smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)CCCC(=O)[O-])n(C)n2)cc1 ZINC000008635364 291346086 /nfs/dbraw/zinc/34/60/86/291346086.db2.gz LNJWWKOPGLRVAR-NSHGMRRFSA-N -1 3 440.544 2.645 40 0 biogenic,in-vitro IFABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)Nc3cccc(O)c3)o2)cc1 ZINC000035291694 521684559 /nfs/dbraw/zinc/68/45/59/521684559.db2.gz WMSQFZFRUMHYKK-UHFFFAOYSA-N -1 3 434.499 2.935 40 0 IFABHM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000020459530 521982160 /nfs/dbraw/zinc/98/21/60/521982160.db2.gz CYEKERCYZMWDMR-UHFFFAOYSA-N -1 3 440.861 2.537 40 0 IFABHM CCc1cc(=O)[n-]c(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000012113703 523740629 /nfs/dbraw/zinc/74/06/29/523740629.db2.gz IJEDEAKVVJHTPU-UHFFFAOYSA-N -1 3 430.452 2.616 40 0 IFABHM COc1ccccc1N1CCN(CC[C@H]2CN(C(=O)C3CC3)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481499 524554766 /nfs/dbraw/zinc/55/47/66/524554766.db2.gz RDHGPTKNHUQXJR-PMACEKPBSA-N -1 3 429.561 2.557 40 0 biogenic,in-vitro IFABHM COc1ccccc1N1CCN(CC[C@H]2CN(C(=O)C3CCC3)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481508 524554960 /nfs/dbraw/zinc/55/49/60/524554960.db2.gz NXCXWTXNTVKNSY-SFTDATJTSA-N -1 3 443.588 2.947 40 0 biogenic,in-vitro IFABHM COc1ccc(C([O-])=C2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000001154087 555657890 /nfs/dbraw/zinc/65/78/90/555657890.db2.gz PRTCGQRTMLEBJQ-JTDSTZFVSA-N -1 3 438.358 2.528 40 0 IFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408593449 555959669 /nfs/dbraw/zinc/95/96/69/555959669.db2.gz NRNQAHFRMCUEGY-AWEZNQCLSA-N -1 3 426.922 2.979 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1C ZINC000408625417 555995934 /nfs/dbraw/zinc/99/59/34/555995934.db2.gz UVYRRWIKJHIWFQ-UHFFFAOYSA-N -1 3 445.585 2.865 40 0 IFABHM CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1 ZINC000408661510 556042164 /nfs/dbraw/zinc/04/21/64/556042164.db2.gz WDOCOTODRLSNPW-OAHLLOKOSA-N -1 3 443.887 2.578 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)N1CCOCC1 ZINC000408693093 556093141 /nfs/dbraw/zinc/09/31/41/556093141.db2.gz GSUYNHBDCMAPPO-UHFFFAOYSA-N -1 3 434.514 2.756 40 0 IFABHM COC(=O)C(Cc1nc2ccc(Cl)cc2[nH]c1=O)=C([O-])C(=O)Nc1cc(C)ccc1C ZINC000008653649 556196882 /nfs/dbraw/zinc/19/68/82/556196882.db2.gz BELSWYSWNHPMHA-AWEZNQCLSA-N -1 3 441.871 2.733 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000027964429 556436286 /nfs/dbraw/zinc/43/62/86/556436286.db2.gz BMYFCEUFBLUOQH-NSHDSACASA-N -1 3 431.919 2.570 40 0 IFABHM CCOC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000032109738 556530386 /nfs/dbraw/zinc/53/03/86/556530386.db2.gz PMRUOXWBOVSSJL-WDZFZDKYSA-N -1 3 433.223 2.596 40 0 IFABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828477 556620293 /nfs/dbraw/zinc/62/02/93/556620293.db2.gz YIAMWWRGSRWYIH-ZENOOKHLSA-N -1 3 425.489 2.610 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000040390555 556637308 /nfs/dbraw/zinc/63/73/08/556637308.db2.gz WLZUNKFCSNMBFW-KBPBESRZSA-N -1 3 425.489 2.612 40 0 IFABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399187 556641558 /nfs/dbraw/zinc/64/15/58/556641558.db2.gz HKIVNCHJMJXCOK-MRXNPFEDSA-N -1 3 447.451 2.755 40 0 IFABHM CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399651 556642112 /nfs/dbraw/zinc/64/21/12/556642112.db2.gz TXBHEIWOICBTND-MRXNPFEDSA-N -1 3 435.415 2.920 40 0 IFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(OC)ccc2C)CC(=O)N3)cc1 ZINC000040399955 556642617 /nfs/dbraw/zinc/64/26/17/556642617.db2.gz WDQVQUUIVASTTF-INIZCTEOSA-N -1 3 449.467 2.904 40 0 IFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400027 556643055 /nfs/dbraw/zinc/64/30/55/556643055.db2.gz LOOVQMXVGOMHDN-HNNXBMFYSA-N -1 3 449.467 2.985 40 0 IFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040400128 556643091 /nfs/dbraw/zinc/64/30/91/556643091.db2.gz KKQCXMNVRBLNSS-CYBMUJFWSA-N -1 3 449.467 2.904 40 0 IFABHM O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019014710 556691696 /nfs/dbraw/zinc/69/16/96/556691696.db2.gz NMPHDPHLWQKNGM-VQTJNVASSA-N -1 3 442.560 2.880 40 0 IFABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)CCc3cn(C)c4ccccc34)nc2C1 ZINC000019019014 556693077 /nfs/dbraw/zinc/69/30/77/556693077.db2.gz ULTHLOVXTZLIAH-JOCHJYFZSA-N -1 3 447.539 2.875 40 0 IFABHM Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)C3CC3)C4)C2)cc1 ZINC000019135694 556706054 /nfs/dbraw/zinc/70/60/54/556706054.db2.gz RPPHNTCDRIWCSO-VQIMIIECSA-N -1 3 434.540 2.905 40 0 IFABHM Cc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(N3CCOCC3)n2)c2ccccc2)cc1F ZINC000019214476 556711317 /nfs/dbraw/zinc/71/13/17/556711317.db2.gz SPZGLWNWGAPGKA-NRFANRHFSA-N -1 3 436.487 2.768 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019238672 556723813 /nfs/dbraw/zinc/72/38/13/556723813.db2.gz CCHYIZACWYYFQG-MSOLQXFVSA-N -1 3 428.558 2.541 40 0 IFABHM O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2C1 ZINC000019292849 556732450 /nfs/dbraw/zinc/73/24/50/556732450.db2.gz NQDRQZVBCCGGFX-INIZCTEOSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019293718 556733159 /nfs/dbraw/zinc/73/31/59/556733159.db2.gz IUCSBGIFYVGUEQ-JOCHJYFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019332077 556737208 /nfs/dbraw/zinc/73/72/08/556737208.db2.gz YBBJDXIDTZDEJU-HXUWFJFHSA-N -1 3 438.503 2.961 40 0 IFABHM O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339365 556739536 /nfs/dbraw/zinc/73/95/36/556739536.db2.gz LXNCMOBJHVFNOM-NRFANRHFSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019348155 556743898 /nfs/dbraw/zinc/74/38/98/556743898.db2.gz PSTQVYLDFCNKCH-HXUWFJFHSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404933 556754540 /nfs/dbraw/zinc/75/45/40/556754540.db2.gz QNNNPJSRBDCYBR-NRFANRHFSA-N -1 3 449.555 2.997 40 0 IFABHM CC(C)N1CCc2c(nc([C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[n-]c2=O)C1 ZINC000019448433 556758034 /nfs/dbraw/zinc/75/80/34/556758034.db2.gz RYEQZHLLQCVYJY-NRFANRHFSA-N -1 3 442.585 2.551 40 0 IFABHM COc1ccc(CCC(=O)N2CCC(c3nc4c(c(=O)[n-]3)CCN(C(C)C)C4)CC2)cc1 ZINC000019448474 556758101 /nfs/dbraw/zinc/75/81/01/556758101.db2.gz HRHFGDRLNRZAPA-UHFFFAOYSA-N -1 3 438.572 2.884 40 0 IFABHM C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459026 556766517 /nfs/dbraw/zinc/76/65/17/556766517.db2.gz WYUUSSLKNWGKSU-WIYYLYMNSA-N -1 3 443.551 2.843 40 0 IFABHM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019463361 556768091 /nfs/dbraw/zinc/76/80/91/556768091.db2.gz VTXAEANAAHESNQ-JLJPHGGASA-N -1 3 426.542 2.740 40 0 IFABHM C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000019497011 556769424 /nfs/dbraw/zinc/76/94/24/556769424.db2.gz RQXSZBJPPQJGGQ-CQSZACIVSA-N -1 3 439.516 2.607 40 0 IFABHM O=C(NC1CCCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325147 556771156 /nfs/dbraw/zinc/77/11/56/556771156.db2.gz IRXAJPVQERJMIH-UHFFFAOYSA-N -1 3 435.532 2.785 40 0 IFABHM CC(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001325258 556771164 /nfs/dbraw/zinc/77/11/64/556771164.db2.gz KPTZXTMJLHUETA-HNNXBMFYSA-N -1 3 428.924 2.968 40 0 IFABHM CCOc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)CC)C2 ZINC000019499136 556771234 /nfs/dbraw/zinc/77/12/34/556771234.db2.gz KOHZZYLRQOVQRY-IBGZPJMESA-N -1 3 438.528 2.831 40 0 IFABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499386 556771577 /nfs/dbraw/zinc/77/15/77/556771577.db2.gz KEVVMLYFPQQZKR-IIBYNOLFSA-N -1 3 440.544 2.742 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccccc4)C2)[n-]c3=O)cc1 ZINC000001334367 556775878 /nfs/dbraw/zinc/77/58/78/556775878.db2.gz KMGSGQSWIMVTAU-IBGZPJMESA-N -1 3 428.496 2.891 40 0 IFABHM Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)s1 ZINC000019560122 556801834 /nfs/dbraw/zinc/80/18/34/556801834.db2.gz ADSZEBGAQMNASZ-QGZVFWFLSA-N -1 3 441.557 2.505 40 0 IFABHM COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 ZINC000019561893 556803413 /nfs/dbraw/zinc/80/34/13/556803413.db2.gz HTBFQVWRRAYJTI-IBGZPJMESA-N -1 3 437.475 2.627 40 0 IFABHM CSCC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573956 556813987 /nfs/dbraw/zinc/81/39/87/556813987.db2.gz ZORDBZYVDVBDLC-WMZOPIPTSA-N -1 3 449.536 2.868 40 0 IFABHM CCCN1C(=O)C(=Cc2cc(I)c([O-])c(OCC)c2)NC1=S ZINC000409086457 556950418 /nfs/dbraw/zinc/95/04/18/556950418.db2.gz DTIAENUEUYNANR-XFFZJAGNSA-N -1 3 432.283 2.863 40 0 IFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2Cl)cc1 