBHOMSA-N 1 2 404.510 3.950 50 0 HHAALO O=C1N(C[N@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@H]1CCCCC[C@@H]1O2 ZINC000019874401 558300068 /nfs/dbraw/zinc/30/00/68/558300068.db2.gz BVZPIBXMSLWZEV-GOTSBHOMSA-N 1 2 404.510 3.950 50 0 HHAALO Cc1ccc(-n2cc(C[NH2+]Cc3nnc4n3CCC4)c(-c3ccc(F)cc3)n2)cc1 ZINC000011950313 558302743 /nfs/dbraw/zinc/30/27/43/558302743.db2.gz OJUMHKNUODZWAS-UHFFFAOYSA-N 1 2 402.477 3.814 50 0 HHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccn(COc4ccc(C)cc4C)n3)CC2)cc1 ZINC000020028719 558323089 /nfs/dbraw/zinc/32/30/89/558323089.db2.gz VXFPAVMTBQTWTF-UHFFFAOYSA-N 1 2 418.541 3.803 50 0 HHAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000020102252 558332356 /nfs/dbraw/zinc/33/23/56/558332356.db2.gz HIAVMHRHRWHXQM-SFHVURJKSA-N 1 2 417.488 3.558 50 0 HHAALO O[C@H](COc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020294435 558354207 /nfs/dbraw/zinc/35/42/07/558354207.db2.gz MIEQTGGXHMZWBB-DEOSSOPVSA-N 1 2 402.538 3.834 50 0 HHAALO COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020442413 558363775 /nfs/dbraw/zinc/36/37/75/558363775.db2.gz GBQQWKRVWPMJKI-UHFFFAOYSA-N 1 2 401.557 3.944 50 0 HHAALO COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020442413 558363778 /nfs/dbraw/zinc/36/37/78/558363778.db2.gz GBQQWKRVWPMJKI-UHFFFAOYSA-N 1 2 401.557 3.944 50 0 HHAALO Fc1ccccc1N1CCN(c2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000020662186 558398158 /nfs/dbraw/zinc/39/81/58/558398158.db2.gz KEDHVMAEQICMAA-UHFFFAOYSA-N 1 2 408.868 3.935 50 0 HHAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1cc(COc2ccc3ncccc3c2)on1 ZINC000012434287 558408051 /nfs/dbraw/zinc/40/80/51/558408051.db2.gz SQJQVZXFLXZAKO-UHFFFAOYSA-N 1 2 405.458 3.586 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C[C@H]1c1ccccc1 ZINC000020993345 558426239 /nfs/dbraw/zinc/42/62/39/558426239.db2.gz MDQVBAFVRVKUED-FQEVSTJZSA-N 1 2 413.424 3.661 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C[C@H]1c1ccccc1 ZINC000020993345 558426242 /nfs/dbraw/zinc/42/62/42/558426242.db2.gz MDQVBAFVRVKUED-FQEVSTJZSA-N 1 2 413.424 3.661 50 0 HHAALO Cc1nn2c(nc(C(C)(C)C)cc2NCC[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000021799272 558449931 /nfs/dbraw/zinc/44/99/31/558449931.db2.gz PDYOWETVPQLIEW-UHFFFAOYSA-N 1 2 411.525 3.885 50 0 HHAALO COc1ccc(-n2ccn(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)c2=S)cc1 ZINC000022004175 558457394 /nfs/dbraw/zinc/45/73/94/558457394.db2.gz ALQUEBYSHGJGCJ-UHFFFAOYSA-N 1 2 422.554 3.869 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000022012499 558457767 /nfs/dbraw/zinc/45/77/67/558457767.db2.gz NHIZFGFRADXCEL-UHFFFAOYSA-N 1 2 412.843 3.510 50 0 HHAALO O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290542 558476468 /nfs/dbraw/zinc/47/64/68/558476468.db2.gz RFXXUTJPIUPPHH-MRXNPFEDSA-N 1 2 402.545 3.571 50 0 HHAALO CCOc1cccc2cc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(=O)oc21 ZINC000004370810 558479836 /nfs/dbraw/zinc/47/98/36/558479836.db2.gz NZUNEVHOJMFSOA-OAHLLOKOSA-N 1 2 403.438 3.868 50 0 HHAALO O=C(CCCc1nc2ccccc2s1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000022749042 558507234 /nfs/dbraw/zinc/50/72/34/558507234.db2.gz GGAYTOZAOPNGOS-FQEVSTJZSA-N 1 2 409.555 3.809 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc(Br)cc2)c1C ZINC000013135216 558521002 /nfs/dbraw/zinc/52/10/02/558521002.db2.gz JJUGSLAHPHJGRO-UHFFFAOYSA-N 1 2 407.308 3.885 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c1C ZINC000013135216 558521003 /nfs/dbraw/zinc/52/10/03/558521003.db2.gz JJUGSLAHPHJGRO-UHFFFAOYSA-N 1 2 407.308 3.885 50 0 HHAALO OCC[C@H]1C[N@H+](CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1ccsc1 ZINC000022919386 558522225 /nfs/dbraw/zinc/52/22/25/558522225.db2.gz QCDPANCERHKOSZ-FQEVSTJZSA-N 1 2 404.963 3.746 50 0 HHAALO OCC[C@H]1C[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)CCN1Cc1ccsc1 ZINC000022919386 558522227 /nfs/dbraw/zinc/52/22/27/558522227.db2.gz QCDPANCERHKOSZ-FQEVSTJZSA-N 1 2 404.963 3.746 50 0 HHAALO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000023257748 558546609 /nfs/dbraw/zinc/54/66/09/558546609.db2.gz LUIOOCICDSXPNH-OAQYLSRUSA-N 1 2 417.475 3.843 50 0 HHAALO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccsc3)CC2)c(Br)c1 ZINC000023376243 558555186 /nfs/dbraw/zinc/55/51/86/558555186.db2.gz ADNSWPHNXMBYEZ-HNNXBMFYSA-N 1 2 422.392 3.964 50 0 HHAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c2c(n1)onc2-c1ccccc1 ZINC000013641692 558555755 /nfs/dbraw/zinc/55/57/55/558555755.db2.gz SFJBTFLZXDMLHC-UHFFFAOYSA-N 1 2 413.481 3.551 50 0 HHAALO CCOc1ccccc1N1CC[NH+](CC(=O)N(CC)c2nc3ccccc3s2)CC1 ZINC000023697196 558568327 /nfs/dbraw/zinc/56/83/27/558568327.db2.gz NZMINFRTKZMPOO-UHFFFAOYSA-N 1 2 424.570 3.870 50 0 HHAALO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023800604 558576205 /nfs/dbraw/zinc/57/62/05/558576205.db2.gz XPARNZOWHFCALG-UHFFFAOYSA-N 1 2 410.905 3.667 50 0 HHAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023936785 558581903 /nfs/dbraw/zinc/58/19/03/558581903.db2.gz NSCRMHWHGBMGRC-YLJYHZDGSA-N 1 2 423.563 3.878 50 0 HHAALO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023936785 558581905 /nfs/dbraw/zinc/58/19/05/558581905.db2.gz NSCRMHWHGBMGRC-YLJYHZDGSA-N 1 2 423.563 3.878 50 0 HHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000024336257 558595324 /nfs/dbraw/zinc/59/53/24/558595324.db2.gz LXKXNKDBDXRSCL-IBGZPJMESA-N 1 2 423.340 3.870 50 0 HHAALO O=C(C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccccc1 ZINC000024755563 558610351 /nfs/dbraw/zinc/61/03/51/558610351.db2.gz OTLBBAWBRLQRSI-UHFFFAOYSA-N 1 2 412.843 3.905 50 0 HHAALO O=C(C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccccc1 ZINC000024755563 558610354 /nfs/dbraw/zinc/61/03/54/558610354.db2.gz OTLBBAWBRLQRSI-UHFFFAOYSA-N 1 2 412.843 3.905 50 0 HHAALO COc1ccccc1N1CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000014196352 558633461 /nfs/dbraw/zinc/63/34/61/558633461.db2.gz BQHUPAGHYYLGPW-UHFFFAOYSA-N 1 2 409.511 3.870 50 0 HHAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1Br ZINC000014238180 558642444 /nfs/dbraw/zinc/64/24/44/558642444.db2.gz VPWGDFSLSKGRSO-QGZVFWFLSA-N 1 2 422.319 3.532 50 0 HHAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1Br ZINC000014238180 558642448 /nfs/dbraw/zinc/64/24/48/558642448.db2.gz VPWGDFSLSKGRSO-QGZVFWFLSA-N 1 2 422.319 3.532 50 0 HHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000026386026 558659980 /nfs/dbraw/zinc/65/99/80/558659980.db2.gz MLZWQHYFBRCIHP-UHFFFAOYSA-N 1 2 402.498 3.507 50 0 HHAALO CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028265146 558693987 /nfs/dbraw/zinc/69/39/87/558693987.db2.gz MPDLHFOVOIMOCM-UHFFFAOYSA-N 1 2 419.550 3.983 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000028639156 558703032 /nfs/dbraw/zinc/70/30/32/558703032.db2.gz KNQHYQQGUIRGCR-KRWDZBQOSA-N 1 2 422.485 3.508 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)cc1 ZINC000028639156 558703034 /nfs/dbraw/zinc/70/30/34/558703034.db2.gz KNQHYQQGUIRGCR-KRWDZBQOSA-N 1 2 422.485 3.508 50 0 HHAALO Cc1nc2cc(N3C(=O)[C@@H]4C[C@H]3C[N@H+]4Cc3ccc4nccnc4c3)ccc2s1 ZINC000015071567 558713246 /nfs/dbraw/zinc/71/32/46/558713246.db2.gz QAOZIDJFJDLWLH-JXFKEZNVSA-N 1 2 401.495 3.538 50 0 HHAALO Cc1nc2cc(N3C(=O)[C@@H]4C[C@H]3C[N@@H+]4Cc3ccc4nccnc4c3)ccc2s1 ZINC000015071567 558713248 /nfs/dbraw/zinc/71/32/48/558713248.db2.gz QAOZIDJFJDLWLH-JXFKEZNVSA-N 1 2 401.495 3.538 50 0 HHAALO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)=O)ccc1OC(F)F ZINC000029850094 558722610 /nfs/dbraw/zinc/72/26/10/558722610.db2.gz YMVXAAGHDCOPBN-ZDUSSCGKSA-N 1 2 406.429 3.958 50 0 HHAALO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)=O)ccc1OC(F)F ZINC000029850094 558722611 /nfs/dbraw/zinc/72/26/11/558722611.db2.gz YMVXAAGHDCOPBN-ZDUSSCGKSA-N 1 2 406.429 3.958 50 0 HHAALO Cc1ccccc1OCC[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000015099583 558722734 /nfs/dbraw/zinc/72/27/34/558722734.db2.gz HSVCBZDEMNGAIW-UHFFFAOYSA-N 1 2 412.349 3.542 50 0 HHAALO Cc1ccccc1OCC[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000015099583 558722737 /nfs/dbraw/zinc/72/27/37/558722737.db2.gz HSVCBZDEMNGAIW-UHFFFAOYSA-N 1 2 412.349 3.542 50 0 HHAALO Cc1ccc(C)c(S(=O)(=O)C2(c3nc([C@@H](C)n4cc[nH+]c4)no3)CCCC2)c1 ZINC000072290524 558723547 /nfs/dbraw/zinc/72/35/47/558723547.db2.gz APYGLAMQWDJNGQ-MRXNPFEDSA-N 1 2 400.504 3.735 50 0 HHAALO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000029926727 558723979 /nfs/dbraw/zinc/72/39/79/558723979.db2.gz WDPNTHRTLXNROW-ZDUSSCGKSA-N 1 2 400.350 3.949 50 0 HHAALO COc1cccc(C[N@H+](C)Cc2cc3c(cc2Br)OCCO3)c1OC ZINC000015300093 558731135 /nfs/dbraw/zinc/73/11/35/558731135.db2.gz NJKOOTOADFAQHR-UHFFFAOYSA-N 1 2 408.292 3.870 50 0 HHAALO COc1cccc(C[N@@H+](C)Cc2cc3c(cc2Br)OCCO3)c1OC ZINC000015300093 558731136 /nfs/dbraw/zinc/73/11/36/558731136.db2.gz NJKOOTOADFAQHR-UHFFFAOYSA-N 1 2 408.292 3.870 50 0 HHAALO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)nc(C(C)C)[nH+]1 ZINC000016103111 558771910 /nfs/dbraw/zinc/77/19/10/558771910.db2.gz VEMVYWIYGIOJIJ-UHFFFAOYSA-N 1 2 402.926 3.598 50 0 HHAALO COC(=O)c1ccc(COc2coc(C[N@@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583963 558774617 /nfs/dbraw/zinc/77/46/17/558774617.db2.gz MCRXQHALPXLSAG-UHFFFAOYSA-N 1 2 405.450 3.564 50 0 HHAALO COC(=O)c1ccc(COc2coc(C[N@H+]3CCc4ccccc4C3)cc2=O)cc1 ZINC000004583963 558774621 /nfs/dbraw/zinc/77/46/21/558774621.db2.gz MCRXQHALPXLSAG-UHFFFAOYSA-N 1 2 405.450 3.564 50 0 HHAALO CCCCCc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000035600991 558793886 /nfs/dbraw/zinc/79/38/86/558793886.db2.gz PSTZGPMRGGJGHD-UHFFFAOYSA-N 1 2 400.588 3.968 50 0 HHAALO COc1cc(Br)c(C[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000016662642 558798383 /nfs/dbraw/zinc/79/83/83/558798383.db2.gz BXIYCSZEGRRIRA-UHFFFAOYSA-N 1 2 409.299 3.928 50 0 HHAALO COc1ccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)cc1COc1ccc(Cl)cc1 ZINC000017087516 558816465 /nfs/dbraw/zinc/81/64/65/558816465.db2.gz HHNHSSKOZRMXDQ-UHFFFAOYSA-N 1 2 406.833 3.909 50 0 HHAALO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000039447073 558821440 /nfs/dbraw/zinc/82/14/40/558821440.db2.gz NZDWIHQWCBYKEK-UHFFFAOYSA-N 1 2 419.518 3.587 50 0 HHAALO OCCNc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000033014947 558834381 /nfs/dbraw/zinc/83/43/81/558834381.db2.gz RQENCHPGLHYUHA-GOSISDBHSA-N 1 2 419.481 3.673 50 0 HHAALO Cc1c(Cl)cccc1NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000018250929 558834927 /nfs/dbraw/zinc/83/49/27/558834927.db2.gz VLPQKDAICURDNF-UHFFFAOYSA-N 1 2 403.935 3.892 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000022185515 558864072 /nfs/dbraw/zinc/86/40/72/558864072.db2.gz PBHHBTRXMPVQEG-SFHVURJKSA-N 1 2 417.431 3.714 50 0 HHAALO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000022185515 558864075 /nfs/dbraw/zinc/86/40/75/558864075.db2.gz PBHHBTRXMPVQEG-SFHVURJKSA-N 1 2 417.431 3.714 50 0 HHAALO CCOc1cc(CNC(=O)C2CCN(c3[nH]c4ccc(C)cc4[nH+]3)CC2)ccc1OC ZINC000033070842 558866370 /nfs/dbraw/zinc/86/63/70/558866370.db2.gz CWHHXIBZJKYLKU-UHFFFAOYSA-N 1 2 422.529 3.811 50 0 HHAALO CCOc1cc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)ccc1OC ZINC000033070842 558866372 /nfs/dbraw/zinc/86/63/72/558866372.db2.gz CWHHXIBZJKYLKU-UHFFFAOYSA-N 1 2 422.529 3.811 50 0 HHAALO CCOC(=O)c1cccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3CC)CC2)c1 ZINC000033106437 558874270 /nfs/dbraw/zinc/87/42/70/558874270.db2.gz CNMCXHCTPSHOGD-UHFFFAOYSA-N 1 2 421.501 3.587 50 0 HHAALO Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CC[NH+](C)CC2)CC[C@H](C)C3)cc1 ZINC000055195850 558875604 /nfs/dbraw/zinc/87/56/04/558875604.db2.gz SOKJWCIEGGIQFV-INIZCTEOSA-N 1 2 411.571 3.821 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCNC(=O)C2(C)C)cc1F ZINC000055383080 558880558 /nfs/dbraw/zinc/88/05/58/558880558.db2.gz ATXCXRBOPRKBPS-UHFFFAOYSA-N 1 2 422.504 3.706 50 0 HHAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCNC(=O)C2(C)C)cc1F ZINC000055383080 558880560 /nfs/dbraw/zinc/88/05/60/558880560.db2.gz ATXCXRBOPRKBPS-UHFFFAOYSA-N 1 2 422.504 3.706 50 0 HHAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000058158060 558903667 /nfs/dbraw/zinc/90/36/67/558903667.db2.gz ILECSHNDSCWAPI-UHFFFAOYSA-N 1 2 424.570 3.596 50 0 HHAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000058158060 558903668 /nfs/dbraw/zinc/90/36/68/558903668.db2.gz ILECSHNDSCWAPI-UHFFFAOYSA-N 1 2 424.570 3.596 50 0 HHAALO Cc1nn(C)c(Cl)c1C[N@H+]1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 ZINC000019537801 558913997 /nfs/dbraw/zinc/91/39/97/558913997.db2.gz DOSBDWKARPQZBE-UHFFFAOYSA-N 1 2 414.859 3.635 50 0 HHAALO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 ZINC000019537801 558913999 /nfs/dbraw/zinc/91/39/99/558913999.db2.gz DOSBDWKARPQZBE-UHFFFAOYSA-N 1 2 414.859 3.635 50 0 HHAALO O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000058423264 558925862 /nfs/dbraw/zinc/92/58/62/558925862.db2.gz HFZFGSALWUACOC-RMKNXTFCSA-N 1 2 401.304 3.933 50 0 HHAALO O=C(NCc1ccccn1)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065305027 558970704 /nfs/dbraw/zinc/97/07/04/558970704.db2.gz RHABJZVLOFFIMO-UHFFFAOYSA-N 1 2 423.520 3.886 50 0 HHAALO CN(Cc1cnn(-c2ccccc2)c1)C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000096983476 558987199 /nfs/dbraw/zinc/98/71/99/558987199.db2.gz ZZUVYRJUPBLAKI-RUZDIDTESA-N 1 2 411.509 3.605 50 0 HHAALO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000097134466 558996369 /nfs/dbraw/zinc/99/63/69/558996369.db2.gz FWAQZNOPANQIMH-QFIPXVFZSA-N 1 2 401.576 3.534 50 0 HHAALO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000097134466 558996371 /nfs/dbraw/zinc/99/63/71/558996371.db2.gz FWAQZNOPANQIMH-QFIPXVFZSA-N 1 2 401.576 3.534 50 0 HHAALO Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCOCC2)cc1 ZINC000023105809 559009684 /nfs/dbraw/zinc/00/96/84/559009684.db2.gz UKAXXENNFWPZBD-IBGZPJMESA-N 1 2 403.320 3.561 50 0 HHAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCN(c3ccccc3)CC1)S2 ZINC000023156808 559022744 /nfs/dbraw/zinc/02/27/44/559022744.db2.gz QJPMUERUSYFBSM-LJQANCHMSA-N 1 2 405.527 3.716 50 0 HHAALO COc1ccc(OC)c(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182206 559031857 /nfs/dbraw/zinc/03/18/57/559031857.db2.gz AAJSFOSVQCJWBG-IFXJQAMLSA-N 1 2 421.588 3.514 50 0 HHAALO CC1CCN(C(=O)[C@H]2c3ccccc3CC[N@H+]2CC(=O)N(C)Cc2ccccc2)CC1 ZINC000033312883 559054969 /nfs/dbraw/zinc/05/49/69/559054969.db2.gz IKFPGYPAKJRHJZ-RUZDIDTESA-N 1 2 419.569 3.503 50 0 HHAALO CC1CCN(C(=O)[C@H]2c3ccccc3CC[N@@H+]2CC(=O)N(C)Cc2ccccc2)CC1 ZINC000033312883 559054970 /nfs/dbraw/zinc/05/49/70/559054970.db2.gz IKFPGYPAKJRHJZ-RUZDIDTESA-N 1 2 419.569 3.503 50 0 HHAALO Cc1ccccc1[C@@H](CC(=O)N1CCC(O)(Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC000095496756 559081591 /nfs/dbraw/zinc/08/15/91/559081591.db2.gz WFADZAUZTRCFMY-QHCPKHFHSA-N 1 2 403.526 3.767 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)c2cc(Cl)nc3ccccc32)CC1)Nc1ccccc1 ZINC000011525986 559087635 /nfs/dbraw/zinc/08/76/35/559087635.db2.gz ARPZPVOKULFFDA-UHFFFAOYSA-N 1 2 422.916 3.721 50 0 HHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000247859738 559176513 /nfs/dbraw/zinc/17/65/13/559176513.db2.gz VVIVFNQBYGCAAP-WQVCFCJDSA-N 1 2 410.308 3.526 50 0 HHAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000247859738 559176514 /nfs/dbraw/zinc/17/65/14/559176514.db2.gz VVIVFNQBYGCAAP-WQVCFCJDSA-N 1 2 410.308 3.526 50 0 HHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000078737306 560540519 /nfs/dbraw/zinc/54/05/19/560540519.db2.gz USYKLHIKPBHRSL-SFHVURJKSA-N 1 2 402.445 3.980 50 0 HHAALO O=C(NC(=S)N1CCN(c2cccc[nH+]2)CC1)c1sc2ccccc2c1Cl ZINC000018192700 560782120 /nfs/dbraw/zinc/78/21/20/560782120.db2.gz KNAFFIONRXGKGA-UHFFFAOYSA-N 1 2 416.959 3.787 50 0 HHAALO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018214222 560784849 /nfs/dbraw/zinc/78/48/49/560784849.db2.gz GAIZCLIPAOHSOO-MRXNPFEDSA-N 1 2 404.963 3.969 50 0 HHAALO CCOC(=O)Nc1ccc2c(C[N@H+](C)CC(=O)Nc3ccc(C)cc3)cc(=O)oc2c1 ZINC000102986563 560836047 /nfs/dbraw/zinc/83/60/47/560836047.db2.gz UWKWYUKACBJUAW-UHFFFAOYSA-N 1 2 423.469 3.740 50 0 HHAALO CCOC(=O)Nc1ccc2c(C[N@@H+](C)CC(=O)Nc3ccc(C)cc3)cc(=O)oc2c1 ZINC000102986563 560836048 /nfs/dbraw/zinc/83/60/48/560836048.db2.gz UWKWYUKACBJUAW-UHFFFAOYSA-N 1 2 423.469 3.740 50 0 HHAALO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022907421 568415902 /nfs/dbraw/zinc/41/59/02/568415902.db2.gz JAFYZNSRADEOET-QFIPXVFZSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022907421 568415903 /nfs/dbraw/zinc/41/59/03/568415903.db2.gz JAFYZNSRADEOET-QFIPXVFZSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907468 568416029 /nfs/dbraw/zinc/41/60/29/568416029.db2.gz LRWKATNNHLBVIM-OAQYLSRUSA-N 1 2 417.509 3.751 50 0 HHAALO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907468 568416030 /nfs/dbraw/zinc/41/60/30/568416030.db2.gz LRWKATNNHLBVIM-OAQYLSRUSA-N 1 2 417.509 3.751 50 0 HHAALO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC000048287423 568434706 /nfs/dbraw/zinc/43/47/06/568434706.db2.gz IWYRBWLYUXOJKQ-KNQAVFIVSA-N 1 2 420.557 3.688 50 0 HHAALO O=S(=O)(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000048279266 568435839 /nfs/dbraw/zinc/43/58/39/568435839.db2.gz NKFIRMGBYAKXKG-SFHVURJKSA-N 1 2 400.878 3.734 50 0 HHAALO O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCn1cc[nH+]c1 ZINC000048325377 568438648 /nfs/dbraw/zinc/43/86/48/568438648.db2.gz BPVQDUPVFQRGKT-UHFFFAOYSA-N 1 2 405.889 3.748 50 0 HHAALO CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000048325609 568438678 /nfs/dbraw/zinc/43/86/78/568438678.db2.gz JVVJTNRQPQSVRG-UHFFFAOYSA-N 1 2 423.557 3.575 50 0 HHAALO CCN(C[C@H]1CCCO1)C(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 ZINC000215827202 568461979 /nfs/dbraw/zinc/46/19/79/568461979.db2.gz ULUAOAVCPODDNL-HYBUGGRVSA-N 1 2 424.541 3.658 50 0 HHAALO CCN(C[C@H]1CCCO1)C(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2OC)C1 ZINC000215827202 568461980 /nfs/dbraw/zinc/46/19/80/568461980.db2.gz ULUAOAVCPODDNL-HYBUGGRVSA-N 1 2 424.541 3.658 50 0 HHAALO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000022767190 568499221 /nfs/dbraw/zinc/49/92/21/568499221.db2.gz IGWNKJOMADODTR-HXUWFJFHSA-N 1 2 413.543 3.611 50 0 HHAALO COc1ccc2nc3oc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3cc2c1 ZINC000020210022 568594183 /nfs/dbraw/zinc/59/41/83/568594183.db2.gz BEVPROPDQPYPBE-UHFFFAOYSA-N 1 2 401.466 3.948 50 0 HHAALO O=C1OCC[C@H]1[NH+]1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000095437068 568609728 /nfs/dbraw/zinc/60/97/28/568609728.db2.gz BGNWLRDTLATSTM-QGZVFWFLSA-N 1 2 412.490 3.689 50 0 HHAALO Cn1cc(-c2nc(C[N@H+](C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cs2)cn1 ZINC000095954498 568668817 /nfs/dbraw/zinc/66/88/17/568668817.db2.gz PXSKFRIWOJMUPO-IRXDYDNUSA-N 1 2 409.342 3.941 50 0 HHAALO Cn1cc(-c2nc(C[N@@H+](C)[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3O)cs2)cn1 ZINC000095954498 568668819 /nfs/dbraw/zinc/66/88/19/568668819.db2.gz PXSKFRIWOJMUPO-IRXDYDNUSA-N 1 2 409.342 3.941 50 0 HHAALO COc1ccc(CNc2nc3ccccc3n2CCCn2cc[nH+]c2)c(OC)c1OC ZINC000095990278 568677814 /nfs/dbraw/zinc/67/78/14/568677814.db2.gz UGSQJHVEFSSSHN-UHFFFAOYSA-N 1 2 421.501 3.961 50 0 HHAALO COc1ccc(CNc2[nH+]c3ccccc3n2CCCn2ccnc2)c(OC)c1OC ZINC000095990278 568677816 /nfs/dbraw/zinc/67/78/16/568677816.db2.gz UGSQJHVEFSSSHN-UHFFFAOYSA-N 1 2 421.501 3.961 50 0 HHAALO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097142 568689238 /nfs/dbraw/zinc/68/92/38/568689238.db2.gz AVJXUMCMXVUIOQ-UHFFFAOYSA-N 1 2 411.405 3.586 50 0 HHAALO Cc1ccc(F)c([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2c[nH]c3ccccc32)c1 ZINC000096289151 568719651 /nfs/dbraw/zinc/71/96/51/568719651.db2.gz ROYRQOLVMWQJHF-LJQANCHMSA-N 1 2 409.505 3.586 50 0 HHAALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)c3ccco3)CC2)c1Cc1ccccc1F ZINC000096316879 568725987 /nfs/dbraw/zinc/72/59/87/568725987.db2.gz BXKHVWVPKGJAFC-UHFFFAOYSA-N 1 2 420.488 3.948 50 0 HHAALO CCNC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(CC)c2Cc2ccc(C)cc2)CC1 ZINC000096317624 568726961 /nfs/dbraw/zinc/72/69/61/568726961.db2.gz RGKZASVUBLTJRS-UHFFFAOYSA-N 1 2 423.605 3.988 50 0 HHAALO COc1ccc(OC)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000000929250 568750930 /nfs/dbraw/zinc/75/09/30/568750930.db2.gz VVZSULPLWVSRKS-UHFFFAOYSA-N 1 2 421.482 3.564 50 0 HHAALO Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000096889847 568765102 /nfs/dbraw/zinc/76/51/02/568765102.db2.gz VLBYVGJKCVZSOB-UHFFFAOYSA-N 1 2 402.564 3.543 50 0 HHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(F)c2)CC1 ZINC000022460525 568768469 /nfs/dbraw/zinc/76/84/69/568768469.db2.gz GKAZMXGMTVNCOJ-HNAYVOBHSA-N 1 2 406.596 3.941 50 0 HHAALO C[C@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1-c1ccccc1)[NH+](C)C ZINC000002726018 568803893 /nfs/dbraw/zinc/80/38/93/568803893.db2.gz QWODJSOHOJVUOI-CYBMUJFWSA-N 1 2 416.938 3.669 50 0 HHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056945550 568821623 /nfs/dbraw/zinc/82/16/23/568821623.db2.gz VSGADAPNUCKCOQ-NRFANRHFSA-N 1 2 411.452 3.851 50 0 HHAALO Cc1ccc(N2C(=O)N(C[N@H+](C)Cc3ccccc3N3CCCC3)C(=O)[C@H]2C)cc1 ZINC000057292116 568826193 /nfs/dbraw/zinc/82/61/93/568826193.db2.gz AQKLHPVVUDFDSG-LJQANCHMSA-N 1 2 406.530 3.842 50 0 HHAALO Cc1ccc(N2C(=O)N(C[N@@H+](C)Cc3ccccc3N3CCCC3)C(=O)[C@H]2C)cc1 ZINC000057292116 568826195 /nfs/dbraw/zinc/82/61/95/568826195.db2.gz AQKLHPVVUDFDSG-LJQANCHMSA-N 1 2 406.530 3.842 50 0 HHAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)NC(c1ccccc1)c1ccccc1 ZINC000057363979 568829248 /nfs/dbraw/zinc/82/92/48/568829248.db2.gz MDCJJRGDZHBUIT-UHFFFAOYSA-N 1 2 403.501 3.854 50 0 HHAALO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057406383 568832799 /nfs/dbraw/zinc/83/27/99/568832799.db2.gz HECGBIKRRKEQRL-HNNXBMFYSA-N 1 2 407.436 3.863 50 0 HHAALO COc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH+]c2c1 ZINC000003047796 568849380 /nfs/dbraw/zinc/84/93/80/568849380.db2.gz OSVMRGRWISRIJP-INIZCTEOSA-N 1 2 412.921 3.800 50 0 HHAALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c(OC)c1 ZINC000003264583 568849442 /nfs/dbraw/zinc/84/94/42/568849442.db2.gz GSKCJXYAGVWCHA-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c(OC)c1 ZINC000003264583 568849444 /nfs/dbraw/zinc/84/94/44/568849444.db2.gz GSKCJXYAGVWCHA-UHFFFAOYSA-N 1 2 409.511 3.971 50 0 HHAALO CN([C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000012548003 568851116 /nfs/dbraw/zinc/85/11/16/568851116.db2.gz MSDIZQHDEDPHTP-KRWDZBQOSA-N 1 2 411.861 3.762 50 0 HHAALO CC(=O)c1ccc(S(=O)(=O)N(C)[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012556821 568855788 /nfs/dbraw/zinc/85/57/88/568855788.db2.gz NYMJQDOWUPTBCO-IBGZPJMESA-N 1 2 417.918 3.686 50 0 HHAALO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030029592 568856678 /nfs/dbraw/zinc/85/66/78/568856678.db2.gz AFGKGXBFNGSKOP-WIYYLYMNSA-N 1 2 411.571 3.571 50 0 HHAALO Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030029592 568856682 /nfs/dbraw/zinc/85/66/82/568856682.db2.gz AFGKGXBFNGSKOP-WIYYLYMNSA-N 1 2 411.571 3.571 50 0 HHAALO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030029593 568856891 /nfs/dbraw/zinc/85/68/91/568856891.db2.gz AFGKGXBFNGSKOP-GHTZIAJQSA-N 1 2 411.571 3.571 50 0 HHAALO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030029593 568856893 /nfs/dbraw/zinc/85/68/93/568856893.db2.gz AFGKGXBFNGSKOP-GHTZIAJQSA-N 1 2 411.571 3.571 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000012559422 568857059 /nfs/dbraw/zinc/85/70/59/568857059.db2.gz ULHGWELCEMQKEE-MRXNPFEDSA-N 1 2 406.230 3.980 50 0 HHAALO c1ccc(-n2c(C[NH+]3CCCC3)nnc2SC[C@H]2COc3ccccc3O2)cc1 ZINC000012609227 568871517 /nfs/dbraw/zinc/87/15/17/568871517.db2.gz PFQARRUKNHZLDH-GOSISDBHSA-N 1 2 408.527 3.795 50 0 HHAALO CC[N@H+](CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1 ZINC000004034914 568879402 /nfs/dbraw/zinc/87/94/02/568879402.db2.gz IPPCPHIIAQDCOR-JOCHJYFZSA-N 1 2 411.521 3.658 50 0 HHAALO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1 ZINC000004034914 568879405 /nfs/dbraw/zinc/87/94/05/568879405.db2.gz IPPCPHIIAQDCOR-JOCHJYFZSA-N 1 2 411.521 3.658 50 0 HHAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000058135944 568890288 /nfs/dbraw/zinc/89/02/88/568890288.db2.gz GVLCLTINIFMPER-FQEVSTJZSA-N 1 2 410.518 3.576 50 0 HHAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)C2=O ZINC000012682667 568907800 /nfs/dbraw/zinc/90/78/00/568907800.db2.gz NAMHZQKSDYBGKG-XCGNWRKASA-N 1 2 412.559 3.934 50 0 HHAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)C2=O ZINC000012682667 568907803 /nfs/dbraw/zinc/90/78/03/568907803.db2.gz NAMHZQKSDYBGKG-XCGNWRKASA-N 1 2 412.559 3.934 50 0 HHAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000003544913 568914197 /nfs/dbraw/zinc/91/41/97/568914197.db2.gz ZPXSNBWHWDLLOE-HNNXBMFYSA-N 1 2 401.495 3.885 50 0 HHAALO Cc1c(OCC(=O)NCCCn2cc[nH+]c2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000003985175 568931116 /nfs/dbraw/zinc/93/11/16/568931116.db2.gz IOOIHYRMYBZGGK-UHFFFAOYSA-N 1 2 417.465 3.550 50 0 biogenic HHAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCn1cc[nH+]c1)oc1c3CCCC1 ZINC000003985196 568931215 /nfs/dbraw/zinc/93/12/15/568931215.db2.gz LAPGNXURBWNAGO-UHFFFAOYSA-N 1 2 419.481 3.672 50 0 biogenic HHAALO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCCn3cc[nH+]c3)c(C)c21 ZINC000003985204 568931264 /nfs/dbraw/zinc/93/12/64/568931264.db2.gz DXSSMKKXHUMCCL-UHFFFAOYSA-N 1 2 407.470 3.718 50 0 biogenic HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000006445947 568936659 /nfs/dbraw/zinc/93/66/59/568936659.db2.gz GIVOPYHHSKYZIU-DZGCQCFKSA-N 1 2 424.452 3.622 50 0 HHAALO C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007987210 568965091 /nfs/dbraw/zinc/96/50/91/568965091.db2.gz XBUQUMFEGAPNKH-QGZVFWFLSA-N 1 2 419.481 3.874 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Br ZINC000008004226 568967785 /nfs/dbraw/zinc/96/77/85/568967785.db2.gz ZXYSACBRCJHNSF-UHFFFAOYSA-N 1 2 416.319 3.738 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)NC(=O)NCCC1=CCCCC1 ZINC000008132665 568975806 /nfs/dbraw/zinc/97/58/06/568975806.db2.gz GGZQEPGAHXOSFX-UHFFFAOYSA-N 1 2 423.561 3.637 50 0 HHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)NC(=O)NCCC1=CCCCC1 ZINC000008132665 568975809 /nfs/dbraw/zinc/97/58/09/568975809.db2.gz GGZQEPGAHXOSFX-UHFFFAOYSA-N 1 2 423.561 3.637 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cn2c(n1)nc(C)cc2C ZINC000008133364 568976443 /nfs/dbraw/zinc/97/64/43/568976443.db2.gz ZUQABEHCVJUDOA-UHFFFAOYSA-N 1 2 405.424 3.614 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cn2c(n1)nc(C)cc2C ZINC000008133364 568976445 /nfs/dbraw/zinc/97/64/45/568976445.db2.gz ZUQABEHCVJUDOA-UHFFFAOYSA-N 1 2 405.424 3.614 50 0 HHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000008135180 568976829 /nfs/dbraw/zinc/97/68/29/568976829.db2.gz WRAIDTUOGLKZCC-CYBMUJFWSA-N 1 2 402.292 3.691 50 0 HHAALO Cc1ccc2[nH+]c(CSc3nnc(N4CCOCC4)n3-c3ccccc3C)cn2c1 ZINC000008156699 568978261 /nfs/dbraw/zinc/97/82/61/568978261.db2.gz RSSIATCEOIDBFY-UHFFFAOYSA-N 1 2 420.542 3.661 50 0 HHAALO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000012807275 568979989 /nfs/dbraw/zinc/97/99/89/568979989.db2.gz DJBZXTZIQYXNKJ-RUZDIDTESA-N 1 2 400.522 3.913 50 0 HHAALO O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000012807275 568979991 /nfs/dbraw/zinc/97/99/91/568979991.db2.gz DJBZXTZIQYXNKJ-RUZDIDTESA-N 1 2 400.522 3.913 50 0 HHAALO Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)s2)n[nH]1 ZINC000015734986 568984048 /nfs/dbraw/zinc/98/40/48/568984048.db2.gz JYCOMOIHPBNBEI-UHFFFAOYSA-N 1 2 402.545 3.843 50 0 HHAALO CC[N@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008346230 568994833 /nfs/dbraw/zinc/99/48/33/568994833.db2.gz XHQCBFUIWLQUTE-QGZVFWFLSA-N 1 2 407.489 3.944 50 0 HHAALO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008346230 568994834 /nfs/dbraw/zinc/99/48/34/568994834.db2.gz XHQCBFUIWLQUTE-QGZVFWFLSA-N 1 2 407.489 3.944 50 0 HHAALO COc1ccc(CNC(=O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000008389266 568996576 /nfs/dbraw/zinc/99/65/76/568996576.db2.gz QRVBADZYGGSYOF-UHFFFAOYSA-N 1 2 400.482 3.973 50 