ZINC000020107369 556983572 /nfs/dbraw/zinc/98/35/72/556983572.db2.gz YFRSYZMANDVTMK-UHFFFAOYSA-N -1 3 435.933 2.787 40 0 IFABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000216283926 557142046 /nfs/dbraw/zinc/14/20/46/557142046.db2.gz NODJYFGNPOILNL-UHFFFAOYSA-N -1 3 442.877 2.768 40 0 IFABHM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)cc1 ZINC000010314291 557215773 /nfs/dbraw/zinc/21/57/73/557215773.db2.gz KBVQBRXJUQPTLN-UHFFFAOYSA-N -1 3 439.559 2.649 40 0 IFABHM CC(C)C(=O)N1CCc2c(nc3cc(C4CCN(CC5=CCCOC5)CC4)[n-]n3c2=O)C1 ZINC000100232753 557249945 /nfs/dbraw/zinc/24/99/45/557249945.db2.gz MQOJFLHWBKJOHW-UHFFFAOYSA-N -1 3 439.560 2.502 40 0 IFABHM Cc1cnccc1CN1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C2CC2)CC4)CC1 ZINC000100232619 557250012 /nfs/dbraw/zinc/25/00/12/557250012.db2.gz GIBBCCAMISUSNK-UHFFFAOYSA-N -1 3 446.555 2.813 40 0 IFABHM Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1)CC[C@H](C)C3 ZINC000013510578 557332333 /nfs/dbraw/zinc/33/23/33/557332333.db2.gz SCJKFMLCWDDLKT-QMMMGPOBSA-N -1 3 431.543 2.540 40 0 IFABHM CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000222921188 557403099 /nfs/dbraw/zinc/40/30/99/557403099.db2.gz YJKQHWDVLQYCBR-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM C[C@@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000223019085 557416154 /nfs/dbraw/zinc/41/61/54/557416154.db2.gz WURLUGVTSODRQT-LLVKDONJSA-N -1 3 445.360 2.961 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000223865998 557522340 /nfs/dbraw/zinc/52/23/40/557522340.db2.gz ZSACTRDMXUCMMG-UHFFFAOYSA-N -1 3 429.878 2.631 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3cccc(OC)c3)no2)c1 ZINC000223912739 557527816 /nfs/dbraw/zinc/52/78/16/557527816.db2.gz OSAFFPKHCNQABD-UHFFFAOYSA-N -1 3 437.861 2.664 40 0 IFABHM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CCCN3CCCCCC3)s2)c1 ZINC000224977631 557673737 /nfs/dbraw/zinc/67/37/37/557673737.db2.gz FHIZOUFWDJUDQM-UHFFFAOYSA-N -1 3 437.591 2.643 40 0 IFABHM COc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225387487 557717378 /nfs/dbraw/zinc/71/73/78/557717378.db2.gz ROZCGHJNLALSOW-CYBMUJFWSA-N -1 3 440.547 2.722 40 0 IFABHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000225883021 557788617 /nfs/dbraw/zinc/78/86/17/557788617.db2.gz HZRBFLVTUYOJNT-SNVBAGLBSA-N -1 3 428.536 2.579 40 0 IFABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)c2)n1 ZINC000226051059 557802761 /nfs/dbraw/zinc/80/27/61/557802761.db2.gz XLAWDJPLJJJKDP-UHFFFAOYSA-N -1 3 440.525 2.567 40 0 IFABHM O=C(C1CCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000001334685 568898004 /nfs/dbraw/zinc/89/80/04/568898004.db2.gz AONZOJJZWIFUMG-OAHLLOKOSA-N -1 3 426.908 2.722 40 0 IFABHM CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H]3CC34CCC4)[n-]c2=O)C1 ZINC000249682104 569207780 /nfs/dbraw/zinc/20/77/80/569207780.db2.gz BXAJVLVYKLQSJU-AEFFLSMTSA-N -1 3 448.589 2.522 40 0 IFABHM Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1C ZINC000138667741 569254019 /nfs/dbraw/zinc/25/40/19/569254019.db2.gz BMOQTEUWDBRASP-OAHLLOKOSA-N -1 3 443.887 2.632 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000139111226 569254753 /nfs/dbraw/zinc/25/47/53/569254753.db2.gz QAUQKLLMAGBFJF-GOEBONIOSA-N -1 3 425.489 2.612 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000139111094 569254780 /nfs/dbraw/zinc/25/47/80/569254780.db2.gz QAUQKLLMAGBFJF-GDBMZVCRSA-N -1 3 425.489 2.612 40 0 IFABHM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000210839056 569255852 /nfs/dbraw/zinc/25/58/52/569255852.db2.gz WVFHWKRBKSNQSP-OQLLNIDSSA-N -1 3 430.258 2.995 40 0 IFABHM CC(C)NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020463328 519710687 /nfs/dbraw/zinc/71/06/87/519710687.db2.gz MRMPMRXKEJDASV-OALUTQOASA-N -1 3 434.556 2.869 40 0 biogenic,in-vitro IFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000022227949 524249806 /nfs/dbraw/zinc/24/98/06/524249806.db2.gz KVIIBDHAUKVREC-UHFFFAOYSA-N -1 3 446.978 2.556 40 0 IFABHM Cc1nnc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)s1 ZINC000408544319 555792113 /nfs/dbraw/zinc/79/21/13/555792113.db2.gz GHUPIQUEUMEFEQ-UHFFFAOYSA-N -1 3 427.309 2.831 40 0 IFABHM Cc1nnc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)s1 ZINC000408544319 555792116 /nfs/dbraw/zinc/79/21/16/555792116.db2.gz GHUPIQUEUMEFEQ-UHFFFAOYSA-N -1 3 427.309 2.831 40 0 IFABHM CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)CC1 ZINC000408602118 555970940 /nfs/dbraw/zinc/97/09/40/555970940.db2.gz HURYBLMOFNESDW-UHFFFAOYSA-N -1 3 437.949 2.684 40 0 IFABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C(=O)N1CCOCC1 ZINC000408607870 555971796 /nfs/dbraw/zinc/97/17/96/555971796.db2.gz QSKBVBBKQXEGBL-ZDUSSCGKSA-N -1 3 442.896 2.906 40 0 IFABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408609535 555979663 /nfs/dbraw/zinc/97/96/63/555979663.db2.gz TYBMISZERDGYMI-OAHLLOKOSA-N -1 3 436.555 2.835 40 0 IFABHM Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1 ZINC000408654033 556031131 /nfs/dbraw/zinc/03/11/31/556031131.db2.gz JDKYISWLQUWRRX-HNNXBMFYSA-N -1 3 443.887 2.632 40 0 IFABHM CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)CC1 ZINC000408674607 556065728 /nfs/dbraw/zinc/06/57/28/556065728.db2.gz CEYZCOLVBBYWOA-UHFFFAOYSA-N -1 3 445.585 2.956 40 0 IFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675575 556068220 /nfs/dbraw/zinc/06/82/20/556068220.db2.gz JBJDPNAXLWKTRB-UHFFFAOYSA-N -1 3 426.922 2.981 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1Cl ZINC000408693415 556098877 /nfs/dbraw/zinc/09/88/77/556098877.db2.gz SSRUSBGAMUJTNV-UHFFFAOYSA-N -1 3 440.905 2.630 40 0 IFABHM COc1ccccc1[N-]S(=O)(=O)CCCCS(=O)(=O)Nc1ccccc1OC ZINC000016248147 556594196 /nfs/dbraw/zinc/59/41/96/556594196.db2.gz QCFZZDDBUHABJL-UHFFFAOYSA-N -1 3 428.532 2.668 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000016293443 556598674 /nfs/dbraw/zinc/59/86/74/556598674.db2.gz HJIIIAQHOJALJE-UHFFFAOYSA-N -1 3 439.493 2.912 40 0 IFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390321 556636885 /nfs/dbraw/zinc/63/68/85/556636885.db2.gz MKSQUBAFHWFNMZ-UONOGXRCSA-N -1 3 425.489 2.612 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000040390501 556637443 /nfs/dbraw/zinc/63/74/43/556637443.db2.gz QAUQKLLMAGBFJF-ZBFHGGJFSA-N -1 3 425.489 2.612 40 0 IFABHM COc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)c1 ZINC000040400148 556642931 /nfs/dbraw/zinc/64/29/31/556642931.db2.gz VYLZLYYMZOLZAX-CQSZACIVSA-N -1 3 449.467 2.904 40 0 IFABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400403 556643295 /nfs/dbraw/zinc/64/32/95/556643295.db2.gz JGTOPKYJTGUPEB-KRWDZBQOSA-N -1 3 446.467 2.845 40 0 IFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cc(OC)c(OC)c(OC)c1 ZINC000017333800 556675924 /nfs/dbraw/zinc/67/59/24/556675924.db2.gz SZHLIAJJZADCMB-UHFFFAOYSA-N -1 3 446.319 2.962 40 0 IFABHM O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019014712 556691878 /nfs/dbraw/zinc/69/18/78/556691878.db2.gz NMPHDPHLWQKNGM-WOJBJXKFSA-N -1 3 442.560 2.880 40 0 IFABHM COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)=O)C2 ZINC000019018937 556693055 /nfs/dbraw/zinc/69/30/55/556693055.db2.gz DPDXTGHLROWTHM-FQEVSTJZSA-N -1 3 438.528 2.782 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[n-]2)C1 ZINC000019134419 556705295 /nfs/dbraw/zinc/70/52/95/556705295.db2.gz JRVMMBRSXXXRMR-MRXNPFEDSA-N -1 3 426.498 2.739 40 0 IFABHM Cc1cccc(CN2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 ZINC000019236157 556720711 /nfs/dbraw/zinc/72/07/11/556720711.db2.gz WGVJQMHFKQDVPD-QGZVFWFLSA-N -1 3 447.514 2.800 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccn3)[n-]c(=O)c2C1 ZINC000019238684 556724156 /nfs/dbraw/zinc/72/41/56/556724156.db2.gz PPIXQIHGXFARTL-HXUWFJFHSA-N -1 3 449.580 2.999 40 0 IFABHM Cn1cc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290694 556730823 /nfs/dbraw/zinc/73/08/23/556730823.db2.gz DBBSGEXATRLORG-NRFANRHFSA-N -1 3 438.576 2.696 40 0 IFABHM O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019293543 556733248 /nfs/dbraw/zinc/73/32/48/556733248.db2.gz MXPATUUQZKXMNK-NRFANRHFSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(c1cccnc1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019337505 556738826 /nfs/dbraw/zinc/73/88/26/556738826.db2.gz BDFNVOAMHCFDCY-QGZVFWFLSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)[n-]c(=O)c2C1 ZINC000019342739 556740585 /nfs/dbraw/zinc/74/05/85/556740585.db2.gz YBWAUHVAKHFOBT-OAHLLOKOSA-N -1 3 426.542 2.536 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019342764 556740783 /nfs/dbraw/zinc/74/07/83/556740783.db2.gz PIJHWPCLTKYWFK-QGZVFWFLSA-N -1 3 440.569 2.556 40 0 IFABHM O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343584 556741369 /nfs/dbraw/zinc/74/13/69/556741369.db2.gz YDYQKKWIYDHVAE-LJQANCHMSA-N -1 3 436.541 2.547 40 0 IFABHM O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343702 556741813 /nfs/dbraw/zinc/74/18/13/556741813.db2.gz PPGZMNPLHIOMCT-LJQANCHMSA-N -1 3 436.541 2.547 40 0 IFABHM O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019347656 556743051 /nfs/dbraw/zinc/74/30/51/556743051.db2.gz DMMYJTYUUPOZKW-INIZCTEOSA-N -1 3 438.503 2.614 40 0 IFABHM O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349305 556744434 /nfs/dbraw/zinc/74/44/34/556744434.db2.gz YAFLMMLRJIBBCA-OAQYLSRUSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1 ZINC000019370665 556748018 /nfs/dbraw/zinc/74/80/18/556748018.db2.gz XICHFURBLIPHHO-NRFANRHFSA-N -1 3 443.551 2.672 40 0 IFABHM O=C(CN1Cc2ccccc2C1=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019375549 556751373 /nfs/dbraw/zinc/75/13/73/556751373.db2.gz DXMXBCISVLKGRW-UHFFFAOYSA-N -1 3 448.548 2.936 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3CCCC3)nc2C1 ZINC000019404930 556754411 /nfs/dbraw/zinc/75/44/11/556754411.db2.gz BGPHZIVTWXEYGB-HXUWFJFHSA-N -1 3 435.528 2.607 40 0 IFABHM O=C([C@@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405325 556754820 /nfs/dbraw/zinc/75/48/20/556754820.db2.gz JALPJLODKMASBQ-PZJWPPBQSA-N -1 3 433.556 2.967 40 0 IFABHM CC(C)N1CCc2c(nc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[n-]c2=O)C1 ZINC000019448435 556757974 /nfs/dbraw/zinc/75/79/74/556757974.db2.gz RYEQZHLLQCVYJY-OAQYLSRUSA-N -1 3 442.585 2.551 40 0 IFABHM CC(C)N1CCc2c(=O)[n-]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 ZINC000019448419 556757999 /nfs/dbraw/zinc/75/79/99/556757999.db2.gz XMHAIBGUFZOSGF-GOSISDBHSA-N -1 3 438.500 2.753 40 0 IFABHM CC(C)N1CCc2c(=O)[n-]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 ZINC000019448417 556758093 /nfs/dbraw/zinc/75/80/93/556758093.db2.gz XMHAIBGUFZOSGF-SFHVURJKSA-N -1 3 438.500 2.753 40 0 IFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 ZINC000019499113 556770862 /nfs/dbraw/zinc/77/08/62/556770862.db2.gz KCFVOMXHPUBFSK-IBGZPJMESA-N -1 3 426.492 2.500 40 0 IFABHM O=C(C1CCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001325205 556771088 /nfs/dbraw/zinc/77/10/88/556771088.db2.gz KNDPCSYJDNXPCQ-OAHLLOKOSA-N -1 3 426.908 2.722 40 0 IFABHM O=C(C1CCC1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001325203 556771094 /nfs/dbraw/zinc/77/10/94/556771094.db2.gz KNDPCSYJDNXPCQ-HNNXBMFYSA-N -1 3 426.908 2.722 40 0 IFABHM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499390 556771439 /nfs/dbraw/zinc/77/14/39/556771439.db2.gz LGBABQGTFJLYRI-DNVCBOLYSA-N -1 3 428.508 2.873 40 0 IFABHM CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3OC)[n-]c2=O)C1 ZINC000019501667 556773338 /nfs/dbraw/zinc/77/33/38/556773338.db2.gz CUQLHSBXLJLHKB-LJQANCHMSA-N -1 3 438.528 2.831 40 0 IFABHM CC(C)CC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000001334758 556776090 /nfs/dbraw/zinc/77/60/90/556776090.db2.gz CVOXQYBQJNBHFB-HNNXBMFYSA-N -1 3 428.924 2.968 40 0 IFABHM O=C(c1cccc(F)c1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334993 556776192 /nfs/dbraw/zinc/77/61/92/556776192.db2.gz BOHXSMMWFNPYRR-KRWDZBQOSA-N -1 3 432.459 2.722 40 0 IFABHM CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)CN(C(C)C)CC5)CC2)no1 ZINC000019522601 556779947 /nfs/dbraw/zinc/77/99/47/556779947.db2.gz LFYVXQPCDNLRJZ-UHFFFAOYSA-N -1 3 438.532 2.772 40 0 IFABHM COc1ccc(C(=O)[N-]n2c(=O)c3cc(OC)c(OC)cc3nc2C2CC2)c(OC)c1 ZINC000001365132 556790134 /nfs/dbraw/zinc/79/01/34/556790134.db2.gz JNDGRLXYMSUSQY-UHFFFAOYSA-N -1 3 425.441 2.692 40 0 IFABHM COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cc(OC)c1OC ZINC000019549525 556794401 /nfs/dbraw/zinc/79/44/01/556794401.db2.gz FIGSCXZJIZJRDU-KRWDZBQOSA-N -1 3 436.468 2.835 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388707 556809517 /nfs/dbraw/zinc/80/95/17/556809517.db2.gz BSYQFDZSVVEYNE-SOUVJXGZSA-N -1 3 439.516 2.634 40 0 IFABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019570612 556810632 /nfs/dbraw/zinc/81/06/32/556810632.db2.gz DEAZATYXWCXEQQ-IBGZPJMESA-N -1 3 445.523 2.774 40 0 IFABHM Cc1nc([C@@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[n-]c(=O)c1Cc1ccccc1 ZINC000019579252 556816917 /nfs/dbraw/zinc/81/69/17/556816917.db2.gz BYWBYFFMLVITDX-QFIPXVFZSA-N -1 3 442.519 2.989 40 0 IFABHM COc1ccc2nc(CN3CCc4c(nc(N5C[C@H](C)O[C@@H](C)C5)[n-]c4=O)C3)ccc2c1 ZINC000072335595 556908459 /nfs/dbraw/zinc/90/84/59/556908459.db2.gz MNYOAYLEVBYXGA-HOTGVXAUSA-N -1 3 435.528 2.911 40 0 IFABHM O=C(c1cccs1)N1CCc2nc(C3CCN(Cc4ccncc4)CC3)[n-]c(=O)c2C1 ZINC000072398985 556971208 /nfs/dbraw/zinc/97/12/08/556971208.db2.gz VNCXHIWPWXJSRB-UHFFFAOYSA-N -1 3 435.553 2.805 40 0 IFABHM CCn1cc(CN2CCC[C@H](c3cc(=O)[n-]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)cn1 ZINC000072399214 556971777 /nfs/dbraw/zinc/97/17/77/556971777.db2.gz FNVQZONCURVEAO-FQEVSTJZSA-N -1 3 440.592 2.728 40 0 IFABHM COC(=O)c1cc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc(C(=O)OC)c1 ZINC000020050079 556974512 /nfs/dbraw/zinc/97/45/12/556974512.db2.gz CWDPOHTVHAPFKB-UHFFFAOYSA-N -1 3 440.861 2.537 40 0 IFABHM CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)CC1 ZINC000409376532 557087547 /nfs/dbraw/zinc/08/75/47/557087547.db2.gz YVYTVZAMAWXCQZ-UHFFFAOYSA-N -1 3 431.558 2.647 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000409390133 557101332 /nfs/dbraw/zinc/10/13/32/557101332.db2.gz JOJOPOBLGVAVIJ-LJQANCHMSA-N -1 3 434.514 2.560 40 0 IFABHM Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1)CC[C@@H](C)C3 ZINC000013510574 557331967 /nfs/dbraw/zinc/33/19/67/557331967.db2.gz SCJKFMLCWDDLKT-MRVPVSSYSA-N -1 3 431.543 2.540 40 0 IFABHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)cc1OCC ZINC000223100391 557431265 /nfs/dbraw/zinc/43/12/65/557431265.db2.gz DEWHZAVHLXKDKT-LLVKDONJSA-N -1 3 428.536 2.724 40 0 IFABHM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)OC)cc3c2)cc1 ZINC000223280275 557455228 /nfs/dbraw/zinc/45/52/28/557455228.db2.gz LSQLXXWCVOUQFP-UHFFFAOYSA-N -1 3 434.495 2.614 40 0 IFABHM Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCCC2)s1 ZINC000224901935 557664840 /nfs/dbraw/zinc/66/48/40/557664840.db2.gz SNSOUGJXMXUJNB-UHFFFAOYSA-N -1 3 437.591 2.643 40 0 IFABHM CC[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225044623 557682350 /nfs/dbraw/zinc/68/23/50/557682350.db2.gz PGMHTUPYNLUNMV-INIZCTEOSA-N -1 3 437.591 2.723 40 0 IFABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCN(C)CC4)cc3)ccc21 ZINC000225851892 557785470 /nfs/dbraw/zinc/78/54/70/557785470.db2.gz KKIIRIWATZRSKL-UHFFFAOYSA-N -1 3 428.558 2.538 40 0 IFABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)c2)n1 ZINC000226089708 557805182 /nfs/dbraw/zinc/80/51/82/557805182.db2.gz FILQVRJSLZEZJA-UHFFFAOYSA-N -1 3 438.509 2.710 40 0 IFABHM O=c1[n-]c(-c2cccc(I)c2)nc2nc(Br)cnc12 ZINC000225733822 569407626 /nfs/dbraw/zinc/40/76/26/569407626.db2.gz AUKOMLBIZITXIZ-UHFFFAOYSA-N -1 3 429.015 2.747 40 0 IFABHM CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(C(=O)[O-])cc4)n3)cn2)CC1 ZINC000049155099 291343618 /nfs/dbraw/zinc/34/36/18/291343618.db2.gz ZBNFCQDXLVOEHI-FQEVSTJZSA-N -1 3 448.527 2.919 40 0 biogenic,in-vitro IFABHM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccc([O-])cc3)C=C(C)C[C@H]2O)[C@]1(O)C(C)C ZINC000035271441 519757319 /nfs/dbraw/zinc/75/73/19/519757319.db2.gz KHLABRVSJLTKHQ-QIDUPKOMSA-N -1 3 432.513 2.974 40 0 biogenic,in-vitro IFABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020461066 521899340 /nfs/dbraw/zinc/89/93/40/521899340.db2.gz ZEBXWNSDWNQZIG-UHFFFAOYSA-N -1 3 442.877 2.768 40 0 IFABHM COc1ccc(C(=O)Cc2c(CCN(C)C)cc3c(c2OC)OCO3)c(C(=O)[O-])c1OC ZINC000001531508 555702838 /nfs/dbraw/zinc/70/28/38/555702838.db2.gz DEXMFYZAHXMZNM-UHFFFAOYSA-N -1 3 445.468 2.669 40 0 endogenous,in-man IFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408598036 555956114 /nfs/dbraw/zinc/95/61/14/555956114.db2.gz ZAWOVTWCUWRTSX-LBPRGKRZSA-N -1 3 430.885 2.810 40 0 