0 HHAALO O=C(Cc1cccs1)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000038597462 569002904 /nfs/dbraw/zinc/00/29/04/569002904.db2.gz LUKSIMRLYWMWMU-HXUWFJFHSA-N 1 2 413.518 3.702 50 0 HHAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)c(F)c1 ZINC000104357395 569008303 /nfs/dbraw/zinc/00/83/03/569008303.db2.gz CCINMOOHFPNXIW-LJQANCHMSA-N 1 2 404.551 3.625 50 0 HHAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)c(F)c1 ZINC000104357395 569008304 /nfs/dbraw/zinc/00/83/04/569008304.db2.gz CCINMOOHFPNXIW-LJQANCHMSA-N 1 2 404.551 3.625 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000012885396 569019497 /nfs/dbraw/zinc/01/94/97/569019497.db2.gz JNLZWQPDHHFWRQ-UHFFFAOYSA-N 1 2 422.312 3.988 50 0 HHAALO C[N@@H+](Cc1ccsc1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012937057 569027372 /nfs/dbraw/zinc/02/73/72/569027372.db2.gz KRTHMJPWZSRIQV-HSZRJFAPSA-N 1 2 405.523 3.827 50 0 HHAALO C[N@H+](Cc1ccsc1)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O ZINC000012937057 569027373 /nfs/dbraw/zinc/02/73/73/569027373.db2.gz KRTHMJPWZSRIQV-HSZRJFAPSA-N 1 2 405.523 3.827 50 0 HHAALO COc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1 ZINC000035403879 569035539 /nfs/dbraw/zinc/03/55/39/569035539.db2.gz PGRITOXPIDXHEK-UHFFFAOYSA-N 1 2 402.498 3.917 50 0 HHAALO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1 ZINC000035403879 569035540 /nfs/dbraw/zinc/03/55/40/569035540.db2.gz PGRITOXPIDXHEK-UHFFFAOYSA-N 1 2 402.498 3.917 50 0 HHAALO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3cn4c([nH+]3)CCCC4)nn2)n1 ZINC000575619100 569038485 /nfs/dbraw/zinc/03/84/85/569038485.db2.gz GLPFQHNVXGGTSC-UHFFFAOYSA-N 1 2 413.485 3.731 50 0 HHAALO O=S(=O)(c1cc(F)ccc1F)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000090560573 569041138 /nfs/dbraw/zinc/04/11/38/569041138.db2.gz RENNNFKORNJZCT-UHFFFAOYSA-N 1 2 417.481 3.929 50 0 HHAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC(F)F ZINC000018017359 569047079 /nfs/dbraw/zinc/04/70/79/569047079.db2.gz FDVZIKQCYPJODK-UHFFFAOYSA-N 1 2 410.848 3.908 50 0 HHAALO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)cc1C ZINC000245311651 569055681 /nfs/dbraw/zinc/05/56/81/569055681.db2.gz PNWRSFZTCKAQCO-XSDIEEQYSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)cc1C ZINC000245311651 569055682 /nfs/dbraw/zinc/05/56/82/569055682.db2.gz PNWRSFZTCKAQCO-XSDIEEQYSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245329474 569056101 /nfs/dbraw/zinc/05/61/01/569056101.db2.gz ZJJGWZQWROXYET-IVAOSVALSA-N 1 2 422.912 3.792 50 0 HHAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245329474 569056102 /nfs/dbraw/zinc/05/61/02/569056102.db2.gz ZJJGWZQWROXYET-IVAOSVALSA-N 1 2 422.912 3.792 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cnc2ccccc2n1 ZINC000006609493 569072033 /nfs/dbraw/zinc/07/20/33/569072033.db2.gz LFAIKLIVEDKXMS-UHFFFAOYSA-N 1 2 401.495 3.897 50 0 HHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cnc2ccccc2n1 ZINC000006609493 569072034 /nfs/dbraw/zinc/07/20/34/569072034.db2.gz LFAIKLIVEDKXMS-UHFFFAOYSA-N 1 2 401.495 3.897 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036026469 569079530 /nfs/dbraw/zinc/07/95/30/569079530.db2.gz HCWUSWBRRLWJEX-NFBKMPQASA-N 1 2 419.569 3.769 50 0 HHAALO CCCN(C)c1cc(C)[nH+]c(SCc2ccc(C(=O)NCc3cccnc3)o2)n1 ZINC000006695732 569091565 /nfs/dbraw/zinc/09/15/65/569091565.db2.gz FFIHXCLTCQWTDE-UHFFFAOYSA-N 1 2 411.531 3.842 50 0 HHAALO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NCCC(C)C)C3CCCC3)CC2)cc1 ZINC000036254661 569120049 /nfs/dbraw/zinc/12/00/49/569120049.db2.gz HNHNSEJDVNQNQS-HSZRJFAPSA-N 1 2 413.606 3.728 50 0 HHAALO CC[C@@H](C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000036310561 569131782 /nfs/dbraw/zinc/13/17/82/569131782.db2.gz HVCKVPVXVSGICV-UTKZUKDTSA-N 1 2 418.557 3.696 50 0 HHAALO COc1ccc(-c2cc(C(F)(F)F)nc(N3[NH2+]C=C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000006846364 569153673 /nfs/dbraw/zinc/15/36/73/569153673.db2.gz GUUIPTVACNQHIN-CQSZACIVSA-N 1 2 406.286 3.618 50 0 HHAALO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000006859632 569157228 /nfs/dbraw/zinc/15/72/28/569157228.db2.gz QCBFWICKYGSBSV-FQEVSTJZSA-N 1 2 410.905 3.604 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccc(OC)cc3)C2)nc[nH+]1 ZINC000065245114 569204992 /nfs/dbraw/zinc/20/49/92/569204992.db2.gz WKJBLBBUVNVZGU-ZWKOTPCHSA-N 1 2 411.550 3.791 50 0 HHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccc(OC)cc3)C2)[nH+]cn1 ZINC000065245114 569204993 /nfs/dbraw/zinc/20/49/93/569204993.db2.gz WKJBLBBUVNVZGU-ZWKOTPCHSA-N 1 2 411.550 3.791 50 0 HHAALO COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)cn1 ZINC000065260090 569211029 /nfs/dbraw/zinc/21/10/29/569211029.db2.gz NAFUSYFCRVQFDF-HSZRJFAPSA-N 1 2 407.518 3.609 50 0 HHAALO CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Cl)c1Cl ZINC000007292808 569232445 /nfs/dbraw/zinc/23/24/45/569232445.db2.gz BHQGMNKSQAHHOQ-UHFFFAOYSA-N 1 2 422.356 3.896 50 0 HHAALO CC(C)(C)OC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000009881167 569251177 /nfs/dbraw/zinc/25/11/77/569251177.db2.gz IIDMVNADRQMQSY-UHFFFAOYSA-N 1 2 406.527 3.826 50 0 HHAALO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000027113080 569279879 /nfs/dbraw/zinc/27/98/79/569279879.db2.gz IXHRSUYQYJOAHO-QFBILLFUSA-N 1 2 418.632 3.684 50 0 HHAALO O=c1[nH]c(C[N@@H+](Cc2cccc3cccnc32)C[C@H]2CCCO2)nc2ccccc21 ZINC000054619039 569292379 /nfs/dbraw/zinc/29/23/79/569292379.db2.gz NJYCJGOWJHDFPE-LJQANCHMSA-N 1 2 400.482 3.653 50 0 HHAALO O=c1[nH]c(C[N@H+](Cc2cccc3cccnc32)C[C@H]2CCCO2)nc2ccccc21 ZINC000054619039 569292380 /nfs/dbraw/zinc/29/23/80/569292380.db2.gz NJYCJGOWJHDFPE-LJQANCHMSA-N 1 2 400.482 3.653 50 0 HHAALO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc2c1OCOC2 ZINC000007669509 569299839 /nfs/dbraw/zinc/29/98/39/569299839.db2.gz QJJXADIRKRSTTE-UHFFFAOYSA-N 1 2 417.893 3.626 50 0 HHAALO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc2c1OCOC2 ZINC000007669509 569299840 /nfs/dbraw/zinc/29/98/40/569299840.db2.gz QJJXADIRKRSTTE-UHFFFAOYSA-N 1 2 417.893 3.626 50 0 HHAALO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000007951653 569410206 /nfs/dbraw/zinc/41/02/06/569410206.db2.gz BADUTGBRQXTNFS-UHFFFAOYSA-N 1 2 421.541 3.957 50 0 HHAALO Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000007951653 569410207 /nfs/dbraw/zinc/41/02/07/569410207.db2.gz BADUTGBRQXTNFS-UHFFFAOYSA-N 1 2 421.541 3.957 50 0 HHAALO C[C@H](CNC(=O)c1cc(-c2ccccc2)ns1)[NH+]1CCN(c2ccccc2)CC1 ZINC000078902902 569421596 /nfs/dbraw/zinc/42/15/96/569421596.db2.gz RVEYXGDWJDYBKR-GOSISDBHSA-N 1 2 406.555 3.751 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1 ZINC000079111112 569428136 /nfs/dbraw/zinc/42/81/36/569428136.db2.gz IWYRFHBWVIZEDV-UHFFFAOYSA-N 1 2 417.481 3.521 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1 ZINC000079111112 569428138 /nfs/dbraw/zinc/42/81/38/569428138.db2.gz IWYRFHBWVIZEDV-UHFFFAOYSA-N 1 2 417.481 3.521 50 0 HHAALO C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671563 571060730 /nfs/dbraw/zinc/06/07/30/571060730.db2.gz CMCYEGNMPWXNQA-FHERZECASA-N 1 2 400.523 3.866 50 0 HHAALO O=C(c1cnc2ccc(F)cc2c1N1CCN(c2cccc[nH+]2)CC1)N1CCCCC1 ZINC000067288182 571066053 /nfs/dbraw/zinc/06/60/53/571066053.db2.gz TUPPXUYLSHXIOP-UHFFFAOYSA-N 1 2 419.504 3.722 50 0 HHAALO Cc1cc(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(C)n1C ZINC000008723902 571107508 /nfs/dbraw/zinc/10/75/08/571107508.db2.gz DZBXSUVHWGAPHS-UHFFFAOYSA-N 1 2 409.559 3.793 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000040058043 571146102 /nfs/dbraw/zinc/14/61/02/571146102.db2.gz PSKMPSSVWDXAFA-BEFAXECRSA-N 1 2 415.515 3.658 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2cccs2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000040058043 571146103 /nfs/dbraw/zinc/14/61/03/571146103.db2.gz PSKMPSSVWDXAFA-BEFAXECRSA-N 1 2 415.515 3.658 50 0 HHAALO O=C(NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1)c1ccc[n+]([O-])c1 ZINC000040112509 571170752 /nfs/dbraw/zinc/17/07/52/571170752.db2.gz JMFSQLDRSGNBRO-LJQANCHMSA-N 1 2 413.930 3.564 50 0 HHAALO O=C(NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1)c1ccc[n+]([O-])c1 ZINC000040112509 571170755 /nfs/dbraw/zinc/17/07/55/571170755.db2.gz JMFSQLDRSGNBRO-LJQANCHMSA-N 1 2 413.930 3.564 50 0 HHAALO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000040153625 571200971 /nfs/dbraw/zinc/20/09/71/571200971.db2.gz CAMGSBZHWWUCFF-UHFFFAOYSA-N 1 2 402.438 3.715 50 0 HHAALO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(C(F)(F)F)c1 ZINC000040153625 571200973 /nfs/dbraw/zinc/20/09/73/571200973.db2.gz CAMGSBZHWWUCFF-UHFFFAOYSA-N 1 2 402.438 3.715 50 0 HHAALO COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)[NH+]2CCCCC2)cc1 ZINC000009314420 571247236 /nfs/dbraw/zinc/24/72/36/571247236.db2.gz RADJJKXNUWCXHH-INIZCTEOSA-N 1 2 414.980 3.916 50 0 HHAALO C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872895 571289103 /nfs/dbraw/zinc/28/91/03/571289103.db2.gz CKFZNCNNBYMQIU-IEBWSBKVSA-N 1 2 413.591 3.650 50 0 HHAALO Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000071326451 571291706 /nfs/dbraw/zinc/29/17/06/571291706.db2.gz DNKNBXLQCJNUMQ-UHFFFAOYSA-N 1 2 414.922 3.601 50 0 HHAALO Cc1c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cnn1-c1cccc(C)c1 ZINC000013007654 962361024 /nfs/dbraw/zinc/36/10/24/962361024.db2.gz VOTLKUSSNJBWGO-YRNVUSSQSA-N 1 2 400.526 3.960 50 0 HHAALO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccc3nsnc3c1)CC2)c1ccncc1 ZINC000015075413 962650262 /nfs/dbraw/zinc/65/02/62/962650262.db2.gz PXNHBQIFPFNIHJ-UHFFFAOYSA-N 1 2 401.495 3.897 50 0 HHAALO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccc3nsnc3c1)CC2)c1ccncc1 ZINC000015075413 962650268 /nfs/dbraw/zinc/65/02/68/962650268.db2.gz PXNHBQIFPFNIHJ-UHFFFAOYSA-N 1 2 401.495 3.897 50 0 HHAALO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745121 963375058 /nfs/dbraw/zinc/37/50/58/963375058.db2.gz WTQQWFDYLVQIKA-QHCPKHFHSA-N 1 2 408.542 3.929 50 0 HHAALO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745121 963375063 /nfs/dbraw/zinc/37/50/63/963375063.db2.gz WTQQWFDYLVQIKA-QHCPKHFHSA-N 1 2 408.542 3.929 50 0 HHAALO COc1cc(/C=C\C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc(OC)c1OC ZINC000033675659 966412061 /nfs/dbraw/zinc/41/20/61/966412061.db2.gz NQWZIDKIORFANC-NEFYYVMFSA-N 1 2 422.525 3.583 50 0 HHAALO O=C(/C=C\c1ccc(Br)o1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536641 969045944 /nfs/dbraw/zinc/04/59/44/969045944.db2.gz ZJZJRZJJXUFDTD-SKQDYVHHSA-N 1 2 401.304 3.913 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H]1Cc3ccccc3C[N@H+]1C)O2 ZINC000299769922 970722538 /nfs/dbraw/zinc/72/25/38/970722538.db2.gz YIVDNKAQTBALAB-GOTSBHOMSA-N 1 2 413.521 3.533 50 0 HHAALO Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)[C@@H]1Cc3ccccc3C[N@@H+]1C)O2 ZINC000299769922 970722545 /nfs/dbraw/zinc/72/25/45/970722545.db2.gz YIVDNKAQTBALAB-GOTSBHOMSA-N 1 2 413.521 3.533 50 0 HHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000001142271 132238794 /nfs/dbraw/zinc/23/87/94/132238794.db2.gz QMNLEEHRJLNXBN-UHFFFAOYSA-N 1 2 402.477 3.898 50 0 HHAALO CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000004724869 132285919 /nfs/dbraw/zinc/28/59/19/132285919.db2.gz MQZWVLYCYNDRJH-IBGZPJMESA-N 1 2 408.546 3.909 50 0 HHAALO CCCc1cc(N2CCN(c3cccc[nH+]3)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000006764449 132315306 /nfs/dbraw/zinc/31/53/06/132315306.db2.gz JFFAWTFUKXKUQB-UHFFFAOYSA-N 1 2 401.518 3.568 50 0 HHAALO CC[NH+](CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000008974907 132334356 /nfs/dbraw/zinc/33/43/56/132334356.db2.gz PDVCOBDDSVAVIL-CAPFRKAQSA-N 1 2 406.486 3.810 50 0 HHAALO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000020542866 520464568 /nfs/dbraw/zinc/46/45/68/520464568.db2.gz BKNURUUEUWKONP-UHFFFAOYSA-N 1 2 407.514 3.960 50 0 HHAALO CCOc1ccc(C(=O)N[C@H](C(=O)OCc2cn3cc(C)ccc3[nH+]2)C(C)C)cc1 ZINC000032829710 520915115 /nfs/dbraw/zinc/91/51/15/520915115.db2.gz SOLITMXZOFIPEF-NRFANRHFSA-N 1 2 409.486 3.539 50 0 HHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000032797424 524253584 /nfs/dbraw/zinc/25/35/84/524253584.db2.gz BMOIERCKABGXNC-ZDUSSCGKSA-N 1 2 419.884 3.862 50 0 HHAALO Cc1ccc(S(=O)(=O)c2ccc(CSc3[nH+]cnc4c3cnn4C)cc2)cc1 ZINC000032331074 525632573 /nfs/dbraw/zinc/63/25/73/525632573.db2.gz RXHTVAFZSKNXIZ-UHFFFAOYSA-N 1 2 410.524 3.797 50 0 HHAALO Cc1cc(/C=C/C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(C)n1C1CC1 ZINC000032748279 526082537 /nfs/dbraw/zinc/08/25/37/526082537.db2.gz IEVICWFTQIJKSJ-XBXARRHUSA-N 1 2 405.542 3.732 50 0 HHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000032797423 526137756 /nfs/dbraw/zinc/13/77/56/526137756.db2.gz BMOIERCKABGXNC-CYBMUJFWSA-N 1 2 419.884 3.862 50 0 HHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(I)cc1 ZINC000001050023 557159058 /nfs/dbraw/zinc/15/90/58/557159058.db2.gz OGLUCGQGVRXQDW-AWEZNQCLSA-N 1 2 422.266 3.643 50 0 HHAALO Cc1cccc(C(=O)N2CCc3[nH+]c(N4CCC(C)CC4)nc(N4CCCC4)c3C2)c1 ZINC000034676670 557363949 /nfs/dbraw/zinc/36/39/49/557363949.db2.gz BAHBZPQAVNPSQO-UHFFFAOYSA-N 1 2 419.573 3.820 50 0 HHAALO O=C(NCc1ccccc1)c1coc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000034677966 557365677 /nfs/dbraw/zinc/36/56/77/557365677.db2.gz ZFIBJRXORCKAPI-UHFFFAOYSA-N 1 2 424.932 3.576 50 0 HHAALO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000034678061 557366024 /nfs/dbraw/zinc/36/60/24/557366024.db2.gz LHXCJIPGOCNTCW-UHFFFAOYSA-N 1 2 412.440 3.523 50 0 HHAALO Cc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)CC1 ZINC000034684178 557386856 /nfs/dbraw/zinc/38/68/56/557386856.db2.gz DKQWAFGYOUJKRU-UHFFFAOYSA-N 1 2 407.489 3.979 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1cccc(F)c1 ZINC000034855489 557476956 /nfs/dbraw/zinc/47/69/56/557476956.db2.gz GDBRGBITWYMNJD-NYHFZMIOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1cccc(F)c1 ZINC000034855489 557476958 /nfs/dbraw/zinc/47/69/58/557476958.db2.gz GDBRGBITWYMNJD-NYHFZMIOSA-N 1 2 415.509 3.650 50 0 HHAALO CCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1F ZINC000034855795 557477305 /nfs/dbraw/zinc/47/73/05/557477305.db2.gz WXJXQBWMNRPMMM-CMJOXMDJSA-N 1 2 400.494 3.857 50 0 HHAALO CCC(=O)N[C@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1F ZINC000034855795 557477306 /nfs/dbraw/zinc/47/73/06/557477306.db2.gz WXJXQBWMNRPMMM-CMJOXMDJSA-N 1 2 400.494 3.857 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccco1)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034857354 557477655 /nfs/dbraw/zinc/47/76/55/557477655.db2.gz GCLZRZLCRDHRHE-HXUWFJFHSA-N 1 2 424.472 3.965 50 0 HHAALO COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccco1)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034857354 557477656 /nfs/dbraw/zinc/47/76/56/557477656.db2.gz GCLZRZLCRDHRHE-HXUWFJFHSA-N 1 2 424.472 3.965 50 0 HHAALO CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004755823 557593710 /nfs/dbraw/zinc/59/37/10/557593710.db2.gz HQCWXFOTJRTBCM-LTGZKZEYSA-N 1 2 420.538 3.582 50 0 HHAALO CC[N@H+](CCCNC(=O)Cn1ncc2c1-c1ccccc1OC2)c1cccc(C)c1 ZINC000006802880 557722004 /nfs/dbraw/zinc/72/20/04/557722004.db2.gz ZKKGJVGBXVRCCX-UHFFFAOYSA-N 1 2 404.514 3.784 50 0 HHAALO CC[N@@H+](CCCNC(=O)Cn1ncc2c1-c1ccccc1OC2)c1cccc(C)c1 ZINC000006802880 557722007 /nfs/dbraw/zinc/72/20/07/557722007.db2.gz ZKKGJVGBXVRCCX-UHFFFAOYSA-N 1 2 404.514 3.784 50 0 HHAALO O=C(NCCCn1cc[nH+]c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000009060446 557821156 /nfs/dbraw/zinc/82/11/56/557821156.db2.gz WXRPAOCTKMQIHF-RDJZCZTQSA-N 1 2 418.423 3.560 50 0 HHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCN(c3ccccc3)CC1)S2 ZINC000022854492 557842045 /nfs/dbraw/zinc/84/20/45/557842045.db2.gz IONXQRPKLCTULL-HXUWFJFHSA-N 1 2 419.554 3.970 50 0 HHAALO Cc1ccc(C2(c3noc(CN4CC[NH+](Cc5ccccn5)CC4)n3)CCCC2)cc1 ZINC000019742054 558262534 /nfs/dbraw/zinc/26/25/34/558262534.db2.gz XHBGJLZMSGWLRI-UHFFFAOYSA-N 1 2 417.557 3.951 50 0 HHAALO O[C@H](Cn1c2ccccc2c2c1CCCC2)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019757971 558274947 /nfs/dbraw/zinc/27/49/47/558274947.db2.gz QRHHLEHVTPUDHI-QFIPXVFZSA-N 1 2 403.570 3.699 50 0 HHAALO COc1cc(-c2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)cc2c1OCO2 ZINC000019795243 558284255 /nfs/dbraw/zinc/28/42/55/558284255.db2.gz WRZPUXXJKPCQAL-INIZCTEOSA-N 1 2 424.453 3.659 50 0 HHAALO COc1cc(-c2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)cc2c1OCO2 ZINC000019795243 558284256 /nfs/dbraw/zinc/28/42/56/558284256.db2.gz WRZPUXXJKPCQAL-INIZCTEOSA-N 1 2 424.453 3.659 50 0 HHAALO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](Cc3nccs3)CC2)c1 ZINC000019939956 558314018 /nfs/dbraw/zinc/31/40/18/558314018.db2.gz VWYQTUQPOXENSO-UHFFFAOYSA-N 1 2 408.527 3.512 50 0 HHAALO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019973434 558316530 /nfs/dbraw/zinc/31/65/30/558316530.db2.gz CXMUAPSVBQJHEF-OAHLLOKOSA-N 1 2 418.946 3.894 50 0 HHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cc(Cl)ccc3n2)s1 ZINC000020407527 558360443 /nfs/dbraw/zinc/36/04/43/558360443.db2.gz PJCYENSPZYBMGZ-UHFFFAOYSA-N 1 2 415.946 3.987 50 0 HHAALO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4cc(CC(C)C)n[nH]4)CC3)on2)c1 ZINC000012305370 558374544 /nfs/dbraw/zinc/37/45/44/558374544.db2.gz QOFFCGWZSDFQLH-UHFFFAOYSA-N 1 2 424.545 3.841 50 0 HHAALO CC[C@H](C)n1c(=O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)[nH]c1=S ZINC000020622436 558394072 /nfs/dbraw/zinc/39/40/72/558394072.db2.gz DSEVQDYZZJLHMH-FVMDXXJSSA-N 1 2 404.923 3.952 50 0 HHAALO CC[C@H](C)n1c(O)c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020622436 558394074 /nfs/dbraw/zinc/39/40/74/558394074.db2.gz DSEVQDYZZJLHMH-FVMDXXJSSA-N 1 2 404.923 3.952 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)[C@@H](c2ccccc2)C1 ZINC000020783033 558413089 /nfs/dbraw/zinc/41/30/89/558413089.db2.gz VGZFBJSOAQGTFQ-XMMPIXPASA-N 1 2 411.509 3.609 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)[C@@H](c2ccccc2)C1 ZINC000020783033 558413093 /nfs/dbraw/zinc/41/30/93/558413093.db2.gz VGZFBJSOAQGTFQ-XMMPIXPASA-N 1 2 411.509 3.609 50 0 HHAALO CC(=O)c1c(-c2ccc(C)cc2)nc2n(CC[NH+]3CCOCC3)c3ccccc3n21 ZINC000020827744 558417043 /nfs/dbraw/zinc/41/70/43/558417043.db2.gz YSODIAXYVRBBKJ-UHFFFAOYSA-N 1 2 402.498 3.799 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000004341638 558425188 /nfs/dbraw/zinc/42/51/88/558425188.db2.gz BQWWIPRSBQADSL-UHFFFAOYSA-N 1 2 401.923 3.964 50 0 HHAALO Cc1csc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)n1 ZINC000004341760 558425502 /nfs/dbraw/zinc/42/55/02/558425502.db2.gz WKYODLPGSIXVSL-UHFFFAOYSA-N 1 2 410.528 3.928 50 0 HHAALO Cc1nn2c(nc(C)cc2N2CCN(c3cccc[nH+]3)CC2)c1-c1ccc(F)cc1 ZINC000021798776 558449871 /nfs/dbraw/zinc/44/98/71/558449871.db2.gz QBCLIGWRQGDPET-UHFFFAOYSA-N 1 2 402.477 3.874 50 0 HHAALO CCn1c2ccccc2nc1S[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022090060 558463193 /nfs/dbraw/zinc/46/31/93/558463193.db2.gz QCCMCEPWKTYSAS-SFHVURJKSA-N 1 2 408.571 3.881 50 0 HHAALO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012984498 558494880 /nfs/dbraw/zinc/49/48/80/558494880.db2.gz XBQOAWOFPFXAON-LLVKDONJSA-N 1 2 405.848 3.676 50 0 HHAALO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012984498 558494881 /nfs/dbraw/zinc/49/48/81/558494881.db2.gz XBQOAWOFPFXAON-LLVKDONJSA-N 1 2 405.848 3.676 50 0 HHAALO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccccc2Cl)NC(=O)N[C@@H]1c1cccs1 ZINC000013040154 558506586 /nfs/dbraw/zinc/50/65/86/558506586.db2.gz UTVOSGCGZDILPQ-KZULUSFZSA-N 1 2 419.934 3.923 50 0 HHAALO C[N@@H+](Cc1ccccc1)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000013061740 558509980 /nfs/dbraw/zinc/50/99/80/558509980.db2.gz XCCZGOGCPXHVOH-UHFFFAOYSA-N 1 2 413.521 3.852 50 0 HHAALO C[N@H+](Cc1ccccc1)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000013061740 558509983 /nfs/dbraw/zinc/50/99/83/558509983.db2.gz XCCZGOGCPXHVOH-UHFFFAOYSA-N 1 2 413.521 3.852 50 0 HHAALO Cc1cccc(NC(=O)CN2CC[NH+](CCOc3ccccc3Cl)CC2)c1C ZINC000022783318 558510251 /nfs/dbraw/zinc/51/02/51/558510251.db2.gz XHKBDXNITUGOPY-UHFFFAOYSA-N 1 2 401.938 3.592 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022943023 558527758 /nfs/dbraw/zinc/52/77/58/558527758.db2.gz ONTSNODRZMFRIS-UHFFFAOYSA-N 1 2 412.843 3.510 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000023389311 558556410 /nfs/dbraw/zinc/55/64/10/558556410.db2.gz RDSQGQABDFVACO-GOSISDBHSA-N 1 2 423.340 3.758 50 0 HHAALO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023641687 558564301 /nfs/dbraw/zinc/56/43/01/558564301.db2.gz NQPZEKUVPQTVFV-UHFFFAOYSA-N 1 2 424.932 3.671 50 0 HHAALO CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(c3nc4ccccc4s3)CC1)C2=O ZINC000023743243 558573452 /nfs/dbraw/zinc/57/34/52/558573452.db2.gz VZHKYUIXKQLAJB-UHFFFAOYSA-N 1 2 412.559 3.934 50 0 HHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000023873311 558579099 /nfs/dbraw/zinc/57/90/99/558579099.db2.gz OPSOXIOBEHZXCT-UHFFFAOYSA-N 1 2 400.522 3.967 50 0 HHAALO O=C(c1cccs1)c1ccccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023881726 558579780 /nfs/dbraw/zinc/57/97/80/558579780.db2.gz PNLGEBLLMHTSTK-UHFFFAOYSA-N 1 2 420.534 3.816 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000023882716 558580025 /nfs/dbraw/zinc/58/00/25/558580025.db2.gz XYVWHBHMCPQANO-UHFFFAOYSA-N 1 2 401.557 3.501 50 0 HHAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3nc4ccccc4s3)CC2)cc1 ZINC000023882716 558580028 /nfs/dbraw/zinc/58/00/28/558580028.db2.gz XYVWHBHMCPQANO-UHFFFAOYSA-N 1 2 401.557 3.501 50 0 HHAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013720510 558581641 /nfs/dbraw/zinc/58/16/41/558581641.db2.gz KDRCQWNFUGQXQU-UHFFFAOYSA-N 1 2 410.518 3.653 50 0 HHAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1c2ccccc2Oc2ccccc21 ZINC000024294910 558594518 /nfs/dbraw/zinc/59/45/18/558594518.db2.gz ZSVPTLLXMNUDSL-FQEVSTJZSA-N 1 2 414.505 3.941 50 0 HHAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1c2ccccc2Oc2ccccc21 ZINC000024294910 558594521 /nfs/dbraw/zinc/59/45/21/558594521.db2.gz ZSVPTLLXMNUDSL-FQEVSTJZSA-N 1 2 414.505 3.941 50 0 HHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000024336250 558595315 /nfs/dbraw/zinc/59/53/15/558595315.db2.gz LXKXNKDBDXRSCL-LJQANCHMSA-N 1 2 423.340 3.870 50 0 HHAALO Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024871234 558618323 /nfs/dbraw/zinc/61/83/23/558618323.db2.gz UWMPAVLOAFUASI-UHFFFAOYSA-N 1 2 413.485 3.813 50 0 HHAALO Cn1ncc2c1nc[nH+]c2NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000025053646 558629014 /nfs/dbraw/zinc/62/90/14/558629014.db2.gz HDBUFMCHOZNPSI-UHFFFAOYSA-N 1 2 412.497 3.765 50 0 HHAALO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000026386817 558660143 /nfs/dbraw/zinc/66/01/43/558660143.db2.gz VIXKAFMEUZDMTI-CYBMUJFWSA-N 1 2 409.317 3.785 50 0 HHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000027337334 558672057 /nfs/dbraw/zinc/67/20/57/558672057.db2.gz PUDDCEDIGIFLAP-KRWDZBQOSA-N 1 2 418.950 3.608 50 0 HHAALO Cc1c(C(=O)N2CC[NH+](C)CC2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000014975434 558689043 /nfs/dbraw/zinc/68/90/43/558689043.db2.gz PIDVXRSPYFPJPH-CYBMUJFWSA-N 1 2 401.561 3.622 50 0 HHAALO Cc1cc(NC(=O)Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)ccc1Br ZINC000028914688 558707040 /nfs/dbraw/zinc/70/70/40/558707040.db2.gz RMRWKBPYHWBQFF-CYBMUJFWSA-N 1 2 417.307 3.539 50 0 HHAALO C[C@H](Cc1ccccn1)NC(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000015068935 558711478 /nfs/dbraw/zinc/71/14/78/558711478.db2.gz MQHBGPRSMNSLFP-KOSHJBKYSA-N 1 2 419.500 3.904 50 0 HHAALO C[C@H](Cc1ccccn1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000015068935 558711480 /nfs/dbraw/zinc/71/14/80/558711480.db2.gz MQHBGPRSMNSLFP-KOSHJBKYSA-N 1 2 419.500 3.904 50 0 HHAALO Cc1ccc(-n2nc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c3c2CCC3)cc1 ZINC000029785763 558721044 /nfs/dbraw/zinc/72/10/44/558721044.db2.gz KVMRBQPKEJWTCX-HSZRJFAPSA-N 1 2 400.526 3.798 50 0 HHAALO Cc1ccc(-n2nc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c3c2CCC3)cc1 ZINC000029785763 558721046 /nfs/dbraw/zinc/72/10/46/558721046.db2.gz KVMRBQPKEJWTCX-HSZRJFAPSA-N 1 2 400.526 3.798 50 0 HHAALO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000029926750 558724008 /nfs/dbraw/zinc/72/40/08/558724008.db2.gz UGQNFMLAQRBZHA-CYBMUJFWSA-N 1 2 400.350 3.949 50 0 HHAALO COc1cc(F)c(NC(=O)[C@@H](c2cc(Br)cs2)[NH+](C)C)cc1OC ZINC000072306971 558766302 /nfs/dbraw/zinc/76/63/02/558766302.db2.gz YXVGCFXCGUGZNJ-OAHLLOKOSA-N 1 2 417.300 3.908 50 0 HHAALO CCn1nc(C)c(CNC(=O)C[N@H+]2Cc3ccccc3O[C@@H](c3ccsc3)C2)c1C ZINC000039489758 558821774 /nfs/dbraw/zinc/82/17/74/558821774.db2.gz VTOIUSKTWWBTEH-JOCHJYFZSA-N 1 2 424.570 3.833 50 0 HHAALO CCn1nc(C)c(CNC(=O)C[N@@H+]2Cc3ccccc3O[C@@H](c3ccsc3)C2)c1C ZINC000039489758 558821776 /nfs/dbraw/zinc/82/17/76/558821776.db2.gz VTOIUSKTWWBTEH-JOCHJYFZSA-N 1 2 424.570 3.833 50 0 HHAALO COc1ccccc1N1CC[NH+](CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000052541473 558860062 /nfs/dbraw/zinc/86/00/62/558860062.db2.gz SBPRIAGPYFYCRT-UHFFFAOYSA-N 1 2 422.573 3.826 50 0 in-vitro HHAALO O=C(NC1CCCCC1)[C@@H]1CCCN(c2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC000033071320 558866573 /nfs/dbraw/zinc/86/65/73/558866573.db2.gz SGCGBKCUDLOKSK-CYBMUJFWSA-N 1 2 405.340 3.991 50 0 HHAALO COc1cccc(C(=O)Nc2ccc(Nc3nc(N4CCOCC4)cc(C)[nH+]3)cc2)c1 ZINC000033078168 558867752 /nfs/dbraw/zinc/86/77/52/558867752.db2.gz FYUIQOIREAWIEZ-UHFFFAOYSA-N 1 2 419.485 3.626 50 0 HHAALO Clc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019336446 558870159 /nfs/dbraw/zinc/87/01/59/558870159.db2.gz WOWNDSJNGNSZOG-UHFFFAOYSA-N 1 2 410.905 3.777 50 0 HHAALO Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H]([NH+]4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090755 558872084 /nfs/dbraw/zinc/87/20/84/558872084.db2.gz PTSUEFBWPBOWQO-HXUWFJFHSA-N 1 2 417.557 3.607 50 0 HHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)c2ccccc2Br)CC1 ZINC000033106624 558874183 /nfs/dbraw/zinc/87/41/83/558874183.db2.gz PIKQXMTUWIQKBJ-UHFFFAOYSA-N 1 2 413.319 3.781 50 0 HHAALO Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CC[NH+](C)CC2)CCCCC3)c1 ZINC000055196285 558875613 /nfs/dbraw/zinc/87/56/13/558875613.db2.gz GBQNQTSRJPDCDK-UHFFFAOYSA-N 1 2 411.571 3.965 50 0 HHAALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)Nc1ccccc1N1CCCCC1 ZINC000057964530 558892127 /nfs/dbraw/zinc/89/21/27/558892127.db2.gz RBNOXXDZBROUBW-FQEVSTJZSA-N 1 2 414.575 3.933 50 0 HHAALO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)Cc3ccc(SC)cc3)nc(N)c21 ZINC000058161798 558905756 /nfs/dbraw/zinc/90/57/56/558905756.db2.gz KZGJLRUOFYBWOX-UHFFFAOYSA-N 1 2 400.504 3.644 50 0 HHAALO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)Cc3ccc(SC)cc3)nc(N)c21 ZINC000058161798 558905759 /nfs/dbraw/zinc/90/57/59/558905759.db2.gz KZGJLRUOFYBWOX-UHFFFAOYSA-N 1 2 400.504 3.644 50 0 HHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000058172409 558908361 /nfs/dbraw/zinc/90/83/61/558908361.db2.gz MSNXRCCBXNQODS-UHFFFAOYSA-N 1 2 410.537 3.967 50 0 HHAALO Cc1nc(C)c(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)nc(C)[nH+]3)CC2)s1 ZINC000065362942 558973924 /nfs/dbraw/zinc/97/39/24/558973924.db2.gz RNZCYNQJYUKODF-UHFFFAOYSA-N 1 2 422.558 3.873 50 0 HHAALO Cc1nc(-n2ccnc2)cc(Nc2ccc(NC(=O)COc3ccccc3)cc2)[nH+]1 ZINC000072441937 558981939 /nfs/dbraw/zinc/98/19/39/558981939.db2.gz OAWHABXIGOLXDR-UHFFFAOYSA-N 1 2 400.442 3.732 50 0 HHAALO Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)[NH+]2CCOCC2)cc1 ZINC000023105806 559009680 /nfs/dbraw/zinc/00/96/80/559009680.db2.gz UKAXXENNFWPZBD-LJQANCHMSA-N 1 2 403.320 3.561 50 0 HHAALO O=c1[nH]c(C[NH+]2CCC(c3nnc4ccccn43)CC2)nc2c3ccccc3oc21 ZINC000096955707 559015327 /nfs/dbraw/zinc/01/53/27/559015327.db2.gz DCCWVWZNZGAUIL-UHFFFAOYSA-N 1 2 400.442 3.504 50 0 HHAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(s2)c(C)ccc3C)on1 ZINC000023128096 559016301 /nfs/dbraw/zinc/01/63/01/559016301.db2.gz OBYBQEHDWBUPLW-UHFFFAOYSA-N 1 2 414.531 3.579 50 0 HHAALO NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153814 559021734 /nfs/dbraw/zinc/02/17/34/559021734.db2.gz KKGGUJAJTQVBFN-UHFFFAOYSA-N 1 2 405.523 3.587 50 0 HHAALO NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153814 559021736 /nfs/dbraw/zinc/02/17/36/559021736.db2.gz KKGGUJAJTQVBFN-UHFFFAOYSA-N 1 2 405.523 3.587 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000023157076 559022041 /nfs/dbraw/zinc/02/20/41/559022041.db2.gz LPUXTZWNWDSBQR-SJKOYZFVSA-N 1 2 402.520 3.643 50 0 HHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000023157076 559022042 /nfs/dbraw/zinc/02/20/42/559022042.db2.gz LPUXTZWNWDSBQR-SJKOYZFVSA-N 1 2 402.520 3.643 50 0 HHAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000100313990 559134034 /nfs/dbraw/zinc/13/40/34/559134034.db2.gz PEAHZXGSIHQOMP-JOCHJYFZSA-N 1 2 419.912 3.947 50 0 HHAALO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1Cl ZINC000100570044 559136722 /nfs/dbraw/zinc/13/67/22/559136722.db2.gz FTDKFVGTQUXECW-IBGZPJMESA-N 1 2 418.324 3.756 50 0 HHAALO Cn1ncc2c1nc[nH+]c2SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000011678537 559173530 /nfs/dbraw/zinc/17/35/30/559173530.db2.gz MRVGHEULMWQRDL-UHFFFAOYSA-N 1 2 406.496 3.621 50 0 HHAALO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033461960 559195383 /nfs/dbraw/zinc/19/53/83/559195383.db2.gz YGGOOACURLFNCK-TWGQIWQCSA-N 1 2 409.555 3.891 50 0 HHAALO C[C@@H](c1nnc(SCC(=O)N2CCCC2)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000005280634 560625654 /nfs/dbraw/zinc/62/56/54/560625654.db2.gz IOAVPJMVMHNFLB-INIZCTEOSA-N 1 2 417.554 3.668 50 0 HHAALO C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047838 560774107 /nfs/dbraw/zinc/77/41/07/560774107.db2.gz NBRKXIKMOAICSR-QGZVFWFLSA-N 1 2 420.488 3.741 50 0 HHAALO Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000046717395 560842832 /nfs/dbraw/zinc/84/28/32/560842832.db2.gz GAOBMPYTDBYSJD-AWEZNQCLSA-N 1 2 410.905 3.747 50 0 HHAALO O=S(=O)(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907932 568416069 /nfs/dbraw/zinc/41/60/69/568416069.db2.gz LUFBROQLIMZPCE-FQEVSTJZSA-N 1 2 416.543 3.965 50 0 HHAALO O=S(=O)(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000022907932 568416070 /nfs/dbraw/zinc/41/60/70/568416070.db2.gz LUFBROQLIMZPCE-FQEVSTJZSA-N 1 2 416.543 3.965 50 0 HHAALO C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC000048287419 568434657 /nfs/dbraw/zinc/43/46/57/568434657.db2.gz IWYRBWLYUXOJKQ-DENIHFKCSA-N 1 2 420.557 3.688 50 0 HHAALO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000048279238 568435830 /nfs/dbraw/zinc/43/58/30/568435830.db2.gz SSEGLXDAWYEFLG-UHFFFAOYSA-N 1 2 421.284 3.605 50 0 HHAALO CCCCOC(=O)c1cn(C2CC2)c2cc(N3CC[NH+](CC)CC3)c(F)cc2c1=O ZINC000051364268 568435883 /nfs/dbraw/zinc/43/58/83/568435883.db2.gz UMURLZVFTAULTF-UHFFFAOYSA-N 1 2 415.509 3.574 50 0 HHAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2F)CC1)C1CCCCC1 ZINC000049745401 568453403 /nfs/dbraw/zinc/45/34/03/568453403.db2.gz NCYJTPXNVDBYAI-HSZRJFAPSA-N 1 2 410.537 3.781 50 0 HHAALO COc1cccc(OC)c1C(=O)NC[C@@H](c1cccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000021151508 568461958 /nfs/dbraw/zinc/46/19/58/568461958.db2.gz FCUKUGXTRZFJKY-NRFANRHFSA-N 1 2 419.525 3.572 50 0 HHAALO COc1cccc(OC)c1C(=O)NC[C@@H](c1cccn1C)[N@H+]1CCc2ccccc2C1 ZINC000021151508 568461960 /nfs/dbraw/zinc/46/19/60/568461960.db2.gz FCUKUGXTRZFJKY-NRFANRHFSA-N 1 2 419.525 3.572 50 0 HHAALO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000012324508 568471806 /nfs/dbraw/zinc/47/18/06/568471806.db2.gz ABWSJCWGYKMLGQ-SNVBAGLBSA-N 1 2 421.288 3.680 50 0 HHAALO NC(=O)CCN1CC[NH+]([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041506 568473335 /nfs/dbraw/zinc/47/33/35/568473335.db2.gz OGAAPGIBCNGJKO-GOSISDBHSA-N 1 2 401.963 3.581 50 0 HHAALO O=C(c1oc2ccccc2c1COc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987884 568510526 /nfs/dbraw/zinc/51/05/26/568510526.db2.gz YNWIWVIPVDMNPX-HXUWFJFHSA-N 1 2 420.509 3.949 50 0 HHAALO Cc1ccc2[nH]c(N3CCC(C(=O)NCCc4c[nH]c5ccccc45)CC3)[nH+]c2c1 ZINC000033070764 568511046 /nfs/dbraw/zinc/51/10/46/568511046.db2.gz GXPPRROODDSFIO-UHFFFAOYSA-N 1 2 401.514 3.928 50 0 HHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NCCc4c[nH]c5ccccc45)CC3)[nH]c2c1 ZINC000033070764 568511048 /nfs/dbraw/zinc/51/10/48/568511048.db2.gz GXPPRROODDSFIO-UHFFFAOYSA-N 1 2 401.514 3.928 50 0 HHAALO O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024379073 568511330 /nfs/dbraw/zinc/51/13/30/568511330.db2.gz CZLAFEFXQDNLAO-UHFFFAOYSA-N 1 2 404.510 3.613 50 0 HHAALO C[C@]12CC[C@@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000020111447 568588592 /nfs/dbraw/zinc/58/85/92/568588592.db2.gz PAEWODTUFUTSCJ-APDHKMKFSA-N 1 2 411.542 3.740 50 0 biogenic HHAALO Cc1ccc(Nc2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000020212347 568594401 /nfs/dbraw/zinc/59/44/01/568594401.db2.gz HZTGCUHUMKJYLY-UHFFFAOYSA-N 1 2 404.514 3.657 50 0 HHAALO C[C@H](NC(=O)c1cccnc1)[C@H](c1cccs1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020288684 568597800 /nfs/dbraw/zinc/59/78/00/568597800.db2.gz XECQAFPUIUQOFF-WMZHIEFXSA-N 1 2 420.582 3.821 50 0 HHAALO Cc1ccc(C)c2c1Sc1ccc(C(=O)NCC[NH+]3CCOCC3)cc1N=C2C ZINC000020355374 568599858 /nfs/dbraw/zinc/59/98/58/568599858.db2.gz VGFGXTCIRPQBNG-UHFFFAOYSA-N 1 2 409.555 3.971 50 0 HHAALO O=Cc1ccc(OCC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000020366421 568601231 /nfs/dbraw/zinc/60/12/31/568601231.db2.gz DSWQWRREPNDACL-UHFFFAOYSA-N 1 2 413.827 3.767 50 0 HHAALO C[C@@H](Oc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000095401030 568604948 /nfs/dbraw/zinc/60/49/48/568604948.db2.gz HEDDQFVJBJKRTB-QGZVFWFLSA-N 1 2 422.447 3.739 50 0 HHAALO O=C1OCC[C@@H]1[NH+]1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000095437069 568609759 /nfs/dbraw/zinc/60/97/59/568609759.db2.gz BGNWLRDTLATSTM-KRWDZBQOSA-N 1 2 412.490 3.689 50 0 HHAALO CCOC(=O)CC[C@H](C)NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000095444841 568611692 /nfs/dbraw/zinc/61/16/92/568611692.db2.gz XWHQWWUWIYEABQ-KRWDZBQOSA-N 1 2 409.486 3.683 50 0 HHAALO COc1ccc(C(F)(F)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000225440801 568637962 /nfs/dbraw/zinc/63/79/62/568637962.db2.gz FTWALAGXIMSAEZ-SFHVURJKSA-N 1 2 406.498 3.521 50 0 HHAALO COc1ccc(C(F)(F)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000225440801 568637964 /nfs/dbraw/zinc/63/79/64/568637964.db2.gz FTWALAGXIMSAEZ-SFHVURJKSA-N 1 2 406.498 3.521 50 0 HHAALO C=C1C(N2CC[NH+](C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020900823 568649796 /nfs/dbraw/zinc/64/97/96/568649796.db2.gz RFFIPBRVRPRJEI-UHFFFAOYSA-N 1 2 401.576 3.727 50 0 HHAALO O=C(C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021162157 568674516 /nfs/dbraw/zinc/67/45/16/568674516.db2.gz IAGXCQRJUXJBJZ-UHFFFAOYSA-N 1 2 423.948 3.782 50 0 HHAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000014075137 568719514 /nfs/dbraw/zinc/71/95/14/568719514.db2.gz ZZADYVRKUFQJNG-YLJYHZDGSA-N 1 2 405.420 3.839 50 0 HHAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000014075137 568719516 /nfs/dbraw/zinc/71/95/16/568719516.db2.gz ZZADYVRKUFQJNG-YLJYHZDGSA-N 1 2 405.420 3.839 50 0 HHAALO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000012421500 568720948 /nfs/dbraw/zinc/72/09/48/568720948.db2.gz WJMYNFREVHONRP-LJQANCHMSA-N 1 2 420.594 3.795 50 0 HHAALO COc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096316871 568726055 /nfs/dbraw/zinc/72/60/55/568726055.db2.gz TVDNCEXQSXGUFQ-UHFFFAOYSA-N 1 2 422.573 3.957 50 0 HHAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)NC(C)C)CC2)cc1 ZINC000096317148 568726215 /nfs/dbraw/zinc/72/62/15/568726215.db2.gz IPNQQTHHPPHXJP-UHFFFAOYSA-N 1 2 407.562 3.802 50 0 HHAALO Cc1[nH+]c(C(C)C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1ccccc1F ZINC000096317001 568726403 /nfs/dbraw/zinc/72/64/03/568726403.db2.gz QYDNUVHSTGZFTF-UHFFFAOYSA-N 1 2 413.541 3.878 50 0 HHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4O)C3)no2)cc1 ZINC000021724699 568751275 /nfs/dbraw/zinc/75/12/75/568751275.db2.gz KWZDNMBZSJLICK-GOSISDBHSA-N 1 2 406.486 3.910 50 0 HHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4O)C3)no2)cc1 ZINC000021724699 568751277 /nfs/dbraw/zinc/75/12/77/568751277.db2.gz KWZDNMBZSJLICK-GOSISDBHSA-N 1 2 406.486 3.910 50 0 HHAALO COc1ccc([C@H](O)C[N@@H+]2CCc3c(nc(SCc4ccccc4)n3C)C2)cc1 ZINC000000994924 568760843 /nfs/dbraw/zinc/76/08/43/568760843.db2.gz NBKBDSHEYDMPBO-JOCHJYFZSA-N 1 2 409.555 3.813 50 0 HHAALO COc1ccc([C@H](O)C[N@H+]2CCc3c(nc(SCc4ccccc4)n3C)C2)cc1 ZINC000000994924 568760845 /nfs/dbraw/zinc/76/08/45/568760845.db2.gz NBKBDSHEYDMPBO-JOCHJYFZSA-N 1 2 409.555 3.813 50 0 HHAALO O=C(Nc1cc2ccccc2cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000025402657 568765692 /nfs/dbraw/zinc/76/56/92/568765692.db2.gz KRSZAFITAGJQDQ-UHFFFAOYSA-N 1 2 414.509 3.541 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000012559428 568857135 /nfs/dbraw/zinc/85/71/35/568857135.db2.gz CECHDDQOXHVWBN-LJQANCHMSA-N 1 2 407.474 3.526 50 0 HHAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012579628 568863466 /nfs/dbraw/zinc/86/34/66/568863466.db2.gz XXOVVEJURPEOJA-IBGZPJMESA-N 1 2 416.525 3.792 50 0 HHAALO C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012604204 568870705 /nfs/dbraw/zinc/87/07/05/568870705.db2.gz LAHLGKMZFGPRID-IFXJQAMLSA-N 1 2 411.893 3.503 50 0 HHAALO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000031557796 568928090 /nfs/dbraw/zinc/92/80/90/568928090.db2.gz XDURGZZLWDJFDV-FZKQIMNGSA-N 1 2 424.328 3.544 50 0 HHAALO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl ZINC000031557796 568928092 /nfs/dbraw/zinc/92/80/92/568928092.db2.gz XDURGZZLWDJFDV-FZKQIMNGSA-N 1 2 424.328 3.544 50 0 HHAALO CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)[nH+]c(-c2cccnc2)n1 ZINC000095537774 568936280 /nfs/dbraw/zinc/93/62/80/568936280.db2.gz LQPGVGSKBNXQDU-UHFFFAOYSA-N 1 2 417.513 3.509 50 0 in-vitro HHAALO CCOC(=O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)[nH+]1 ZINC000095537774 568936282 /nfs/dbraw/zinc/93/62/82/568936282.db2.gz LQPGVGSKBNXQDU-UHFFFAOYSA-N 1 2 417.513 3.509 50 0 in-vitro HHAALO O=C(NCCCn1cc[nH+]c1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000006445948 568936718 /nfs/dbraw/zinc/93/67/18/568936718.db2.gz GIVOPYHHSKYZIU-ZFWWWQNUSA-N 1 2 424.452 3.622 50 0 HHAALO C[N@@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 ZINC000004087250 568940674 /nfs/dbraw/zinc/94/06/74/568940674.db2.gz VFMYXJPXVBCHFV-UHFFFAOYSA-N 1 2 405.932 3.955 50 0 HHAALO C[N@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 ZINC000004087250 568940676 /nfs/dbraw/zinc/94/06/76/568940676.db2.gz VFMYXJPXVBCHFV-UHFFFAOYSA-N 1 2 405.932 3.955 50 0 HHAALO Cc1[nH+]c2ccccc2n1C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004091093 568942437 /nfs/dbraw/zinc/94/24/37/568942437.db2.gz HFWMMDOYAKLLLP-FQEVSTJZSA-N 1 2 421.522 3.601 50 0 HHAALO Cn1cc[nH+]c1[C@H](NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccc(F)c1 ZINC000012788394 568960646 /nfs/dbraw/zinc/96/06/46/568960646.db2.gz GOPKDZLVLWMBRQ-OAQYLSRUSA-N 1 2 419.460 3.838 50 0 HHAALO CC[N@H+](CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2)c1cccc(C)c1 ZINC000015674171 568962930 /nfs/dbraw/zinc/96/29/30/568962930.db2.gz CZNYENBPQISUIY-UHFFFAOYSA-N 1 2 404.514 3.934 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2)c1cccc(C)c1 ZINC000015674171 568962932 /nfs/dbraw/zinc/96/29/32/568962932.db2.gz CZNYENBPQISUIY-UHFFFAOYSA-N 1 2 404.514 3.934 50 0 HHAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000007976083 568963097 /nfs/dbraw/zinc/96/30/97/568963097.db2.gz FRWPDOMOJZUBBJ-UHFFFAOYSA-N 1 2 407.470 3.919 50 0 HHAALO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000007976083 568963098 /nfs/dbraw/zinc/96/30/98/568963098.db2.gz FRWPDOMOJZUBBJ-UHFFFAOYSA-N 1 2 407.470 3.919 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000008156399 568977989 /nfs/dbraw/zinc/97/79/89/568977989.db2.gz WOBSGZGQRRQQPW-HSZRJFAPSA-N 1 2 406.507 3.741 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000008156399 568977991 /nfs/dbraw/zinc/97/79/91/568977991.db2.gz WOBSGZGQRRQQPW-HSZRJFAPSA-N 1 2 406.507 3.741 50 0 HHAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008160308 568978920 /nfs/dbraw/zinc/97/89/20/568978920.db2.gz VIZUKACWSKDKON-UHFFFAOYSA-N 1 2 417.513 3.815 50 0 HHAALO CCOc1ccc(OCCn2c(C[NH+]3CCCCC3)nc3ccccc3c2=O)cc1 ZINC000008263333 568985634 /nfs/dbraw/zinc/98/56/34/568985634.db2.gz JVGLHANFNCZZBR-UHFFFAOYSA-N 1 2 407.514 3.860 50 0 HHAALO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)cc1 ZINC000008265988 568985878 /nfs/dbraw/zinc/98/58/78/568985878.db2.gz VNXFCFMQUMTOTM-MRXNPFEDSA-N 1 2 414.531 3.618 50 0 HHAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc2ccccc2c1 ZINC000008394547 568999017 /nfs/dbraw/zinc/99/90/17/568999017.db2.gz FYHDCODJVXNQFN-UHFFFAOYSA-N 1 2 400.482 3.758 50 0 HHAALO COc1ccc(CN2CC[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1C ZINC000107100173 569009258 /nfs/dbraw/zinc/00/92/58/569009258.db2.gz CXTRHKLLVOKKDK-HSZRJFAPSA-N 1 2 423.532 3.760 50 0 HHAALO COc1ccc(CN2CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1C ZINC000107100173 569009259 /nfs/dbraw/zinc/00/92/59/569009259.db2.gz CXTRHKLLVOKKDK-HSZRJFAPSA-N 1 2 423.532 3.760 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1)Nc1ccccc1 ZINC000012869021 569012461 /nfs/dbraw/zinc/01/24/61/569012461.db2.gz PIIWKYFXQVKBBW-PMACEKPBSA-N 1 2 411.933 3.663 50 0 HHAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccccc1Br ZINC000012913283 569022346 /nfs/dbraw/zinc/02/23/46/569022346.db2.gz BTIBPWBJBDKKAM-UHFFFAOYSA-N 1 2 422.367 3.502 50 0 HHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000012939788 569028337 /nfs/dbraw/zinc/02/83/37/569028337.db2.gz MRGNSJGIXOPXEM-HNNXBMFYSA-N 1 2 419.932 3.850 50 0 HHAALO COc1ccccc1-c1nc(C[NH+]2CCC(c3nc(-c4cccn4C)no3)CC2)no1 ZINC000575551697 569030459 /nfs/dbraw/zinc/03/04/59/569030459.db2.gz FKLVCBCJPOGXQI-UHFFFAOYSA-N 1 2 420.473 3.513 50 0 HHAALO OCCNc1[nH+]c2ccccc2n1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000063859766 569031879 /nfs/dbraw/zinc/03/18/79/569031879.db2.gz FSBIYSJCLHTLIJ-UHFFFAOYSA-N 1 2 413.275 3.906 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCc4ccccc4)CC3)cn2)cc1C ZINC000035403673 569035519 /nfs/dbraw/zinc/03/55/19/569035519.db2.gz HMWZYOZCWGTGJT-UHFFFAOYSA-N 1 2 400.526 3.895 50 0 HHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCc4ccccc4)CC3)cn2)cc1C ZINC000035403673 569035520 /nfs/dbraw/zinc/03/55/20/569035520.db2.gz HMWZYOZCWGTGJT-UHFFFAOYSA-N 1 2 400.526 3.895 50 0 HHAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000575621599 569038900 /nfs/dbraw/zinc/03/89/00/569038900.db2.gz ZESKHBVVGAXHRK-UHFFFAOYSA-N 1 2 402.498 3.975 50 0 HHAALO COc1cc(/C=C/C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000025329871 569047740 /nfs/dbraw/zinc/04/77/40/569047740.db2.gz NQWZIDKIORFANC-OFJXCKHESA-N 1 2 422.525 3.583 50 0 HHAALO O=C(C[NH+]1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1)Nc1ccccc1 ZINC000013000688 569049422 /nfs/dbraw/zinc/04/94/22/569049422.db2.gz YKDKSFWIQVKTOB-UHFFFAOYSA-N 1 2 417.962 3.651 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000035804749 569060534 /nfs/dbraw/zinc/06/05/34/569060534.db2.gz BLIBMJBXWOMEPO-NYHFZMIOSA-N 1 2 415.509 3.650 50 0 HHAALO CCNC(=O)N[C@@H](C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000035804749 569060535 /nfs/dbraw/zinc/06/05/35/569060535.db2.gz BLIBMJBXWOMEPO-NYHFZMIOSA-N 1 2 415.509 3.650 50 0 HHAALO CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(c2cccc[nH+]2)CC1 ZINC000064438567 569062203 /nfs/dbraw/zinc/06/22/03/569062203.db2.gz WIOZEQPIOHRGHS-UHFFFAOYSA-N 1 2 405.502 3.535 50 0 HHAALO CCOC[C@H]1CCCN1C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426387139 569072630 /nfs/dbraw/zinc/07/26/30/569072630.db2.gz SXNLXWZOFFNMEB-MRXNPFEDSA-N 1 2 403.548 3.552 50 0 HHAALO CCOC[C@H]1CCCN1C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426387139 569072631 /nfs/dbraw/zinc/07/26/31/569072631.db2.gz SXNLXWZOFFNMEB-MRXNPFEDSA-N 1 2 403.548 3.552 50 0 HHAALO COCC1(NC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CCCC1 ZINC000426412297 569072764 /nfs/dbraw/zinc/07/27/64/569072764.db2.gz OPYPGUFEFVLVJD-UHFFFAOYSA-N 1 2 403.548 3.600 50 0 HHAALO COCC1(NC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CCCC1 ZINC000426412297 569072765 /nfs/dbraw/zinc/07/27/65/569072765.db2.gz OPYPGUFEFVLVJD-UHFFFAOYSA-N 1 2 403.548 3.600 50 0 HHAALO CC[C@@H](C)N1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036026467 569079537 /nfs/dbraw/zinc/07/95/37/569079537.db2.gz HCWUSWBRRLWJEX-OFNKIYASSA-N 1 2 419.569 3.769 50 0 HHAALO CC[C@@H](C)CN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000036032678 569080007 /nfs/dbraw/zinc/08/00/07/569080007.db2.gz JDLLLHPYHJAYIY-NQIIRXRSSA-N 1 2 415.578 3.520 50 0 HHAALO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000006652551 569081823 /nfs/dbraw/zinc/08/18/23/569081823.db2.gz SHQHGIHWRPTCQM-MRXNPFEDSA-N 1 2 402.438 3.804 50 0 HHAALO Cc1[nH+]c2cc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)ccc2n1-c1ccccc1 ZINC000006657416 569082951 /nfs/dbraw/zinc/08/29/51/569082951.db2.gz YOTYUEKKGQGFNS-UHFFFAOYSA-N 1 2 409.449 3.752 50 0 HHAALO COc1ccc(Br)cc1CNC(=O)c1cccn1-c1ccc[nH+]c1C ZINC000064839268 569105119 /nfs/dbraw/zinc/10/51/19/569105119.db2.gz BJXXKGNFVWBSBG-UHFFFAOYSA-N 1 2 400.276 3.882 50 0 HHAALO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)NC3CC3)C3CCCC3)CC2)cc1 ZINC000036252653 569119697 /nfs/dbraw/zinc/11/96/97/569119697.db2.gz AIAJKQRLFTUNFY-JOCHJYFZSA-N 1 2 411.590 3.579 50 0 HHAALO Cc1cccc(CNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000036255291 569120247 /nfs/dbraw/zinc/12/02/47/569120247.db2.gz YYCLISAKQKRVKJ-HSZRJFAPSA-N 1 2 411.590 3.504 50 0 HHAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000036351023 569147255 /nfs/dbraw/zinc/14/72/55/569147255.db2.gz ZZADYVRKUFQJNG-PXNSSMCTSA-N 1 2 405.420 3.839 50 0 HHAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000036351023 569147257 /nfs/dbraw/zinc/14/72/57/569147257.db2.gz ZZADYVRKUFQJNG-PXNSSMCTSA-N 1 2 405.420 3.839 50 0 HHAALO COCCNC(=O)c1cccc(CSc2nc(N3CCCC3)cc(C(C)C)[nH+]2)c1 ZINC000006868759 569159521 /nfs/dbraw/zinc/15/95/21/569159521.db2.gz KTCSIYNUTBEODR-UHFFFAOYSA-N 1 2 414.575 3.869 50 0 HHAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccccc1Cl)C2 ZINC000065259899 569210958 /nfs/dbraw/zinc/21/09/58/569210958.db2.gz BECSYBPXDNJEOV-QFIPXVFZSA-N 1 2 412.921 3.707 50 0 HHAALO CCOc1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065265957 569213145 /nfs/dbraw/zinc/21/31/45/569213145.db2.gz NBMCFWDDDARUDW-RUZDIDTESA-N 1 2 420.557 3.892 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCCc3cccs3)CC2)nc[nH+]1 ZINC000065274244 569215101 /nfs/dbraw/zinc/21/51/01/569215101.db2.gz WLOMPBVLMRUFLB-UHFFFAOYSA-N 1 2 401.580 3.716 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCCc3cccs3)CC2)[nH+]cn1 ZINC000065274244 569215102 /nfs/dbraw/zinc/21/51/02/569215102.db2.gz WLOMPBVLMRUFLB-UHFFFAOYSA-N 1 2 401.580 3.716 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700300 569222633 /nfs/dbraw/zinc/22/26/33/569222633.db2.gz BOYOIMRCRBFFCD-JOCHJYFZSA-N 1 2 402.560 3.552 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700300 569222634 /nfs/dbraw/zinc/22/26/34/569222634.db2.gz BOYOIMRCRBFFCD-JOCHJYFZSA-N 1 2 402.560 3.552 50 0 HHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(I)cc1 ZINC000036779253 569227992 /nfs/dbraw/zinc/22/79/92/569227992.db2.gz HGXNENPGDSHWFF-UHFFFAOYSA-N 1 2 405.239 3.842 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)c1C ZINC000007266233 569230962 /nfs/dbraw/zinc/23/09/62/569230962.db2.gz QCPCXIMYFDIZFH-HNNXBMFYSA-N 1 2 402.491 3.529 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)c1C ZINC000007266233 569230963 /nfs/dbraw/zinc/23/09/63/569230963.db2.gz QCPCXIMYFDIZFH-HNNXBMFYSA-N 1 2 402.491 3.529 50 0 HHAALO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000007266335 569230987 /nfs/dbraw/zinc/23/09/87/569230987.db2.gz IREPPFPNJFJYES-CQSZACIVSA-N 1 2 403.320 3.867 50 0 HHAALO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000007266335 569230988 /nfs/dbraw/zinc/23/09/88/569230988.db2.gz IREPPFPNJFJYES-CQSZACIVSA-N 1 2 403.320 3.867 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cc1 ZINC000014406243 569259905 /nfs/dbraw/zinc/25/99/05/569259905.db2.gz LUVDULMJBCNFPA-NRFANRHFSA-N 1 2 415.472 3.753 50 0 HHAALO C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000014528049 569260440 /nfs/dbraw/zinc/26/04/40/569260440.db2.gz BUXFNCCKJRZZFQ-UHFFFAOYSA-N 1 2 410.543 3.830 50 0 HHAALO C[C@H](c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016927205 569267602 /nfs/dbraw/zinc/26/76/02/569267602.db2.gz FPIHBXXKWBYNQJ-HUUCEWRRSA-N 1 2 421.998 3.894 50 0 HHAALO O=C(NCc1ccc(Cl)c(Cl)c1)C1=NO[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000066089009 569314414 /nfs/dbraw/zinc/31/44/14/569314414.db2.gz QVHJFGYCDFSOLM-GFCCVEGCSA-N 1 2 403.269 3.874 50 0 HHAALO Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CC[NH+](C)CC2)CC[C@@H](C)C3)c1 ZINC000055196053 569393385 /nfs/dbraw/zinc/39/33/85/569393385.db2.gz UIVUNPCCCJCGRQ-MRXNPFEDSA-N 1 2 411.571 3.821 50 0 HHAALO Cc1cc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1OC(C)C ZINC000078948054 569422040 /nfs/dbraw/zinc/42/20/40/569422040.db2.gz CBUDPYSIQFLYFZ-HXUWFJFHSA-N 1 2 420.513 3.554 50 0 HHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000008826247 571122151 /nfs/dbraw/zinc/12/21/51/571122151.db2.gz TWGPRRVVIQDILT-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000008826247 571122153 /nfs/dbraw/zinc/12/21/53/571122153.db2.gz TWGPRRVVIQDILT-IBGZPJMESA-N 1 2 420.517 3.860 50 0 HHAALO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000040024622 571139933 /nfs/dbraw/zinc/13/99/33/571139933.db2.gz LBCOZHYSCSJTRJ-LJQANCHMSA-N 1 2 423.469 3.766 50 0 HHAALO COc1ccc(OCc2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000040024622 571139934 /nfs/dbraw/zinc/13/99/34/571139934.db2.gz LBCOZHYSCSJTRJ-LJQANCHMSA-N 1 2 423.469 3.766 50 0 HHAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000040058041 571146083 /nfs/dbraw/zinc/14/60/83/571146083.db2.gz PSKMPSSVWDXAFA-DNVCBOLYSA-N 1 2 415.515 3.658 50 0 HHAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2cccs2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000040058041 571146085 /nfs/dbraw/zinc/14/60/85/571146085.db2.gz PSKMPSSVWDXAFA-DNVCBOLYSA-N 1 2 415.515 3.658 50 0 HHAALO C[C@@H](NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000040086093 571156778 /nfs/dbraw/zinc/15/67/78/571156778.db2.gz XGNFTRCZUGTSSX-CJAUYULYSA-N 1 2 417.509 3.542 50 0 HHAALO C[C@@H](NC(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000040086093 571156780 /nfs/dbraw/zinc/15/67/80/571156780.db2.gz XGNFTRCZUGTSSX-CJAUYULYSA-N 1 2 417.509 3.542 50 0 HHAALO Cc1cc(N2CCN(C(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000040119579 571175920 /nfs/dbraw/zinc/17/59/20/571175920.db2.gz VWEJYCSYWFBNCS-UHFFFAOYSA-N 1 2 422.558 3.719 50 0 HHAALO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 ZINC000040149539 571196936 /nfs/dbraw/zinc/19/69/36/571196936.db2.gz KEEPJKZBABXXLO-HSZRJFAPSA-N 1 2 419.481 3.612 50 0 HHAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)o1 ZINC000008988483 571206198 /nfs/dbraw/zinc/20/61/98/571206198.db2.gz QKPZCIIIKGRRQX-UHFFFAOYSA-N 1 2 421.453 3.640 50 0 HHAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)o1 ZINC000008988483 571206199 /nfs/dbraw/zinc/20/61/99/571206199.db2.gz QKPZCIIIKGRRQX-UHFFFAOYSA-N 1 2 421.453 3.640 50 0 HHAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1c[nH+]c[nH]1)occ3C(C)(C)C ZINC000008992848 571207801 /nfs/dbraw/zinc/20/78/01/571207801.db2.gz LPFUNPJNQXHSAF-UHFFFAOYSA-N 1 2 407.470 3.770 50 0 HHAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCc1c[nH]c[nH+]1)occ3C(C)(C)C ZINC000008992848 571207803 /nfs/dbraw/zinc/20/78/03/571207803.db2.gz LPFUNPJNQXHSAF-UHFFFAOYSA-N 1 2 407.470 3.770 50 0 HHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1cc(Br)cs1 ZINC000244970241 571211242 /nfs/dbraw/zinc/21/12/42/571211242.db2.gz HOXHNNBPIFTYSB-GFCCVEGCSA-N 1 2 401.351 3.624 50 0 HHAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000009572459 571269101 /nfs/dbraw/zinc/26/91/01/571269101.db2.gz GBKYCHUWJQCMEW-UHFFFAOYSA-N 1 2 401.467 3.900 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009609407 571273538 /nfs/dbraw/zinc/27/35/38/571273538.db2.gz AVDGUYVIGAAESH-IBGZPJMESA-N 1 2 410.524 3.565 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009609407 571273539 /nfs/dbraw/zinc/27/35/39/571273539.db2.gz AVDGUYVIGAAESH-IBGZPJMESA-N 1 2 410.524 3.565 50 0 HHAALO C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872874 571289109 /nfs/dbraw/zinc/28/91/09/571289109.db2.gz CKFZNCNNBYMQIU-MJGOQNOKSA-N 1 2 413.591 3.650 50 0 HHAALO O=C(Cc1csc(-c2ccccc2)n1)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000071853541 571303619 /nfs/dbraw/zinc/30/36/19/571303619.db2.gz KAUOGQUZYMLKEW-UHFFFAOYSA-N 1 2 417.538 3.968 50 0 HHAALO Cn1cc(-c2ccc(-c3c[nH+]cc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000212373586 571315323 /nfs/dbraw/zinc/31/53/23/571315323.db2.gz LBFYQISQYCGDDW-UHFFFAOYSA-N 1 2 421.932 3.909 50 0 in-vitro HHAALO C[N@H+](CCCC1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000012205081 962253717 /nfs/dbraw/zinc/25/37/17/962253717.db2.gz RNBNIVPNHKETJX-NRFANRHFSA-N 1 2 423.623 3.648 50 0 HHAALO C[N@@H+](CCCC1CCCC1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000012205081 962253726 /nfs/dbraw/zinc/25/37/26/962253726.db2.gz RNBNIVPNHKETJX-NRFANRHFSA-N 1 2 423.623 3.648 50 0 HHAALO O=C(/C=C/c1cccc(F)c1)N1CCC(Oc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000015071685 962648082 /nfs/dbraw/zinc/64/80/82/962648082.db2.gz GZNKZDOARQKSAT-BQYQJAHWSA-N 1 2 424.516 3.741 50 0 HHAALO COc1ccc(-c2coc3cc(OC(=O)[C@H]([NH3+])Cc4ccccc4)ccc3c2=O)cc1 ZINC000022589085 963682339 /nfs/dbraw/zinc/68/23/39/963682339.db2.gz QCFHTTMYZNYKII-JOCHJYFZSA-N 1 2 415.445 3.944 50 0 HHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1C ZINC000096675055 969050181 /nfs/dbraw/zinc/05/01/81/969050181.db2.gz BFLLWPHEMIXHOU-DBBZSVRUSA-N 1 2 423.557 3.710 50 0 HHAALO Cc1cccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)[nH+]1 ZINC000105320882 969230217 /nfs/dbraw/zinc/23/02/17/969230217.db2.gz JKUDZQXCXDXROM-UNOMPAQXSA-N 1 2 413.433 3.754 50 0 HHAALO O=C(c1cc(Cl)ccc1F)N1C[C@H](COc2cc[nH+]cc2)C2(C1)CCOCC2 ZINC000257175342 970615667 /nfs/dbraw/zinc/61/56/67/970615667.db2.gz OPRVLQCMVMWTRG-OAHLLOKOSA-N 1 2 404.869 3.822 50 0 HHAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000004980754 132297627 /nfs/dbraw/zinc/29/76/27/132297627.db2.gz GBKHQRIPFHIPDL-SFHVURJKSA-N 1 2 414.513 3.848 50 0 HHAALO Cc1ccc(C(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3ccccc3)CC2)cc1 ZINC000006204285 132309672 /nfs/dbraw/zinc/30/96/72/132309672.db2.gz HMSLMXBBIMGJJJ-UHFFFAOYSA-N 1 2 400.526 3.955 50 0 HHAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000008325351 132329612 /nfs/dbraw/zinc/32/96/12/132329612.db2.gz APNGIHVBYYHEKV-QHCPKHFHSA-N 1 2 403.507 3.681 50 0 HHAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000008325351 132329613 /nfs/dbraw/zinc/32/96/13/132329613.db2.gz APNGIHVBYYHEKV-QHCPKHFHSA-N 1 2 403.507 3.681 50 0 HHAALO C[C@H]1CCc2nc3ccccc3c(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c2C1 ZINC000011153907 132347773 /nfs/dbraw/zinc/34/77/73/132347773.db2.gz IIZJMZNKMQSEJD-KRWDZBQOSA-N 1 2 416.525 3.521 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(N(C(C)=O)c3ccccc3F)n2)C1 ZINC000032819324 521116791 /nfs/dbraw/zinc/11/67/91/521116791.db2.gz NQPGGNQNWMGSAL-OAHLLOKOSA-N 1 2 405.495 3.742 50 0 HHAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(N(C(C)=O)c3ccccc3F)n2)C1 ZINC000032819324 521116800 /nfs/dbraw/zinc/11/68/00/521116800.db2.gz NQPGGNQNWMGSAL-OAHLLOKOSA-N 1 2 405.495 3.742 50 0 HHAALO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000044225499 522068995 /nfs/dbraw/zinc/06/89/95/522068995.db2.gz QCGJOYDNGGCHTD-MRXNPFEDSA-N 1 2 413.827 3.716 50 0 HHAALO CCc1nn2c(ncc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397509 522711050 /nfs/dbraw/zinc/71/10/50/522711050.db2.gz XAVMZOHVXXBKNM-UHFFFAOYSA-N 1 2 418.888 3.893 50 0 HHAALO CCc1nn2c(ncc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397509 522711067 /nfs/dbraw/zinc/71/10/67/522711067.db2.gz XAVMZOHVXXBKNM-UHFFFAOYSA-N 1 2 