IFABHM Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000408650930 556027080 /nfs/dbraw/zinc/02/70/80/556027080.db2.gz CLBICHAOOAQNAG-HNNXBMFYSA-N -1 3 443.887 2.632 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)COC)c(C)c2)cc1 ZINC000408675004 556066447 /nfs/dbraw/zinc/06/64/47/556066447.db2.gz OPCBVGSWRXGUQX-INIZCTEOSA-N -1 3 436.530 2.724 40 0 IFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408677832 556072139 /nfs/dbraw/zinc/07/21/39/556072139.db2.gz RUSLKKJOQVFOLD-AWEZNQCLSA-N -1 3 426.922 2.979 40 0 IFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000408701635 556104866 /nfs/dbraw/zinc/10/48/66/556104866.db2.gz BIIKMVQTIJESMI-QGZVFWFLSA-N -1 3 431.514 2.609 40 0 IFABHM Cc1nc(NC(=O)CSc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)sc1C ZINC000013496164 556509051 /nfs/dbraw/zinc/50/90/51/556509051.db2.gz ZRSROTLAIBDSDD-UHFFFAOYSA-N -1 3 439.544 2.912 40 0 IFABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828479 556620391 /nfs/dbraw/zinc/62/03/91/556620391.db2.gz YIAMWWRGSRWYIH-XEZPLFJOSA-N -1 3 425.489 2.610 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000040390479 556637225 /nfs/dbraw/zinc/63/72/25/556637225.db2.gz QEJGZXVOGCBZPE-HOCLYGCPSA-N -1 3 425.489 2.612 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040390625 556637267 /nfs/dbraw/zinc/63/72/67/556637267.db2.gz YSHGITFKPHSHGR-GJZGRUSLSA-N -1 3 439.516 2.920 40 0 IFABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399183 556641528 /nfs/dbraw/zinc/64/15/28/556641528.db2.gz HGQLEYXICMPQSG-MRXNPFEDSA-N -1 3 432.440 2.536 40 0 IFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 ZINC000040399934 556642751 /nfs/dbraw/zinc/64/27/51/556642751.db2.gz ZTQARCLKVWLLGL-OAHLLOKOSA-N -1 3 449.467 2.904 40 0 IFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040400037 556643063 /nfs/dbraw/zinc/64/30/63/556643063.db2.gz ZSAWGASZUKSPRZ-OAHLLOKOSA-N -1 3 447.451 2.789 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCOCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085286 556698934 /nfs/dbraw/zinc/69/89/34/556698934.db2.gz GMTKCEXDRQSJMF-LJQANCHMSA-N -1 3 444.576 2.677 40 0 IFABHM Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(Cc3cccs3)CC4)C2)on1 ZINC000019119841 556700884 /nfs/dbraw/zinc/70/08/84/556700884.db2.gz RWXYKFGDTGNGAH-HNNXBMFYSA-N -1 3 439.541 2.706 40 0 IFABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)Cc3coc4c3ccc(C)c4C)nc2C1 ZINC000019221717 556715749 /nfs/dbraw/zinc/71/57/49/556715749.db2.gz ZBIXUPKUXQSEGQ-OAQYLSRUSA-N -1 3 448.523 2.944 40 0 IFABHM CSCC[C@@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019288658 556728874 /nfs/dbraw/zinc/72/88/74/556728874.db2.gz DNJWADSDBCKRRK-QGZVFWFLSA-N -1 3 438.557 2.668 40 0 IFABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[n-]c(=O)c2C1 ZINC000019292925 556732495 /nfs/dbraw/zinc/73/24/95/556732495.db2.gz RIZIFIBRPMCKBR-INIZCTEOSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccnc1)C2 ZINC000019337776 556739057 /nfs/dbraw/zinc/73/90/57/556739057.db2.gz HDRMLWYVKCSTPO-OAQYLSRUSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343699 556741746 /nfs/dbraw/zinc/74/17/46/556741746.db2.gz PPGZMNPLHIOMCT-IBGZPJMESA-N -1 3 436.541 2.547 40 0 IFABHM O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349301 556744285 /nfs/dbraw/zinc/74/42/85/556744285.db2.gz QAEBGLCSMOJLRU-OAQYLSRUSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349298 556744508 /nfs/dbraw/zinc/74/45/08/556744508.db2.gz QAEBGLCSMOJLRU-NRFANRHFSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3)[n-]c2=O)C1 ZINC000019368804 556746672 /nfs/dbraw/zinc/74/66/72/556746672.db2.gz ZNRMCWGMSPMDAO-NRFANRHFSA-N -1 3 443.507 2.731 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3)[n-]c2=O)C1 ZINC000019368807 556746679 /nfs/dbraw/zinc/74/66/79/556746679.db2.gz ZNRMCWGMSPMDAO-OAQYLSRUSA-N -1 3 443.507 2.731 40 0 IFABHM O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019400128 556752930 /nfs/dbraw/zinc/75/29/30/556752930.db2.gz UJYGDEHGLOCTPQ-OAQYLSRUSA-N -1 3 430.512 2.898 40 0 IFABHM O=C(CCC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404984 556754712 /nfs/dbraw/zinc/75/47/12/556754712.db2.gz RATWYQLILMRJJH-OAQYLSRUSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(CCCN1CCCC1=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019406697 556755455 /nfs/dbraw/zinc/75/54/55/556755455.db2.gz MENYRWXYYJWVRI-UHFFFAOYSA-N -1 3 428.558 2.682 40 0 IFABHM C[C@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2)c1ccccc1 ZINC000019459276 556766967 /nfs/dbraw/zinc/76/69/67/556766967.db2.gz XIEYBRVGLVUATI-HRAATJIYSA-N -1 3 434.540 2.922 40 0 IFABHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019463359 556768097 /nfs/dbraw/zinc/76/80/97/556768097.db2.gz VTXAEANAAHESNQ-UKPHBRMFSA-N -1 3 426.542 2.740 40 0 IFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 ZINC000019499114 556770911 /nfs/dbraw/zinc/77/09/11/556770911.db2.gz KCFVOMXHPUBFSK-LJQANCHMSA-N -1 3 426.492 2.500 40 0 IFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)CCc3ccccc3F)nc2C1 ZINC000019499105 556770951 /nfs/dbraw/zinc/77/09/51/556770951.db2.gz SYTOIONITOBTMB-FQEVSTJZSA-N -1 3 440.519 2.890 40 0 IFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019499100 556770958 /nfs/dbraw/zinc/77/09/58/556770958.db2.gz SVKDFPNYORVVLN-HXUWFJFHSA-N -1 3 434.540 2.850 40 0 IFABHM CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019499817 556771562 /nfs/dbraw/zinc/77/15/62/556771562.db2.gz UOQXRQHILHJIBP-LSDHHAIUSA-N -1 3 428.558 2.782 40 0 IFABHM CCCC(=O)N1CCc2nc(C3CCN(C(=O)CCc4ccccc4)CC3)[n-]c(=O)c2C1 ZINC000019501616 556772969 /nfs/dbraw/zinc/77/29/69/556772969.db2.gz ICDHXSTVNJGNMW-UHFFFAOYSA-N -1 3 436.556 2.794 40 0 IFABHM O=C(Cc1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000001334594 556775799 /nfs/dbraw/zinc/77/57/99/556775799.db2.gz RPPJAQDXJZAFCI-GOSISDBHSA-N -1 3 446.486 2.651 40 0 IFABHM O=C(Cc1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334969 556776138 /nfs/dbraw/zinc/77/61/38/556776138.db2.gz SSVOMOJICLIRKF-LJQANCHMSA-N -1 3 428.496 2.512 40 0 IFABHM Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)c1 ZINC000001334985 556776170 /nfs/dbraw/zinc/77/61/70/556776170.db2.gz NENMRUMPZZJZDM-IBGZPJMESA-N -1 3 428.496 2.891 40 0 IFABHM CCc1cc(C(=O)N2C[C@@H](c3ccc(OC)c(OC)c3)[C@H](c3cc(=O)[n-]c(C)n3)C2)on1 ZINC000019522756 556780250 /nfs/dbraw/zinc/78/02/50/556780250.db2.gz MGTGFLCTPBFGME-DLBZAZTESA-N -1 3 438.484 2.669 40 0 IFABHM CCOc1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533243 556793247 /nfs/dbraw/zinc/79/32/47/556793247.db2.gz ALUFQGJXYNNFJB-LJQANCHMSA-N -1 3 436.556 2.843 40 0 IFABHM COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)cc(OC)c1OC ZINC000019549527 556794797 /nfs/dbraw/zinc/79/47/97/556794797.db2.gz VKJFRDAMSYMBOU-QGZVFWFLSA-N -1 3 436.468 2.835 40 0 IFABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2c(C)cc(C)n(C)c2=O)cc(=O)[n-]1 ZINC000019572211 556812417 /nfs/dbraw/zinc/81/24/17/556812417.db2.gz LTCKCHCCUFDREV-IBGZPJMESA-N -1 3 431.496 2.589 40 0 IFABHM Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)CC[C@H]4NC(=O)[N-]C4=O)CC3)c2)cc1 ZINC000019691617 556847068 /nfs/dbraw/zinc/84/70/68/556847068.db2.gz RKNXOVQDSKROHN-OAQYLSRUSA-N -1 3 434.540 2.983 40 0 IFABHM COc1ccc(C2(C(=O)N3CCC[C@@H]3Cn3nnc4c3nc(C)[n-]c4=O)CCCC2)cc1 ZINC000072324967 556902509 /nfs/dbraw/zinc/90/25/09/556902509.db2.gz TZYYBNJRKOCVMW-QGZVFWFLSA-N -1 3 436.516 2.747 40 0 IFABHM C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335570 556908546 /nfs/dbraw/zinc/90/85/46/556908546.db2.gz QNUMIIOHSBFBEM-YESZJQIVSA-N -1 3 440.544 2.761 40 0 IFABHM COc1ccc(CN2CCc3nc(N4CCCCCC4)[n-]c(=O)c3C2)cc1Cn1cccn1 ZINC000072347485 556918497 /nfs/dbraw/zinc/91/84/97/556918497.db2.gz JMOLOAODNSRYHK-UHFFFAOYSA-N -1 3 448.571 2.962 40 0 IFABHM O=C(C1CC1)N1CCc2nc(C3CCN(Cc4cc(F)ccc4F)CC3)[n-]c(=O)c2C1 ZINC000072399002 556971166 /nfs/dbraw/zinc/97/11/66/556971166.db2.gz YFGMLBFUKAQKOG-UHFFFAOYSA-N -1 3 428.483 2.722 40 0 IFABHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc([C@@H]4CCCO4)o3)cc2)C1 ZINC000010970719 557226084 /nfs/dbraw/zinc/22/60/84/557226084.db2.gz LZDURJFBXFJCPQ-ZQIUZPCESA-N -1 3 434.518 2.840 40 0 IFABHM CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5cccnc5)CC4)[n-]n3c(=O)c2C1 ZINC000100232650 557250077 /nfs/dbraw/zinc/25/00/77/557250077.db2.gz RTASBVAAGVIKBJ-UHFFFAOYSA-N -1 3 434.544 2.894 40 0 