418.888 3.893 50 0 HHAALO C[N@@H+]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)C[C@@H]1c1ccccc1 ZINC000020599000 523883600 /nfs/dbraw/zinc/88/36/00/523883600.db2.gz DNVCNQJQCLMTKO-XMMPIXPASA-N 1 2 411.509 3.609 50 0 HHAALO C[N@H+]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)C[C@@H]1c1ccccc1 ZINC000020599000 523883609 /nfs/dbraw/zinc/88/36/09/523883609.db2.gz DNVCNQJQCLMTKO-XMMPIXPASA-N 1 2 411.509 3.609 50 0 HHAALO COc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)n2Cc2ccco2)cc1OC ZINC000032855901 524008883 /nfs/dbraw/zinc/00/88/83/524008883.db2.gz YJNDOXSYYHFYIH-UHFFFAOYSA-N 1 2 419.481 3.687 50 0 HHAALO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2Cc2ccco2)cc1OC ZINC000032855901 524008889 /nfs/dbraw/zinc/00/88/89/524008889.db2.gz YJNDOXSYYHFYIH-UHFFFAOYSA-N 1 2 419.481 3.687 50 0 HHAALO CCc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)cc1 ZINC000032817826 524023880 /nfs/dbraw/zinc/02/38/80/524023880.db2.gz XQVWZPVAPAAMQD-MRXNPFEDSA-N 1 2 409.511 3.936 50 0 HHAALO COc1ccccc1[C@@H](NC(=O)NCc1coc(-c2cccs2)n1)c1[nH+]ccn1C ZINC000032802547 524738889 /nfs/dbraw/zinc/73/88/89/524738889.db2.gz ZJJZAOWQCHRIAR-GOSISDBHSA-N 1 2 423.498 3.734 50 0 HHAALO COc1ccc([C@H](CNC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)[NH+]2CCOCC2)cc1 ZINC000032193204 525355003 /nfs/dbraw/zinc/35/50/03/525355003.db2.gz LZIDHILLHHNUNM-FTLOJPLWSA-N 1 2 410.514 3.615 50 0 HHAALO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023805926 525892342 /nfs/dbraw/zinc/89/23/42/525892342.db2.gz XHZGVNWHIILEOF-DEOSSOPVSA-N 1 2 407.489 3.704 50 0 HHAALO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)C1=O ZINC000023805926 525892354 /nfs/dbraw/zinc/89/23/54/525892354.db2.gz XHZGVNWHIILEOF-DEOSSOPVSA-N 1 2 407.489 3.704 50 0 HHAALO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ncc(Cl)c(Cl)c1Cl ZINC000032827661 526314671 /nfs/dbraw/zinc/31/46/71/526314671.db2.gz DJQMHPVWAWLDSC-UHFFFAOYSA-N 1 2 413.736 3.594 50 0 HHAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccccc1OC(F)F ZINC000032511164 526772986 /nfs/dbraw/zinc/77/29/86/526772986.db2.gz FAQAEASVRVEJJR-UHFFFAOYSA-N 1 2 409.864 3.698 50 0 HHAALO Cc1sc2nc(C)nc(N3CC[NH+](CC(=O)Nc4ccc(C)cc4)CC3)c2c1C ZINC000032717225 526889453 /nfs/dbraw/zinc/88/94/53/526889453.db2.gz PPZNXXCJARGJQU-UHFFFAOYSA-N 1 2 409.559 3.686 50 0 HHAALO Cc1sc2ncn(CCC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(=O)c2c1C ZINC000032895726 526899251 /nfs/dbraw/zinc/89/92/51/526899251.db2.gz HLTUEFOWMXEURP-OAHLLOKOSA-N 1 2 421.526 3.528 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1coc(-c2cccs2)n1)c1cccc(F)c1 ZINC000032802408 527453673 /nfs/dbraw/zinc/45/36/73/527453673.db2.gz YSZUMOSAPLOJEV-KRWDZBQOSA-N 1 2 411.462 3.865 50 0 HHAALO FC(F)(F)c1cccc(C[NH+]2CCN(Cn3nc4ccccn4c3=S)CC2)c1 ZINC000032533237 527684914 /nfs/dbraw/zinc/68/49/14/527684914.db2.gz WEEWYMCGMZCRRO-UHFFFAOYSA-N 1 2 407.465 3.659 50 0 HHAALO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1)C(=O)c1ccccc1F ZINC000034691275 557371762 /nfs/dbraw/zinc/37/17/62/557371762.db2.gz JDPXCCWFZWZGDA-FQEVSTJZSA-N 1 2 402.485 3.964 50 0 HHAALO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1)C(=O)c1ccccc1F ZINC000034691275 557371766 /nfs/dbraw/zinc/37/17/66/557371766.db2.gz JDPXCCWFZWZGDA-FQEVSTJZSA-N 1 2 402.485 3.964 50 0 HHAALO Cc1c([C@@H](C)NC(=O)C2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccccc1C ZINC000019782218 558281353 /nfs/dbraw/zinc/28/13/53/558281353.db2.gz YXFOPPOYZLMLKH-LJQANCHMSA-N 1 2 410.562 3.701 50 0 HHAALO OCC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 ZINC000019792502 558283383 /nfs/dbraw/zinc/28/33/83/558283383.db2.gz LSHMMYOHQJABAR-JOCHJYFZSA-N 1 2 407.583 3.921 50 0 HHAALO OCC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1CCc1ccccc1 ZINC000019792502 558283385 /nfs/dbraw/zinc/28/33/85/558283385.db2.gz LSHMMYOHQJABAR-JOCHJYFZSA-N 1 2 407.583 3.921 50 0 HHAALO Cn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1nnc(CCCc2ccccc2)o1 ZINC000011820406 558283726 /nfs/dbraw/zinc/28/37/26/558283726.db2.gz DUMLXGIMMSTCCK-LJQANCHMSA-N 1 2 407.518 3.665 50 0 HHAALO Cc1cccn2cc(CNC(=O)CC[C@@]3(Cc4ccc(Cl)cc4)CCC(=O)N3)[nH+]c12 ZINC000011838544 558285393 /nfs/dbraw/zinc/28/53/93/558285393.db2.gz NNSVVLWVFIWASX-QHCPKHFHSA-N 1 2 424.932 3.584 50 0 HHAALO COc1ccc(-c2noc(C[N@H+](C)CCOc3ccc(C)cc3)n2)c(OC)c1OC ZINC000012001470 558308462 /nfs/dbraw/zinc/30/84/62/558308462.db2.gz GOGZUZAJCCZIJG-UHFFFAOYSA-N 1 2 413.474 3.582 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+](C)CCOc3ccc(C)cc3)n2)c(OC)c1OC ZINC000012001470 558308464 /nfs/dbraw/zinc/30/84/64/558308464.db2.gz GOGZUZAJCCZIJG-UHFFFAOYSA-N 1 2 413.474 3.582 50 0 HHAALO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)C[N@@H+](C)Cc2cccnc2)c1 ZINC000012195079 558349057 /nfs/dbraw/zinc/34/90/57/558349057.db2.gz JXTZUGFISLBNAH-JOCHJYFZSA-N 1 2 403.530 3.510 50 0 HHAALO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)C[N@H+](C)Cc2cccnc2)c1 ZINC000012195079 558349062 /nfs/dbraw/zinc/34/90/62/558349062.db2.gz JXTZUGFISLBNAH-JOCHJYFZSA-N 1 2 403.530 3.510 50 0 HHAALO CSc1nc2sc3c(c2c(SCC(=O)N2CCCCC2)n1)CC[N@H+](C)C3 ZINC000020391943 558359055 /nfs/dbraw/zinc/35/90/55/558359055.db2.gz PDFNYAOQERKEPC-UHFFFAOYSA-N 1 2 408.618 3.506 50 0 HHAALO CSc1nc2sc3c(c2c(SCC(=O)N2CCCCC2)n1)CC[N@@H+](C)C3 ZINC000020391943 558359058 /nfs/dbraw/zinc/35/90/58/558359058.db2.gz PDFNYAOQERKEPC-UHFFFAOYSA-N 1 2 408.618 3.506 50 0 HHAALO COCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020392885 558359355 /nfs/dbraw/zinc/35/93/55/558359355.db2.gz KYEXNVWOYZJWLA-UHFFFAOYSA-N 1 2 418.950 3.537 50 0 HHAALO COCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020392885 558359356 /nfs/dbraw/zinc/35/93/56/558359356.db2.gz KYEXNVWOYZJWLA-UHFFFAOYSA-N 1 2 418.950 3.537 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3c3ccccn3)n2)c(OC)c1OC ZINC000012304633 558373889 /nfs/dbraw/zinc/37/38/89/558373889.db2.gz AUGNOFRCZZDEFV-KRWDZBQOSA-N 1 2 410.474 3.885 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3c3ccccn3)n2)c(OC)c1OC ZINC000012304633 558373892 /nfs/dbraw/zinc/37/38/92/558373892.db2.gz AUGNOFRCZZDEFV-KRWDZBQOSA-N 1 2 410.474 3.885 50 0 HHAALO COc1ccc(-c2nc(CN3CC[NH+](Cc4ncccc4C)CC3)c(C)o2)cc1C ZINC000020777975 558412048 /nfs/dbraw/zinc/41/20/48/558412048.db2.gz IGWLFNOZZWSOEN-UHFFFAOYSA-N 1 2 406.530 3.988 50 0 HHAALO COC(=O)c1ccc(-c2noc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)n2)cc1 ZINC000012593384 558436657 /nfs/dbraw/zinc/43/66/57/558436657.db2.gz NZHWHZXDMIXEAL-LJQANCHMSA-N 1 2 413.499 3.530 50 0 HHAALO CCn1c2ccccc2nc1S[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022090063 558463207 /nfs/dbraw/zinc/46/32/07/558463207.db2.gz QCCMCEPWKTYSAS-GOSISDBHSA-N 1 2 408.571 3.881 50 0 HHAALO CC1CC[NH+](Cc2csc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)n2)CC1 ZINC000012792711 558466662 /nfs/dbraw/zinc/46/66/62/558466662.db2.gz WTUDAHHIQDKTBM-UHFFFAOYSA-N 1 2 412.559 3.683 50 0 HHAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012793679 558467227 /nfs/dbraw/zinc/46/72/27/558467227.db2.gz VMILOTNZEGCJFS-FQEVSTJZSA-N 1 2 412.489 3.529 50 0 HHAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012793679 558467229 /nfs/dbraw/zinc/46/72/29/558467229.db2.gz VMILOTNZEGCJFS-FQEVSTJZSA-N 1 2 412.489 3.529 50 0 HHAALO Oc1ccccc1N1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000012990631 558496542 /nfs/dbraw/zinc/49/65/42/558496542.db2.gz PXYIXUZAMRNZPC-UHFFFAOYSA-N 1 2 404.392 3.783 50 0 HHAALO COc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4ccccc43)CC2)cc1F ZINC000022799200 558512550 /nfs/dbraw/zinc/51/25/50/558512550.db2.gz OYJFBWHUCSWHHC-UHFFFAOYSA-N 1 2 407.489 3.744 50 0 HHAALO Cc1cc(C)c(CN2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000022852437 558517245 /nfs/dbraw/zinc/51/72/45/558517245.db2.gz LTVYVQZJRFFSKI-OAQYLSRUSA-N 1 2 410.587 3.619 50 0 HHAALO Cc1cc(C)c(CN2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000022852437 558517249 /nfs/dbraw/zinc/51/72/49/558517249.db2.gz LTVYVQZJRFFSKI-OAQYLSRUSA-N 1 2 410.587 3.619 50 0 HHAALO COc1cccc2c1Sc1ccc(Cl)cc1C[C@H]2[NH+]1CCN(CCO)CC1 ZINC000022865528 558517855 /nfs/dbraw/zinc/51/78/55/558517855.db2.gz XUWMGDJVYVJBHG-GOSISDBHSA-N 1 2 404.963 3.707 50 0 HHAALO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022914457 558521158 /nfs/dbraw/zinc/52/11/58/558521158.db2.gz CSGNFNJNRVVFCD-GOSISDBHSA-N 1 2 413.512 3.683 50 0 HHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000022916661 558521701 /nfs/dbraw/zinc/52/17/01/558521701.db2.gz QIDBHXJMRLWEOP-CQSZACIVSA-N 1 2 400.885 3.594 50 0 HHAALO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933571 558525524 /nfs/dbraw/zinc/52/55/24/558525524.db2.gz JFOCMELTHQWOHW-AWEZNQCLSA-N 1 2 408.365 3.655 50 0 HHAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000023846282 558577760 /nfs/dbraw/zinc/57/77/60/558577760.db2.gz PHBTYBBPMFTJOR-HXUWFJFHSA-N 1 2 400.526 3.748 50 0 HHAALO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000024208283 558592095 /nfs/dbraw/zinc/59/20/95/558592095.db2.gz NWTOURQKFIFCFT-UHFFFAOYSA-N 1 2 409.555 3.865 50 0 HHAALO COC(=O)[C@H](c1ccccc1Cl)N1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000024825847 558613930 /nfs/dbraw/zinc/61/39/30/558613930.db2.gz FXYUPQOXDIIDIU-FQEVSTJZSA-N 1 2 415.946 3.982 50 0 HHAALO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000025009582 558627154 /nfs/dbraw/zinc/62/71/54/558627154.db2.gz JPKKZSWWUDCZQQ-WWKNUYBVSA-N 1 2 421.545 3.563 50 0 HHAALO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025183259 558634221 /nfs/dbraw/zinc/63/42/21/558634221.db2.gz QRNYHKKHYWLBCY-FQEVSTJZSA-N 1 2 410.905 3.978 50 0 HHAALO CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2)C1=O ZINC000014201243 558636807 /nfs/dbraw/zinc/63/68/07/558636807.db2.gz JBIDBMVYGQHWQP-HSZRJFAPSA-N 1 2 413.493 3.731 50 0 HHAALO CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2)C1=O ZINC000014201243 558636809 /nfs/dbraw/zinc/63/68/09/558636809.db2.gz JBIDBMVYGQHWQP-HSZRJFAPSA-N 1 2 413.493 3.731 50 0 HHAALO O=C(CC(c1ccccc1)c1ccccc1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025290353 558637143 /nfs/dbraw/zinc/63/71/43/558637143.db2.gz PKPKSGIIUWCTRV-UHFFFAOYSA-N 1 2 401.510 3.757 50 0 HHAALO C[C@@H](c1nnc(SCC(=O)N2CCC(C)CC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000025313777 558637531 /nfs/dbraw/zinc/63/75/31/558637531.db2.gz BMFALZWEKRPAQZ-HNNXBMFYSA-N 1 2 421.998 3.894 50 0 HHAALO COC(=O)[C@H](c1ccccc1Cl)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000026161997 558656555 /nfs/dbraw/zinc/65/65/55/558656555.db2.gz JDVMAGOTLCRUMH-IBGZPJMESA-N 1 2 402.926 3.598 50 0 HHAALO CCN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)c1cccc2ccccc21 ZINC000027141354 558670085 /nfs/dbraw/zinc/67/00/85/558670085.db2.gz VXKGCUIMSURLEO-QFIPXVFZSA-N 1 2 405.498 3.567 50 0 HHAALO CCN(C(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)c1cccc2ccccc21 ZINC000027141354 558670087 /nfs/dbraw/zinc/67/00/87/558670087.db2.gz VXKGCUIMSURLEO-QFIPXVFZSA-N 1 2 405.498 3.567 50 0 HHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(NC(C)=O)ccc3OC)c2C1 ZINC000014793576 558673078 /nfs/dbraw/zinc/67/30/78/558673078.db2.gz ISMIQPKZDPTGFT-UHFFFAOYSA-N 1 2 418.497 3.832 50 0 HHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(NC(C)=O)ccc3OC)c2C1 ZINC000014793576 558673080 /nfs/dbraw/zinc/67/30/80/558673080.db2.gz ISMIQPKZDPTGFT-UHFFFAOYSA-N 1 2 418.497 3.832 50 0 HHAALO COc1ccc(-c2nnc([C@H](C)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)o2)cc1 ZINC000027545737 558674600 /nfs/dbraw/zinc/67/46/00/558674600.db2.gz OKHHRBWXSINVPA-KRWDZBQOSA-N 1 2 422.533 3.850 50 0 HHAALO FC(F)(F)c1cccc(C[NH+]2CCN(Cc3nc(Cc4ccccc4)no3)CC2)c1 ZINC000027721478 558680558 /nfs/dbraw/zinc/68/05/58/558680558.db2.gz WGFWWQSTHAWTDI-UHFFFAOYSA-N 1 2 416.447 3.997 50 0 HHAALO CCOc1ccccc1-c1nc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cs1 ZINC000027988858 558687780 /nfs/dbraw/zinc/68/77/80/558687780.db2.gz STDKSMPZBXQTQR-UHFFFAOYSA-N 1 2 414.556 3.834 50 0 HHAALO CCOc1ccccc1-c1nc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cs1 ZINC000027988858 558687783 /nfs/dbraw/zinc/68/77/83/558687783.db2.gz STDKSMPZBXQTQR-UHFFFAOYSA-N 1 2 414.556 3.834 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000028065375 558690576 /nfs/dbraw/zinc/69/05/76/558690576.db2.gz SMELWYAABSTMBE-JSGCOSHPSA-N 1 2 423.485 3.690 50 0 HHAALO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000028065375 558690579 /nfs/dbraw/zinc/69/05/79/558690579.db2.gz SMELWYAABSTMBE-JSGCOSHPSA-N 1 2 423.485 3.690 50 0 HHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000028075239 558690775 /nfs/dbraw/zinc/69/07/75/558690775.db2.gz CGSULVHIPZTFQV-QGZVFWFLSA-N 1 2 417.303 3.823 50 0 HHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000028075239 558690780 /nfs/dbraw/zinc/69/07/80/558690780.db2.gz CGSULVHIPZTFQV-QGZVFWFLSA-N 1 2 417.303 3.823 50 0 HHAALO c1ccc(-c2nc3c(nc(-c4ccccc4)nc3NCC[NH+]3CCOCC3)o2)cc1 ZINC000028287708 558694926 /nfs/dbraw/zinc/69/49/26/558694926.db2.gz KXHFIXRHOJNCQQ-UHFFFAOYSA-N 1 2 401.470 3.696 50 0 HHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc2c(cc1Cl)OCCO2 ZINC000029114516 558710249 /nfs/dbraw/zinc/71/02/49/558710249.db2.gz UEMXKSGVVNIJNY-AWEZNQCLSA-N 1 2 422.934 3.792 50 0 HHAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc2c(cc1Cl)OCCO2 ZINC000029114516 558710252 /nfs/dbraw/zinc/71/02/52/558710252.db2.gz UEMXKSGVVNIJNY-AWEZNQCLSA-N 1 2 422.934 3.792 50 0 HHAALO COc1cccc([C@@H](NC(=O)NCCOc2ccc(Cl)cc2)c2[nH+]ccn2C)c1 ZINC000029317572 558713229 /nfs/dbraw/zinc/71/32/29/558713229.db2.gz GAISXBBIGZYJHR-LJQANCHMSA-N 1 2 414.893 3.550 50 0 HHAALO COc1ccc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)c2[nH+]ccn2C)cc1 ZINC000016472818 558793149 /nfs/dbraw/zinc/79/31/49/558793149.db2.gz CHVCTDGUYSYVTQ-LJQANCHMSA-N 1 2 403.404 3.896 50 0 HHAALO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000036708269 558801212 /nfs/dbraw/zinc/80/12/12/558801212.db2.gz QVFRAROTHOSVDT-UHFFFAOYSA-N 1 2 418.904 3.614 50 0 HHAALO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000036708269 558801214 /nfs/dbraw/zinc/80/12/14/558801214.db2.gz