IFABHM CCc1nc2sc3c(c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1)CC[C@@H](C)C3 ZINC000013510580 557332304 /nfs/dbraw/zinc/33/23/04/557332304.db2.gz RIRARBQQLDZFDF-SECBINFHSA-N -1 3 445.570 2.794 40 0 IFABHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)ccc1N1CCCC1=O ZINC000113949923 557381131 /nfs/dbraw/zinc/38/11/31/557381131.db2.gz MBKMIXZJOLNNIW-UHFFFAOYSA-N -1 3 428.558 2.674 40 0 IFABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000015359034 557461237 /nfs/dbraw/zinc/46/12/37/557461237.db2.gz GVEZSJIBVCWWQU-NSHDSACASA-N -1 3 448.360 2.901 40 0 IFABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 ZINC000223604551 557491062 /nfs/dbraw/zinc/49/10/62/557491062.db2.gz LEFGZTQCLJBJDK-UHFFFAOYSA-N -1 3 442.497 2.741 40 0 IFABHM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl ZINC000223869336 557523350 /nfs/dbraw/zinc/52/33/50/557523350.db2.gz UEBYNPIZTDPSTF-UHFFFAOYSA-N -1 3 435.889 2.725 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1N1C(=O)CCC1=O ZINC000224937751 557669081 /nfs/dbraw/zinc/66/90/81/557669081.db2.gz VLRGCLJMMJKQIP-UHFFFAOYSA-N -1 3 429.498 2.750 40 0 IFABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000225834152 557783186 /nfs/dbraw/zinc/78/31/86/557783186.db2.gz IMFZZNRGFLXVBW-GFCCVEGCSA-N -1 3 428.536 2.579 40 0 IFABHM CN1C(=O)COc2ccccc2C/C=C/C[C@@H]2[C@H]1CCCN2C(=O)c1ccc2n[n-]nc2c1 ZINC000257267250 568696390 /nfs/dbraw/zinc/69/63/90/568696390.db2.gz MGNVLYCDGWANAW-JAEHEIJGSA-N -1 3 445.523 2.971 40 0 IFABHM CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(=O)[n-]c(N)n1 ZINC000257320035 568719923 /nfs/dbraw/zinc/71/99/23/568719923.db2.gz VVBIULWBPABYNR-IKVZYYAVSA-N -1 3 449.555 2.770 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1 ZINC000257325906 568722870 /nfs/dbraw/zinc/72/28/70/568722870.db2.gz WUYLKTIYWHXMMN-UHFFFAOYSA-N -1 3 426.502 2.587 40 0 IFABHM CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CN4CCC(C)CC4)CCO3)n2)s1 ZINC000257335965 568726755 /nfs/dbraw/zinc/72/67/55/568726755.db2.gz YMPLWGLRCHNXHY-KRWDZBQOSA-N -1 3 430.578 2.871 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253564240 569208802 /nfs/dbraw/zinc/20/88/02/569208802.db2.gz GHGHXLOTDDQLCQ-KGLIPLIRSA-N -1 3 425.489 2.943 40 0 IFABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)cc1 ZINC000059816873 569249731 /nfs/dbraw/zinc/24/97/31/569249731.db2.gz AUGWQUXFVSSKIN-XJKCOSOUSA-N -1 3 425.489 2.610 40 0 IFABHM COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408561468 555903882 /nfs/dbraw/zinc/90/38/82/555903882.db2.gz SVMKJSVDAVYMCE-UHFFFAOYSA-N -1 3 432.420 2.648 40 0 IFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408591402 555955242 /nfs/dbraw/zinc/95/52/42/555955242.db2.gz MARIEDVRUJKFDP-UHFFFAOYSA-N -1 3 430.885 2.811 40 0 IFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408597077 555964705 /nfs/dbraw/zinc/96/47/05/555964705.db2.gz WEXVAYWLZYYKIF-UHFFFAOYSA-N -1 3 426.922 2.981 40 0 IFABHM COc1ccc(OC)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000408616551 555987675 /nfs/dbraw/zinc/98/76/75/555987675.db2.gz AGBIHBRIXNIQGE-NSHDSACASA-N -1 3 428.894 2.671 40 0 IFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408636032 556013735 /nfs/dbraw/zinc/01/37/35/556013735.db2.gz KRSPPGCPEOTOBO-UHFFFAOYSA-N -1 3 442.921 2.681 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(C)c2)cc1C ZINC000408674711 556065800 /nfs/dbraw/zinc/06/58/00/556065800.db2.gz GDVAKLMFUXXMNE-UHFFFAOYSA-N -1 3 431.558 2.565 40 0 IFABHM COC(=O)C(Cc1nc2ccc(Cl)cc2[nH]c1=O)=C([O-])C(=O)Nc1cc(C)ccc1C ZINC000008653648 556196927 /nfs/dbraw/zinc/19/69/27/556196927.db2.gz BELSWYSWNHPMHA-CQSZACIVSA-N -1 3 441.871 2.733 40 0 IFABHM COc1ccccc1NC(=N)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[n-]1 ZINC000009938473 556318632 /nfs/dbraw/zinc/31/86/32/556318632.db2.gz YLHAVTGLZHGJPW-UHFFFAOYSA-N -1 3 449.500 2.505 40 0 IFABHM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1 ZINC000030869729 556513177 /nfs/dbraw/zinc/51/31/77/556513177.db2.gz CXBVOVMKOBOXFZ-UHFFFAOYSA-N -1 3 440.861 2.537 40 0 IFABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2Cl)ccc1OC ZINC000013677819 556555493 /nfs/dbraw/zinc/55/54/93/556555493.db2.gz KEKOKTUIFITFMY-UHFFFAOYSA-N -1 3 426.878 2.686 40 0 IFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCN3CCOCC3)cc2C)cc1 ZINC000013678755 556555767 /nfs/dbraw/zinc/55/57/67/556555767.db2.gz ROXSCCMFRUCRJA-UHFFFAOYSA-N -1 3 431.558 2.556 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040390457 556637451 /nfs/dbraw/zinc/63/74/51/556637451.db2.gz GRBSWAYYMRBNTN-SJORKVTESA-N -1 3 437.500 2.806 40 0 IFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390705 556637606 /nfs/dbraw/zinc/63/76/06/556637606.db2.gz NWPWFTCROJBMGK-SFHVURJKSA-N -1 3 443.507 2.960 40 0 IFABHM COCCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000044839015 556668066 /nfs/dbraw/zinc/66/80/66/556668066.db2.gz JMJPMJRXVTVQRK-UHFFFAOYSA-N -1 3 439.921 2.730 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C4CCOCC4)C3)cc(=O)[n-]2)CC1 ZINC000019085289 556698984 /nfs/dbraw/zinc/69/89/84/556698984.db2.gz GMTKCEXDRQSJMF-IBGZPJMESA-N -1 3 444.576 2.677 40 0 IFABHM COc1cc(C)ccc1CN1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133887 556705363 /nfs/dbraw/zinc/70/53/63/556705363.db2.gz NJYDQXKRYYWSNB-LJQANCHMSA-N -1 3 436.556 2.761 40 0 IFABHM Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)cc1 ZINC000019209603 556708420 /nfs/dbraw/zinc/70/84/20/556708420.db2.gz SZWTXHMMRZSUTI-QHCPKHFHSA-N -1 3 443.551 2.938 40 0 IFABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)Cc3coc4c3ccc(C)c4C)nc2C1 ZINC000019221714 556715737 /nfs/dbraw/zinc/71/57/37/556715737.db2.gz ZBIXUPKUXQSEGQ-NRFANRHFSA-N -1 3 448.523 2.944 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019238679 556723550 /nfs/dbraw/zinc/72/35/50/556723550.db2.gz UNNMZLDFUWJFHS-LPHOPBHVSA-N -1 3 442.585 2.931 40 0 IFABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285180 556727154 /nfs/dbraw/zinc/72/71/54/556727154.db2.gz LIXDQWBFOHWRHE-HXUWFJFHSA-N -1 3 426.473 2.961 40 0 IFABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285181 556727190 /nfs/dbraw/zinc/72/71/90/556727190.db2.gz LIXDQWBFOHWRHE-FQEVSTJZSA-N -1 3 426.473 2.961 40 0 IFABHM Cc1nc(C)n(CCC(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)n1 ZINC000019285985 556727667 /nfs/dbraw/zinc/72/76/67/556727667.db2.gz NGXQEWWCLVHGLS-UHFFFAOYSA-N -1 3 426.546 2.578 40 0 IFABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4cc(F)ccc4F)C3)[n-]c(=O)c2C1 ZINC000019293045 556732396 /nfs/dbraw/zinc/73/23/96/556732396.db2.gz XHAWOOWPWAVXAY-HNNXBMFYSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(CN1CCc2nc(N3CCCCC3)[n-]c(=O)c2C1)Nc1cccc(C(F)(F)F)c1 ZINC000019330689 556736811 /nfs/dbraw/zinc/73/68/11/556736811.db2.gz XSQCFPOEMYJILL-UHFFFAOYSA-N -1 3 435.450 2.776 40 0 IFABHM O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339361 556739544 /nfs/dbraw/zinc/73/95/44/556739544.db2.gz AOYVXFBJGOVNSV-HXUWFJFHSA-N -1 3 435.553 2.691 40 0 IFABHM O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019400087 556752661 /nfs/dbraw/zinc/75/26/61/556752661.db2.gz WDKDOHVGINGSQK-NRFANRHFSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)C3CCCCC3)nc2C1 ZINC000019404963 556754691 /nfs/dbraw/zinc/75/46/91/556754691.db2.gz RXJDDFUGQMUIDP-FQEVSTJZSA-N -1 3 435.528 2.607 40 0 IFABHM C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459028 556766397 /nfs/dbraw/zinc/76/63/97/556766397.db2.gz WYUUSSLKNWGKSU-GHTZIAJQSA-N -1 3 443.551 2.843 40 0 IFABHM COc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)c1 ZINC000001325155 556771078 /nfs/dbraw/zinc/77/10/78/556771078.db2.gz ZSVWDMVLEVEKLN-UHFFFAOYSA-N -1 3 444.495 2.591 40 0 IFABHM COc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325124 556771180 /nfs/dbraw/zinc/77/11/80/556771180.db2.gz ALHJLPLIBMNMIH-UHFFFAOYSA-N -1 3 444.495 2.591 40 0 IFABHM CCCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)nc2C1 ZINC000019501662 556773224 /nfs/dbraw/zinc/77/32/24/556773224.db2.gz RTBXGLBDGAOCFA-IBGZPJMESA-N -1 3 426.492 2.961 40 0 IFABHM CCCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3ccc(F)cc3)nc2C1 ZINC000019501663 556773314 /nfs/dbraw/zinc/77/33/14/556773314.db2.gz RTBXGLBDGAOCFA-LJQANCHMSA-N -1 3 426.492 2.961 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccccc4)C2)[n-]c3=O)cc1 ZINC000001334369 556775674 /nfs/dbraw/zinc/77/56/74/556775674.db2.gz KMGSGQSWIMVTAU-LJQANCHMSA-N -1 3 428.496 2.891 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)Cc4cccs4)C2)[n-]c3=O)cc1 ZINC000001334178 556775858 /nfs/dbraw/zinc/77/58/58/556775858.db2.gz WQSNOYGPWMKZBC-KRWDZBQOSA-N -1 3 448.552 2.882 40 0 IFABHM O=C(Cc1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334972 556776114 /nfs/dbraw/zinc/77/61/14/556776114.db2.gz SSVOMOJICLIRKF-IBGZPJMESA-N -1 3 428.496 2.512 40 0 IFABHM CC(C)(C)C(=O)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000001352152 556780686 /nfs/dbraw/zinc/78/06/86/556780686.db2.gz OFMNJXHZCISPGO-UHFFFAOYSA-N -1 3 428.924 2.968 40 0 IFABHM CC(C)(C)C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001352076 556780704 /nfs/dbraw/zinc/78/07/04/556780704.db2.gz UFHPGJGVCBGPMZ-CQSZACIVSA-N -1 3 428.924 2.968 40 0 IFABHM CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c[n-][nH]c2=O)C1 ZINC000019528894 556789365 /nfs/dbraw/zinc/78/93/65/556789365.db2.gz CPEIKVMMKPGJJO-RUZDIDTESA-N -1 3 432.524 2.922 40 0 IFABHM COc1ncc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cn1 ZINC000019572012 556812359 /nfs/dbraw/zinc/81/23/59/556812359.db2.gz XPVSHRIUICNPHC-LJQANCHMSA-N -1 3 438.532 2.649 40 0 IFABHM CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)cc(I)c1[O-] ZINC000409032527 556927512 /nfs/dbraw/zinc/92/75/12/556927512.db2.gz CKCZIYSFOJSANA-XFFZJAGNSA-N -1 3 432.283 2.815 40 0 IFABHM NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000409387788 557099410 /nfs/dbraw/zinc/09/94/10/557099410.db2.gz BMNFEFXNTWSSQF-UHFFFAOYSA-N -1 3 443.456 2.743 40 0 IFABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCc2ccc(O)cc2)[C@@H]1O ZINC000585261626 557195075 /nfs/dbraw/zinc/19/50/75/557195075.db2.gz QKVMAWCCFAVROP-YFQPGXIDSA-N -1 3 439.508 2.662 40 0 IFABHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)cc1 ZINC000219226344 557232152 /nfs/dbraw/zinc/23/21/52/557232152.db2.gz LRTNHTOZQYQGNQ-UHFFFAOYSA-N -1 3 442.497 2.659 40 0 IFABHM CC(C)C(=O)N1CCc2nc3cc(C4CCN(Cc5ccccn5)CC4)[n-]n3c(=O)c2C1 ZINC000100232627 557250029 /nfs/dbraw/zinc/25/00/29/557250029.db2.gz KBASZRRRFZEVKX-UHFFFAOYSA-N -1 3 434.544 2.750 40 0 IFABHM CCCC(=O)N1CCc2nc3cc(C4CCN(CC5=CCCOC5)CC4)[n-]n3c(=O)c2C1 ZINC000100232602 557250129 /nfs/dbraw/zinc/25/01/29/557250129.db2.gz PRMSHXCBBBLLKR-UHFFFAOYSA-N -1 3 439.560 2.646 40 0 IFABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)CC1 ZINC000100237715 557253970 /nfs/dbraw/zinc/25/39/70/557253970.db2.gz UHRDAPYWOHFAAA-FUHIMQAGSA-N -1 3 442.560 2.736 40 0 IFABHM O=C(c1ccco1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000013150685 557301088 /nfs/dbraw/zinc/30/10/88/557301088.db2.gz FREJMDIEGHKGAH-CQSZACIVSA-N -1 3 438.875 2.829 40 0 IFABHM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)N(C)C)cc3)ccc2s1 ZINC000223308132 557457705 /nfs/dbraw/zinc/45/77/05/557457705.db2.gz YGNATQPITWUGQY-UHFFFAOYSA-N -1 3 448.522 2.956 40 0 IFABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000223689533 557502492 /nfs/dbraw/zinc/50/24/92/557502492.db2.gz HJQCEVLDNLVACM-GFCCVEGCSA-N -1 3 442.563 2.970 40 0 IFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000224245953 557580711 /nfs/dbraw/zinc/58/07/11/557580711.db2.gz ZTMIXFFTVUGMHO-UHFFFAOYSA-N -1 3 438.918 2.931 40 0 IFABHM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)cc2)CC1 ZINC000224250265 557581265 /nfs/dbraw/zinc/58/12/65/557581265.db2.gz SGIYQWYMXIXHCM-UHFFFAOYSA-N -1 3 440.569 2.538 40 0 IFABHM COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 ZINC000225278294 557708240 /nfs/dbraw/zinc/70/82/40/557708240.db2.gz CVUAYGSFWQRVOF-ZDUSSCGKSA-N -1 3 440.547 2.722 40 0 IFABHM COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000225651962 557757018 /nfs/dbraw/zinc/75/70/18/557757018.db2.gz QEDAYZLVNWQTOY-UHFFFAOYSA-N -1 3 438.918 2.931 40 0 IFABHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 ZINC000225883035 557788651 /nfs/dbraw/zinc/78/86/51/557788651.db2.gz HZRBFLVTUYOJNT-JTQLQIEISA-N -1 3 428.536 2.579 40 0 IFABHM O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)[N-]Cc3ccco3)c21 ZINC000004076051 562941430 /nfs/dbraw/zinc/94/14/30/562941430.db2.gz AYXUWEOKICYNFO-UHFFFAOYSA-N -1 3 425.304 2.820 40 0 IFABHM CN(CCc1ccccn1)C(=O)c1c([O-])ccc2c1O[C@@H]1C[C@H]3C[C@H](C3(C)C)[C@]1(O)[C@H]2O ZINC000257202710 568666423 /nfs/dbraw/zinc/66/64/23/568666423.db2.gz AMZIGMMRNHQALU-YFQPGXIDSA-N -1 3 438.524 2.693 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257242976 568685205 /nfs/dbraw/zinc/68/52/05/568685205.db2.gz IFADCJRTJRSCNB-UHFFFAOYSA-N -1 3 440.529 2.896 40 0 IFABHM CC1(C(=O)N2CCC[C@H]2c2[n-]ncc2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000257248212 568687603 /nfs/dbraw/zinc/68/76/03/568687603.db2.gz JCQKBRHRSYUMHS-SFHVURJKSA-N -1 3 430.574 2.779 40 0 IFABHM CC1(C(=O)N2CCC[C@H]2c2n[n-]cc2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000257248212 568687604 /nfs/dbraw/zinc/68/76/04/568687604.db2.gz JCQKBRHRSYUMHS-SFHVURJKSA-N -1 3 430.574 2.779 40 0 IFABHM CC(=O)N1CCCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2CC(=O)Nc1nc(C)cc(=O)[n-]1 ZINC000257252712 568689868 /nfs/dbraw/zinc/68/98/68/568689868.db2.gz JVVKUMAVMLXRGH-JTAQYXEDSA-N -1 3 437.544 2.688 40 0 IFABHM CC(=O)O[C@H]1C[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccc([O-])cc3)C=C(C)C[C@H]2O)[C@]1(O)C(C)C ZINC000035271436 519758221 /nfs/dbraw/zinc/75/82/21/519758221.db2.gz KHLABRVSJLTKHQ-KSSSERLJSA-N -1 3 432.513 2.974 40 0 biogenic,in-vitro IFABHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000022246402 526447965 /nfs/dbraw/zinc/44/79/65/526447965.db2.gz MXKWQNXKWLTOPT-QGZVFWFLSA-N -1 3 443.352 2.742 40 0 IFABHM O=C(CN1CCC(Nc2nc3c(c(=O)[n-]2)CCC3)CC1)Nc1ccccc1C(F)(F)F ZINC000012113684 526727796 /nfs/dbraw/zinc/72/77/96/526727796.db2.gz BGFQQRHLIZFBAW-UHFFFAOYSA-N -1 3 435.450 2.792 40 0 IFABHM O=C(CN1CCC(Nc2nc(C(F)(F)F)cc(=O)[n-]2)CC1)N1CCCc2ccccc21 ZINC000012114041 526728280 /nfs/dbraw/zinc/72/82/80/526728280.db2.gz YFWBEZZIUUNTCZ-UHFFFAOYSA-N -1 3 435.450 2.644 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408601772 555970554 /nfs/dbraw/zinc/97/05/54/555970554.db2.gz HEYITZILWRFXHR-INIZCTEOSA-N -1 3 434.514 2.512 40 0 IFABHM CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000408612742 555978018 /nfs/dbraw/zinc/97/80/18/555978018.db2.gz YOIYQIBOVUWBES-SNVBAGLBSA-N -1 3 431.283 2.902 40 0 IFABHM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)c1 ZINC000408619820 555988889 /nfs/dbraw/zinc/98/88/89/555988889.db2.gz NTELCBVXRAAARS-UHFFFAOYSA-N -1 3 445.585 2.865 40 0 IFABHM COc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000408627070 555997736 /nfs/dbraw/zinc/99/77/36/555997736.db2.gz XUTSEZPSZKCJEN-NSHDSACASA-N -1 3 428.894 2.671 40 0 IFABHM CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1 ZINC000408660707 556041060 /nfs/dbraw/zinc/04/10/60/556041060.db2.gz VBXJPLLSNFWUJK-OAHLLOKOSA-N -1 3 443.887 2.578 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)c(C)c2)cc1 ZINC000408674702 556065710 /nfs/dbraw/zinc/06/57/10/556065710.db2.gz GCMLCPJCKHBHSC-IBGZPJMESA-N -1 3 448.541 2.869 40 0 IFABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCCCn1ccnc1 ZINC000408674795 556066050 /nfs/dbraw/zinc/06/60/50/556066050.db2.gz CQODIHAJFUGNQE-UHFFFAOYSA-N -1 3 446.504 2.717 40 0 IFABHM COc1ccc(C([O-])=C2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427362 556505906 /nfs/dbraw/zinc/50/59/06/556505906.db2.gz PRTCGQRTMLEBJQ-GJYPPUQNSA-N -1 3 438.358 2.528 40 0 IFABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc(C(=O)OC)c1 ZINC000030867877 556512890 /nfs/dbraw/zinc/51/28/90/556512890.db2.gz UMLLCCXGNSDGGD-UHFFFAOYSA-N -1 3 440.861 2.537 40 0 IFABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390695 556637678 /nfs/dbraw/zinc/63/76/78/556637678.db2.gz LNSSXFPWNHAHNJ-QGZVFWFLSA-N -1 3 429.480 2.706 40 0 IFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400025 556642908 /nfs/dbraw/zinc/64/29/08/556642908.db2.gz LOOVQMXVGOMHDN-OAHLLOKOSA-N -1 3 449.467 2.985 40 0 IFABHM Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C4CCOCC4)[n-]c(=O)c3C2)s1 ZINC000019217034 556712478 /nfs/dbraw/zinc/71/24/78/556712478.db2.gz ZJOWKEUYDVGASR-GOSISDBHSA-N -1 3 428.558 2.654 40 0 IFABHM Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019237068 556721952 /nfs/dbraw/zinc/72/19/52/556721952.db2.gz JEGCUPFLLUQKCM-HSZRJFAPSA-N -1 3 443.551 2.938 40 0 IFABHM