QVFRAROTHOSVDT-UHFFFAOYSA-N 1 2 418.904 3.614 50 0 HHAALO O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528205 558812010 /nfs/dbraw/zinc/81/20/10/558812010.db2.gz PKBBSRMCCXPQJY-UHFFFAOYSA-N 1 2 413.525 3.706 50 0 HHAALO O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528205 558812013 /nfs/dbraw/zinc/81/20/13/558812013.db2.gz PKBBSRMCCXPQJY-UHFFFAOYSA-N 1 2 413.525 3.706 50 0 HHAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1 ZINC000033078171 558867770 /nfs/dbraw/zinc/86/77/70/558867770.db2.gz WSLJKRAKGQHLPJ-UHFFFAOYSA-N 1 2 401.467 3.535 50 0 HHAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1 ZINC000055360991 558880210 /nfs/dbraw/zinc/88/02/10/558880210.db2.gz HCUDQIBUWHLRQW-NRFANRHFSA-N 1 2 409.461 3.824 50 0 HHAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2F)nc1-c1ccc(OC)cc1 ZINC000055360991 558880212 /nfs/dbraw/zinc/88/02/12/558880212.db2.gz HCUDQIBUWHLRQW-NRFANRHFSA-N 1 2 409.461 3.824 50 0 HHAALO O=C(c1nc2ccc(Cl)cn2c1C[N@@H+]1CCCOCC1)N1CCCCCCC1 ZINC000071749265 558908624 /nfs/dbraw/zinc/90/86/24/558908624.db2.gz CXEBMOWOTVAYHI-UHFFFAOYSA-N 1 2 404.942 3.616 50 0 HHAALO O=C(c1nc2ccc(Cl)cn2c1C[N@H+]1CCCOCC1)N1CCCCCCC1 ZINC000071749265 558908626 /nfs/dbraw/zinc/90/86/26/558908626.db2.gz CXEBMOWOTVAYHI-UHFFFAOYSA-N 1 2 404.942 3.616 50 0 HHAALO CC[N@H+](CCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C)c1ccccc1 ZINC000004787805 559064271 /nfs/dbraw/zinc/06/42/71/559064271.db2.gz ZXJGPBKUCPBFKO-UHFFFAOYSA-N 1 2 416.525 3.677 50 0 HHAALO CC[N@@H+](CCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C)c1ccccc1 ZINC000004787805 559064272 /nfs/dbraw/zinc/06/42/72/559064272.db2.gz ZXJGPBKUCPBFKO-UHFFFAOYSA-N 1 2 416.525 3.677 50 0 HHAALO CC[C@H](C)c1nc(N2CCN(C(=O)N(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317104 559109818 /nfs/dbraw/zinc/10/98/18/559109818.db2.gz TZAZHWXVCGEGBM-INIZCTEOSA-N 1 2 413.541 3.832 50 0 HHAALO Cn1ncc2c1nc[nH+]c2SCc1nnc(-c2ccc(Br)s2)o1 ZINC000011685363 559177198 /nfs/dbraw/zinc/17/71/98/559177198.db2.gz PWAWKRMBDJWMNG-UHFFFAOYSA-N 1 2 409.294 3.530 50 0 HHAALO COc1cccc(C[NH+]2CCN(C(=S)Nc3ccc4c(C)cc(=O)oc4c3)CC2)c1 ZINC000050106688 559178990 /nfs/dbraw/zinc/17/89/90/559178990.db2.gz AYALHSQTILLZMN-UHFFFAOYSA-N 1 2 423.538 3.625 50 0 HHAALO Cc1ccc(NC(=O)CN2CCN(c3[nH+]ccn3-c3cccc(Cl)c3)CC2)c(C)c1 ZINC000011695783 559189055 /nfs/dbraw/zinc/18/90/55/559189055.db2.gz RAPGKCVVHOZDOU-UHFFFAOYSA-N 1 2 423.948 3.903 50 0 HHAALO CCN(Cc1ccncc1)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426604691 559274855 /nfs/dbraw/zinc/27/48/55/559274855.db2.gz YTNAGBIOYLGGQD-UHFFFAOYSA-N 1 2 410.543 3.969 50 0 HHAALO CCN(Cc1ccncc1)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426604691 559274856 /nfs/dbraw/zinc/27/48/56/559274856.db2.gz YTNAGBIOYLGGQD-UHFFFAOYSA-N 1 2 410.543 3.969 50 0 HHAALO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000061879508 560562015 /nfs/dbraw/zinc/56/20/15/560562015.db2.gz MWOJVAXYVJUMMB-MHECFPHRSA-N 1 2 405.542 3.594 50 0 HHAALO Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000206829667 560747277 /nfs/dbraw/zinc/74/72/77/560747277.db2.gz AFJUEKFHYPWJKZ-SFHVURJKSA-N 1 2 409.511 3.740 50 0 HHAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000101490525 560795893 /nfs/dbraw/zinc/79/58/93/560795893.db2.gz TWNANCVZDFVQHP-MRXNPFEDSA-N 1 2 424.353 3.505 50 0 HHAALO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000048234864 568432704 /nfs/dbraw/zinc/43/27/04/568432704.db2.gz URIIDGMGNJNRLG-IRXDYDNUSA-N 1 2 420.513 3.518 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049600777 568452504 /nfs/dbraw/zinc/45/25/04/568452504.db2.gz LIJQTRHPAPNEOK-IBGZPJMESA-N 1 2 412.493 3.656 50 0 HHAALO COc1ccc(C[NH+]2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1OC ZINC000022803834 568499825 /nfs/dbraw/zinc/49/98/25/568499825.db2.gz UGRWIIPXBDBCBU-OAHLLOKOSA-N 1 2 414.531 3.694 50 0 HHAALO O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033252369 568511910 /nfs/dbraw/zinc/51/19/10/568511910.db2.gz SAFFWXOWCUHGKR-UHFFFAOYSA-N 1 2 411.465 3.761 50 0 HHAALO Cc1ccc(C(=O)c2c[nH+]c3ccc(F)cc3c2N2CCC(C(N)=O)CC2)cc1C ZINC000020380695 568602534 /nfs/dbraw/zinc/60/25/34/568602534.db2.gz NZLLTIKMUWOAFJ-UHFFFAOYSA-N 1 2 405.473 3.923 50 0 HHAALO CC(C)c1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020502034 568619524 /nfs/dbraw/zinc/61/95/24/568619524.db2.gz PVUWCUPHZIHFTN-UHFFFAOYSA-N 1 2 420.509 3.963 50 0 HHAALO CC(C)c1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020502034 568619526 /nfs/dbraw/zinc/61/95/26/568619526.db2.gz PVUWCUPHZIHFTN-UHFFFAOYSA-N 1 2 420.509 3.963 50 0 HHAALO CC(C)(C)CC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000020614444 568637888 /nfs/dbraw/zinc/63/78/88/568637888.db2.gz ZDFWYKDCEILIDM-NRFANRHFSA-N 1 2 423.557 3.831 50 0 HHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCN1C(=S)N=NC1c1ccc(C)cc1 ZINC000225489825 568642341 /nfs/dbraw/zinc/64/23/41/568642341.db2.gz XJMDHCZRXIIMJX-GOSISDBHSA-N 1 2 424.574 3.903 50 0 HHAALO Cc1cc(Br)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000225543015 568649247 /nfs/dbraw/zinc/64/92/47/568649247.db2.gz 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CC1CCN(c2nc(N)c3c([nH+]2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)CC1 ZINC000670416175 568768083 /nfs/dbraw/zinc/76/80/83/568768083.db2.gz VQQCTDGYPRAAIT-AWEZNQCLSA-N 1 2 405.424 3.788 50 0 HHAALO O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000028875760 568812147 /nfs/dbraw/zinc/81/21/47/568812147.db2.gz USSUPXXGGIMDMP-QGZVFWFLSA-N 1 2 417.296 3.562 50 0 HHAALO COc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)cc1OC ZINC000005940554 568831167 /nfs/dbraw/zinc/83/11/67/568831167.db2.gz BKRSXHKQLUPBLD-UHFFFAOYSA-N 1 2 416.481 3.936 50 0 HHAALO CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000012520495 568841255 /nfs/dbraw/zinc/84/12/55/568841255.db2.gz ALBDCUFJRKERRU-QFIPXVFZSA-N 1 2 424.589 3.630 50 0 HHAALO Cc1cccn2cc(CSc3nc(CN4CCOCC4)nc4ccccc43)[nH+]c12 ZINC000012531063 568844190 /nfs/dbraw/zinc/84/41/90/568844190.db2.gz JFNBQAALHZMHPK-UHFFFAOYSA-N 1 2 405.527 3.710 50 0 HHAALO Cc1ccc(NC(=O)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)c1 ZINC000057503323 568846481 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3.762 50 0 HHAALO Cc1c(Cl)cn2c(=O)cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)nc2c1Cl ZINC000057911490 568867771 /nfs/dbraw/zinc/86/77/71/568867771.db2.gz MUHACUBZFCDWKV-UHFFFAOYSA-N 1 2 421.303 3.771 50 0 HHAALO C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012604203 568870694 /nfs/dbraw/zinc/87/06/94/568870694.db2.gz LAHLGKMZFGPRID-AUUYWEPGSA-N 1 2 411.893 3.503 50 0 HHAALO c1ccc(-c2nc3c4ccccc4nc(N4CCN(c5cccc[nH+]5)CC4)n3n2)cc1 ZINC000004034747 568879479 /nfs/dbraw/zinc/87/94/79/568879479.db2.gz BAMIMRLJAMKBIW-UHFFFAOYSA-N 1 2 407.481 3.666 50 0 HHAALO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C(N)=O)C1 ZINC000004087095 568940820 /nfs/dbraw/zinc/94/08/20/568940820.db2.gz FFAVSEPAJFZLOX-UHFFFAOYSA-N 1 2 407.495 3.880 50 0 HHAALO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2C(N)=O)C1 ZINC000004087095 568940823 /nfs/dbraw/zinc/94/08/23/568940823.db2.gz FFAVSEPAJFZLOX-UHFFFAOYSA-N 1 2 407.495 3.880 50 0 HHAALO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 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CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc([NH+]4CCC(O)CC4)cc3)nc21 ZINC000087723473 569027755 /nfs/dbraw/zinc/02/77/55/569027755.db2.gz AGLKBEPKKDHHKY-UHFFFAOYSA-N 1 2 416.485 3.515 50 0 HHAALO Cc1ccc(OCc2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000016202662 569029868 /nfs/dbraw/zinc/02/98/68/569029868.db2.gz UMCJCMKUMSREJP-UHFFFAOYSA-N 1 2 407.539 3.989 50 0 HHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3Cl)c2)CC1)NCc1ccccc1 ZINC000035404356 569035745 /nfs/dbraw/zinc/03/57/45/569035745.db2.gz DRSGSLLVVXSXLP-UHFFFAOYSA-N 1 2 406.917 3.931 50 0 HHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3Cl)c2)CC1)NCc1ccccc1 ZINC000035404356 569035746 /nfs/dbraw/zinc/03/57/46/569035746.db2.gz DRSGSLLVVXSXLP-UHFFFAOYSA-N 1 2 406.917 3.931 50 0 HHAALO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@H](C)c1cccs1 ZINC000016390204 569040903 /nfs/dbraw/zinc/04/09/03/569040903.db2.gz QIVQFUSXYYEATK-GFCCVEGCSA-N 1 2 413.465 3.693 50 0 HHAALO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@H](C)c1cccs1 ZINC000016390204 569040904 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Cc1ccccc1-n1c(=S)n(C[N@H+](C2CC2)C2CCCC2)nc1N1CCOCC1 ZINC000036391015 569166754 /nfs/dbraw/zinc/16/67/54/569166754.db2.gz XNPAKPOYFRZDSZ-UHFFFAOYSA-N 1 2 413.591 3.913 50 0 HHAALO Cc1ccccc1-n1c(=S)n(C[N@@H+](C2CC2)C2CCCC2)nc1N1CCOCC1 ZINC000036391015 569166755 /nfs/dbraw/zinc/16/67/55/569166755.db2.gz XNPAKPOYFRZDSZ-UHFFFAOYSA-N 1 2 413.591 3.913 50 0 HHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2cccc(OC)c2)cc1 ZINC000065171481 569188808 /nfs/dbraw/zinc/18/88/08/569188808.db2.gz DKOGFQRBNQPUJM-UHFFFAOYSA-N 1 2 412.511 3.861 50 0 HHAALO COc1ccc(CNC(=O)Cn2cc[nH+]c2-c2ccnc(N3CCC(C)CC3)c2)cc1 ZINC000065220593 569198085 /nfs/dbraw/zinc/19/80/85/569198085.db2.gz NTIXPIZMBQKNQU-UHFFFAOYSA-N 1 2 419.529 3.506 50 0 HHAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCCC[C@H]4C)[nH+]cn3)cn2)cc1 ZINC000065239904 569203703 /nfs/dbraw/zinc/20/37/03/569203703.db2.gz ZJKIQTZEWQNJNP-MRXNPFEDSA-N 1 2 406.490 3.692 50 0 HHAALO COc1cccc([C@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245344 569205204 /nfs/dbraw/zinc/20/52/04/569205204.db2.gz GDFKQDULDXYJQJ-ZWKOTPCHSA-N 1 2 423.561 3.934 50 0 HHAALO COc1cccc([C@H](C)NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245344 569205205 /nfs/dbraw/zinc/20/52/05/569205205.db2.gz GDFKQDULDXYJQJ-ZWKOTPCHSA-N 1 2 423.561 3.934 50 0 HHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1 ZINC000065250104 569206092 /nfs/dbraw/zinc/20/60/92/569206092.db2.gz JRTXVCUWIDGWGU-LJQANCHMSA-N 1 2 412.440 3.858 50 0 HHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccc(F)cc1 ZINC000065250104 569206093 /nfs/dbraw/zinc/20/60/93/569206093.db2.gz JRTXVCUWIDGWGU-LJQANCHMSA-N 1 2 412.440 3.858 50 0 HHAALO O=C(C[C@H](c1ccsc1)n1cccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000524735716 569214351 /nfs/dbraw/zinc/21/43/51/569214351.db2.gz TZWMAQYOXCGLGH-HXUWFJFHSA-N 1 2 423.538 3.602 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)cc3F)CC2)nc[nH+]1 ZINC000065274243 569215082 /nfs/dbraw/zinc/21/50/82/569215082.db2.gz MIOZUTCYVLPIMY-UHFFFAOYSA-N 1 2 417.504 3.890 50 0 HHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)cc3F)CC2)[nH+]cn1 ZINC000065274243 569215084 /nfs/dbraw/zinc/21/50/84/569215084.db2.gz MIOZUTCYVLPIMY-UHFFFAOYSA-N 1 2 417.504 3.890 50 0 HHAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)Cc1cccs1 ZINC000007289953 569231994 /nfs/dbraw/zinc/23/19/94/569231994.db2.gz GGIQRIYABPTJPE-UHFFFAOYSA-N 1 2 407.539 3.791 50 0 HHAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)Cc1cccs1 ZINC000007289953 569231995 /nfs/dbraw/zinc/23/19/95/569231995.db2.gz GGIQRIYABPTJPE-UHFFFAOYSA-N 1 2 407.539 3.791 50 0 HHAALO CN(Cc1nc2ccccc2s1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000007362332 569235518 /nfs/dbraw/zinc/23/55/18/569235518.db2.gz ZJJVADYWZGSWJU-GOSISDBHSA-N 1 2 423.538 3.863 50 0 HHAALO CN(Cc1nc2ccccc2s1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000007362332 569235520 /nfs/dbraw/zinc/23/55/20/569235520.db2.gz ZJJVADYWZGSWJU-GOSISDBHSA-N 1 2 423.538 3.863 50 0 HHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007449897 569239407 /nfs/dbraw/zinc/23/94/07/569239407.db2.gz FACKROLNQNLKIN-AWEZNQCLSA-N 1 2 402.420 3.825 50 0 HHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(F)cc1 ZINC000014403172 569259828 /nfs/dbraw/zinc/25/98/28/569259828.db2.gz ZEASRYZWQPMAFP-FQEVSTJZSA-N 1 2 410.474 3.591 50 0 HHAALO COc1ccc2[nH+]c(C)nc(NCc3ccc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2c1 ZINC000089729845 569263211 /nfs/dbraw/zinc/26/32/11/569263211.db2.gz UEUNAHRUMUEVCA-IYBDPMFKSA-N 1 2 420.513 3.808 50 0 HHAALO C[C@H](c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016927210 569267563 /nfs/dbraw/zinc/26/75/63/569267563.db2.gz FPIHBXXKWBYNQJ-LSDHHAIUSA-N 1 2 421.998 3.894 50 0 HHAALO O=C1N(C[N@@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@@H]1CCCCC[C@H]1O2 ZINC000252430647 569285381 /nfs/dbraw/zinc/28/53/81/569285381.db2.gz BVZPIBXMSLWZEV-DHIUTWEWSA-N 1 2 404.510 3.950 50 0 HHAALO O=C1N(C[N@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@@H]1CCCCC[C@H]1O2 ZINC000252430647 569285382 /nfs/dbraw/zinc/28/53/82/569285382.db2.gz BVZPIBXMSLWZEV-DHIUTWEWSA-N 1 2 404.510 3.950 50 0 HHAALO C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671566 571060712 /nfs/dbraw/zinc/06/07/12/571060712.db2.gz CMCYEGNMPWXNQA-QQFBHYJXSA-N 1 2 400.523 3.866 50 0 HHAALO COc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CNC(=O)Nc3ccccc3)n2)cc1 ZINC000040072437 571152991 /nfs/dbraw/zinc/15/29/91/571152991.db2.gz MSICEZQJLLXMJR-IBGZPJMESA-N 1 2 421.501 3.921 50 0 HHAALO COc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CNC(=O)Nc3ccccc3)n2)cc1 ZINC000040072437 571152993 /nfs/dbraw/zinc/15/29/93/571152993.db2.gz MSICEZQJLLXMJR-IBGZPJMESA-N 1 2 421.501 3.921 50 0 HHAALO CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](CC)CC1 ZINC000009265341 571243933 /nfs/dbraw/zinc/24/39/33/571243933.db2.gz GBQQNKALBBCXOR-UHFFFAOYSA-N 1 2 421.497 3.862 50 0 HHAALO CC(C)Cc1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)NC(C)C)CC2)n1 ZINC000069843077 571246621 /nfs/dbraw/zinc/24/66/21/571246621.db2.gz YUCLSIXZNBFGCT-LJQANCHMSA-N 1 2 405.587 3.843 50 0 HHAALO O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000069878308 571248069 /nfs/dbraw/zinc/24/80/69/571248069.db2.gz YKVCHWNWVFJROS-OAQYLSRUSA-N 1 2 423.565 3.697 50 0 HHAALO Cc1csc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)n1 ZINC000009517726 571265339 /nfs/dbraw/zinc/26/53/39/571265339.db2.gz DOZJFRVBNAULMP-UHFFFAOYSA-N 1 2 416.919 3.965 50 0 HHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009580065 571270382 /nfs/dbraw/zinc/27/03/82/571270382.db2.gz AGJZUAADOHBBBZ-UHFFFAOYSA-N 1 2 418.478 3.952 50 0 HHAALO