O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019293544 556733037 /nfs/dbraw/zinc/73/30/37/556733037.db2.gz MXPATUUQZKXMNK-OAQYLSRUSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339353 556739456 /nfs/dbraw/zinc/73/94/56/556739456.db2.gz VRBZQVJWRKMUGH-JOCHJYFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019347654 556743105 /nfs/dbraw/zinc/74/31/05/556743105.db2.gz DMMYJTYUUPOZKW-MRXNPFEDSA-N -1 3 438.503 2.614 40 0 IFABHM O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019347551 556743154 /nfs/dbraw/zinc/74/31/54/556743154.db2.gz INHOSCYXIBVXFT-OAQYLSRUSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349303 556744329 /nfs/dbraw/zinc/74/43/29/556744329.db2.gz YAFLMMLRJIBBCA-NRFANRHFSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(Cc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019370194 556747453 /nfs/dbraw/zinc/74/74/53/556747453.db2.gz DFCWYWWJLXAVTD-QFIPXVFZSA-N -1 3 429.524 2.629 40 0 IFABHM O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019370783 556748116 /nfs/dbraw/zinc/74/81/16/556748116.db2.gz ZOCJKJMCQSKVDX-OAQYLSRUSA-N -1 3 434.540 2.751 40 0 IFABHM O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404972 556754732 /nfs/dbraw/zinc/75/47/32/556754732.db2.gz XYEJFLAIZNFVFT-HXUWFJFHSA-N -1 3 435.528 2.607 40 0 IFABHM O=C(C1CCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000001324874 556770808 /nfs/dbraw/zinc/77/08/08/556770808.db2.gz ABQSECMQMUXCNK-UHFFFAOYSA-N -1 3 426.908 2.722 40 0 IFABHM COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)cc1 ZINC000001325145 556771055 /nfs/dbraw/zinc/77/10/55/556771055.db2.gz LXZNAHNFVWVKKN-UHFFFAOYSA-N -1 3 444.495 2.591 40 0 IFABHM O=C(Cc1ccccc1)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)C1 ZINC000001334597 556775758 /nfs/dbraw/zinc/77/57/58/556775758.db2.gz RPPJAQDXJZAFCI-SFHVURJKSA-N -1 3 446.486 2.651 40 0 IFABHM COc1cc(CCC(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)on1 ZINC000019550408 556795359 /nfs/dbraw/zinc/79/53/59/556795359.db2.gz AHTZCAMQCTVDJN-UHFFFAOYSA-N -1 3 428.514 2.909 40 0 IFABHM Cc1nn(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(N3CCCC3)n2)c2ccccc2)c(C)c1C ZINC000019556575 556799229 /nfs/dbraw/zinc/79/92/29/556799229.db2.gz GSXGZDBWOTXJPL-NRFANRHFSA-N -1 3 434.544 2.592 40 0 IFABHM Cc1nn(CC(=O)N[C@H](Cc2cc(=O)[n-]c(N3CCCC3)n2)c2ccccc2)c(C)c1C ZINC000019556578 556799252 /nfs/dbraw/zinc/79/92/52/556799252.db2.gz GSXGZDBWOTXJPL-OAQYLSRUSA-N -1 3 434.544 2.592 40 0 IFABHM COc1ccc(OCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1 ZINC000019556733 556799298 /nfs/dbraw/zinc/79/92/98/556799298.db2.gz AUOPZSNBWSNAKW-UHFFFAOYSA-N -1 3 426.498 2.687 40 0 IFABHM Cc1nn(CCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(C)c1C ZINC000019557056 556799503 /nfs/dbraw/zinc/79/95/03/556799503.db2.gz GBRGJGZEDRBHTI-UHFFFAOYSA-N -1 3 426.546 2.811 40 0 IFABHM Cc1nonc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019558760 556800663 /nfs/dbraw/zinc/80/06/63/556800663.db2.gz VJNGXVSEXUIHFL-AWEZNQCLSA-N -1 3 440.529 2.513 40 0 IFABHM Cc1nonc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019558757 556800748 /nfs/dbraw/zinc/80/07/48/556800748.db2.gz VJNGXVSEXUIHFL-CQSZACIVSA-N -1 3 440.529 2.513 40 0 IFABHM COc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)cn1 ZINC000019561906 556803280 /nfs/dbraw/zinc/80/32/80/556803280.db2.gz WPBVZJDYBSWDKT-FQEVSTJZSA-N -1 3 427.464 2.949 40 0 IFABHM COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000019566966 556807310 /nfs/dbraw/zinc/80/73/10/556807310.db2.gz RDXYFTFLDXIQTB-QGZVFWFLSA-N -1 3 440.525 2.636 40 0 IFABHM COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000019566969 556807346 /nfs/dbraw/zinc/80/73/46/556807346.db2.gz RDXYFTFLDXIQTB-KRWDZBQOSA-N -1 3 440.525 2.636 40 0 IFABHM COc1ccc(CC(=O)N2CC[C@@H](c3nc(-c4cccnc4OC)cc(=O)[n-]3)C2)cc1C ZINC000019571041 556811144 /nfs/dbraw/zinc/81/11/44/556811144.db2.gz IMCKBWODDVHJJR-QGZVFWFLSA-N -1 3 434.496 2.716 40 0 IFABHM C[C@@H](CNc1nc2c(c(=O)[n-]1)CCCC2)NC(=O)c1cccc2[nH]c(C(F)(F)F)nc21 ZINC000019574172 556814256 /nfs/dbraw/zinc/81/42/56/556814256.db2.gz KILIBFFTEBTPHJ-JTQLQIEISA-N -1 3 434.422 2.774 40 0 IFABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccc(OCC)cc2)c(C)c1C(=O)OC ZINC000006601194 556837954 /nfs/dbraw/zinc/83/79/54/556837954.db2.gz NNVNUPOTQXVVBA-UHFFFAOYSA-N -1 3 434.470 2.996 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377748 556956430 /nfs/dbraw/zinc/95/64/30/556956430.db2.gz DAGMBGHIUIFQCA-HNNXBMFYSA-N -1 3 426.502 2.587 40 0 IFABHM Cc1cc(C)n(CCc2nnc([N-]C(=O)c3nnn(-c4ccccc4F)c3C)s2)n1 ZINC000072392126 556963218 /nfs/dbraw/zinc/96/32/18/556963218.db2.gz UFHNVPNJKAOVHH-UHFFFAOYSA-N -1 3 426.481 2.875 40 0 IFABHM C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000257293012 556999579 /nfs/dbraw/zinc/99/95/79/556999579.db2.gz QNUMIIOHSBFBEM-BRWVUGGUSA-N -1 3 440.544 2.761 40 0 IFABHM CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)CC1 ZINC000409376569 557092427 /nfs/dbraw/zinc/09/24/27/557092427.db2.gz ZOWITPFMYFLYTR-UHFFFAOYSA-N -1 3 431.558 2.647 40 0 IFABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000303028171 557143318 /nfs/dbraw/zinc/14/33/18/557143318.db2.gz WNIPPRGRVFMAPW-UHFFFAOYSA-N -1 3 428.341 2.621 40 0 IFABHM O=C(C1CC1)N1CCc2nc3cc(C4CCN(Cc5ccccn5)CC4)[n-]n3c(=O)c2C1 ZINC000100232607 557249970 /nfs/dbraw/zinc/24/99/70/557249970.db2.gz KLHNPCQSWJJAGT-UHFFFAOYSA-N -1 3 432.528 2.504 40 0 IFABHM CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000223227040 557448564 /nfs/dbraw/zinc/44/85/64/557448564.db2.gz RMCPSMCURXHUCN-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(Cl)c1 ZINC000016429149 557473384 /nfs/dbraw/zinc/47/33/84/557473384.db2.gz YGGIEQNKUHNTAB-UHFFFAOYSA-N -1 3 425.713 2.551 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(-c3ccc(OC)cc3)no2)c1 ZINC000223912823 557527869 /nfs/dbraw/zinc/52/78/69/557527869.db2.gz PZLNVSXXUZAIAQ-UHFFFAOYSA-N -1 3 437.861 2.664 40 0 IFABHM CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 ZINC000224765902 557649360 /nfs/dbraw/zinc/64/93/60/557649360.db2.gz SVAKSWQKHOGANH-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000225175789 557696531 /nfs/dbraw/zinc/69/65/31/557696531.db2.gz OMNORCKQEXMAOU-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC4CCN(C)CC4)cc3)cc2sc1=O ZINC000225682828 557762756 /nfs/dbraw/zinc/76/27/56/557762756.db2.gz BFVPZBHOLUSLGX-UHFFFAOYSA-N -1 3 433.555 2.874 40 0 IFABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)cc1OC ZINC000225928020 557793488 /nfs/dbraw/zinc/79/34/88/557793488.db2.gz ZCLVGQZJCPEOSC-UHFFFAOYSA-N -1 3 426.441 2.573 40 0 IFABHM CN(C)S(=O)(=O)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257299196 568710762 /nfs/dbraw/zinc/71/07/62/568710762.db2.gz RPCGXIRPRIJBKB-UHFFFAOYSA-N -1 3 430.456 2.620 40 0 IFABHM CCOc1cc(CN2CC[C@H](Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)[O-] ZINC000257336473 568727150 /nfs/dbraw/zinc/72/71/50/568727150.db2.gz YOPWKIOGGXHEBZ-QGZVFWFLSA-N -1 3 437.500 2.793 40 0 IFABHM Cc1nc(Nc2cccc(C3CCN(C(=O)CC[C@H]4NC(=O)[N-]C4=O)CC3)n2)sc1C ZINC000257341850 568729441 /nfs/dbraw/zinc/72/94/41/568729441.db2.gz ZMDYSOZIARSGHV-MRXNPFEDSA-N -1 3 442.545 2.593 40 0 IFABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000247797111 569206160 /nfs/dbraw/zinc/20/61/60/569206160.db2.gz CZRQCSFQSMBRPC-PSHVLCQKSA-N -1 3 433.556 2.888 40 0 IFABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccncc2)C3)C1 ZINC000247951964 569206648 /nfs/dbraw/zinc/20/66/48/569206648.db2.gz SZOITKIURBBZOI-PSHVLCQKSA-N -1 3 433.556 2.888 40 0 IFABHM CCn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1ccccc1[O-] ZINC000105938211 569250299 /nfs/dbraw/zinc/25/02/99/569250299.db2.gz GBHWRMNDGYEBMN-UHFFFAOYSA-N -1 3 438.513 2.592 40 0 IFABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)c1 ZINC000108926123 569253247 /nfs/dbraw/zinc/25/32/47/569253247.db2.gz CHYVREUCMADQBC-UHFFFAOYSA-N -1 3 439.493 2.912 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000139114781 569254825 /nfs/dbraw/zinc/25/48/25/569254825.db2.gz WLZUNKFCSNMBFW-UONOGXRCSA-N -1 3 425.489 2.612 40 0 IFABHM O=c1[n-]c(-c2ccccc2I)nc2nc(Br)cnc12 ZINC000225733782 569407656 /nfs/dbraw/zinc/40/76/56/569407656.db2.gz STXPYJMRMJXSGP-UHFFFAOYSA-N -1 3 429.015 2.747 40 0 IFABHM CC(=O)O[C@@H]1C[C@@]2(C)[C@H]([C@@H](OC(=O)c3ccc([O-])cc3)C=C(C)C[C@H]2O)[C@]1(O)C(C)C ZINC000031157364 291340739 /nfs/dbraw/zinc/34/07/39/291340739.db2.gz KHLABRVSJLTKHQ-GPZRHZKYSA-N -1 3 432.513 2.974 40 0 biogenic,in-vitro IFABHM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c1 ZINC000020489250 521980435 /nfs/dbraw/zinc/98/04/35/521980435.db2.gz ZSZCSBJCOLTSTN-UHFFFAOYSA-N -1 3 440.861 2.537 40 0 IFABHM O=C([O-])C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 ZINC000020463402 527630295 /nfs/dbraw/zinc/63/02/95/527630295.db2.gz SPSFXWAIKQCUNY-VXKWHMMOSA-N -1 3 436.556 2.847 40 0 biogenic,in-vitro IFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCCCn1ccnc1 ZINC000408588691 555940853 /nfs/dbraw/zinc/94/08/53/555940853.db2.gz DPWZUYVAAVFNOM-UHFFFAOYSA-N -1 3 448.932 2.923 40 0 IFABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 ZINC000408589705 555945736 /nfs/dbraw/zinc/94/57/36/555945736.db2.gz FDFLTGRWVBPOQN-QGZVFWFLSA-N -1 3 432.542 2.984 40 0 IFABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408589704 555945789 /nfs/dbraw/zinc/94/57/89/555945789.db2.gz FDFLTGRWVBPOQN-KRWDZBQOSA-N -1 3 432.542 2.984 40 0 IFABHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596182 555963172 /nfs/dbraw/zinc/96/31/72/555963172.db2.gz RMBYVXXQWLNGJK-HNNXBMFYSA-N -1 3 433.530 2.985 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1 ZINC000408597492 555965022 /nfs/dbraw/zinc/96/50/22/555965022.db2.gz WZQRGEQHZZSDTP-UHFFFAOYSA-N -1 3 437.949 2.602 40 0 IFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408612776 555978032 /nfs/dbraw/zinc/97/80/32/555978032.db2.gz YSFAWSPYSIAVJV-CQSZACIVSA-N -1 3 426.922 2.979 40 0 IFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000408674969 556066083 /nfs/dbraw/zinc/06/60/83/556066083.db2.gz NZSOBFRNWLNNPC-UHFFFAOYSA-N -1 3 436.530 2.726 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)COC)c(C)c2)cc1 ZINC000408675005 556066389 /nfs/dbraw/zinc/06/63/89/556066389.db2.gz OPCBVGSWRXGUQX-MRXNPFEDSA-N -1 3 436.530 2.724 40 0 IFABHM O=C(Cc1cccs1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000006529224 556092273 /nfs/dbraw/zinc/09/22/73/556092273.db2.gz NDDSGZLMPWVNAE-UHFFFAOYSA-N -1 3 434.525 2.985 40 0 IFABHM COCc1nn2c(ncc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397202 556639578 /nfs/dbraw/zinc/63/95/78/556639578.db2.gz VDZLNTXBXUVGCA-UHFFFAOYSA-N -1 3 444.426 2.776 40 0 IFABHM CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000040399653 556642085 /nfs/dbraw/zinc/64/20/85/556642085.db2.gz TXBHEIWOICBTND-INIZCTEOSA-N -1 3 435.415 2.920 40 0 IFABHM Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)on1 ZINC000019119806 556700842 /nfs/dbraw/zinc/70/08/42/556700842.db2.gz BJWQZSNAIAOSBA-KRWDZBQOSA-N -1 3 441.532 2.860 40 0 IFABHM Cc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(N3CCOCC3)n2)c2ccccc2)cc1F ZINC000019214478 556711257 /nfs/dbraw/zinc/71/12/57/556711257.db2.gz SPZGLWNWGAPGKA-OAQYLSRUSA-N -1 3 436.487 2.768 40 0 IFABHM Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C4CCOCC4)[n-]c(=O)c3C2)s1 ZINC000019217032 556712571 /nfs/dbraw/zinc/71/25/71/556712571.db2.gz ZJOWKEUYDVGASR-SFHVURJKSA-N -1 3 428.558 2.654 40 0 IFABHM Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019237069 556721941 /nfs/dbraw/zinc/72/19/41/556721941.db2.gz JEGCUPFLLUQKCM-QHCPKHFHSA-N -1 3 443.551 2.938 40 0 IFABHM O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019292803 556732029 /nfs/dbraw/zinc/73/20/29/556732029.db2.gz LIBHCLDZEVLFEZ-IBGZPJMESA-N -1 3 442.466 2.710 40 0 IFABHM O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@@H]3CCN(Cc4cccc(F)c4F)C3)nc2C1 ZINC000019292707 556732202 /nfs/dbraw/zinc/73/22/02/556732202.db2.gz LUQGAIBFTUWCJA-MRXNPFEDSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccnc1)C2 ZINC000019337772 556739005 /nfs/dbraw/zinc/73/90/05/556739005.db2.gz HDRMLWYVKCSTPO-NRFANRHFSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019339121 556739489 /nfs/dbraw/zinc/73/94/89/556739489.db2.gz LQRQWEXVYHHVOT-QGZVFWFLSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019400125 556752908 /nfs/dbraw/zinc/75/29/08/556752908.db2.gz UJYGDEHGLOCTPQ-NRFANRHFSA-N -1 3 430.512 2.898 40 0 IFABHM O=C(CC1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404978 556754783 /nfs/dbraw/zinc/75/47/83/556754783.db2.gz WKRJEIPWQSBCJZ-OAQYLSRUSA-N -1 3 449.555 2.997 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)Cc4ccccc4)CC2)[n-]c3=O)cc1 ZINC000001324623 556770731 /nfs/dbraw/zinc/77/07/31/556770731.db2.gz BEWZIKGMRUVAQX-UHFFFAOYSA-N -1 3 442.523 2.820 40 0 IFABHM O=C(Cc1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000001324810 556770756 /nfs/dbraw/zinc/77/07/56/556770756.db2.gz GZTHHWPANWSOBV-UHFFFAOYSA-N -1 3 446.486 2.651 40 0 IFABHM CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(OC)s3)[n-]c2=O)C1 ZINC000019499127 556770954 /nfs/dbraw/zinc/77/09/54/556770954.db2.gz AHLIADDJYRHMSX-HNNXBMFYSA-N -1 3 430.530 2.502 40 0 IFABHM CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019499819 556771783 /nfs/dbraw/zinc/77/17/83/556771783.db2.gz UOQXRQHILHJIBP-GJZGRUSLSA-N -1 3 428.558 2.782 40 0 IFABHM CCCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3cccc(F)c3)nc2C1 ZINC000019501664 556773334 /nfs/dbraw/zinc/77/33/34/556773334.db2.gz VKRUDYURLYKQFS-IBGZPJMESA-N -1 3 426.492 2.961 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)Cc4cccs4)C2)[n-]c3=O)cc1 ZINC000001334181 556775766 /nfs/dbraw/zinc/77/57/66/556775766.db2.gz WQSNOYGPWMKZBC-QGZVFWFLSA-N -1 3 448.552 2.882 40 0 IFABHM O=C(NC1CCCCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001359239 556786195 /nfs/dbraw/zinc/78/61/95/556786195.db2.gz IAQAMRNKWIRIAV-QGZVFWFLSA-N -1 3 435.532 2.785 40 0 IFABHM Cc1ncc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c(C)n1 ZINC000019552548 556796244 /nfs/dbraw/zinc/79/62/44/556796244.db2.gz BAUAQFDQBBLYSA-OAQYLSRUSA-N -1 3 426.480 2.953 40 0 IFABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4ccccn4)C3)[n-]c(=O)c2C1 ZINC000019570606 556810721 /nfs/dbraw/zinc/81/07/21/556810721.db2.gz UFGZFMLEYUQMRY-SFHVURJKSA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4ccncc4)C3)[n-]c(=O)c2C1 ZINC000019570618 556810811 /nfs/dbraw/zinc/81/08/11/556810811.db2.gz GMSDZPDVNXLKLA-IBGZPJMESA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccccc1CN1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019570673 556810875 /nfs/dbraw/zinc/81/08/75/556810875.db2.gz UMFLOZBOMYLQFP-IBGZPJMESA-N -1 3 436.556 2.843 40 0 IFABHM Cc1noc(C)c1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)CC1 ZINC000019579877 556817812 /nfs/dbraw/zinc/81/78/12/556817812.db2.gz MDJGFTVYRGSNBS-UHFFFAOYSA-N -1 3 438.532 2.826 40 0 IFABHM C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335571 556908610 /nfs/dbraw/zinc/90/86/10/556908610.db2.gz QNUMIIOHSBFBEM-ULQDDVLXSA-N -1 3 440.544 2.761 40 0 IFABHM CCc1cc(=O)[n-]c(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000072341836 556914295 /nfs/dbraw/zinc/91/42/95/556914295.db2.gz GBKQGRLGFIXKNY-UHFFFAOYSA-N -1 3 430.452 2.616 40 0 IFABHM COc1ccccc1N1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)CC1 ZINC000019937680 556951336 /nfs/dbraw/zinc/95/13/36/556951336.db2.gz GHVZUZZFEAVHEN-UHFFFAOYSA-N -1 3 438.915 2.990 40 0 IFABHM Cc1cnccc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)CC1 ZINC000072389792 556959954 /nfs/dbraw/zinc/95/99/54/556959954.db2.gz OFBFCLBSACZRGA-UHFFFAOYSA-N -1 3 434.544 2.925 40 0 IFABHM CCCC(=O)N1CCc2nc(C3CCN(Cc4cnc5ccccc5n4)CC3)[n-]c(=O)c2C1 ZINC000072398756 556970709 /nfs/dbraw/zinc/97/07/09/556970709.db2.gz DJLSYGZBOPKERL-UHFFFAOYSA-N -1 3 446.555 2.778 40 0 IFABHM C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000257293014 556999544 /nfs/dbraw/zinc/99/95/44/556999544.db2.gz QNUMIIOHSBFBEM-ZACQAIPSSA-N -1 3 440.544 2.761 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1 ZINC000409377653 557093377 /nfs/dbraw/zinc/09/33/77/557093377.db2.gz JSNDXKNGDLKWLI-UHFFFAOYSA-N -1 3 427.482 2.586 40 0 IFABHM Cc1ccccc1NC(=N)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[n-]1 ZINC000009264462 557185529 /nfs/dbraw/zinc/18/55/29/557185529.db2.gz FGRYQDFCTDHYPW-UHFFFAOYSA-N -1 3 433.501 2.805 40 0 IFABHM CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(Cc5cccnc5)C4)[n-]n3c(=O)c2C1 ZINC000100233694 557251032 /nfs/dbraw/zinc/25/10/32/557251032.db2.gz UGAWOPFOBLDYJK-SFHVURJKSA-N -1 3 434.544 2.750 40 0 IFABHM CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCN(Cc5cccnc5)C4)[n-]n3c(=O)c2C1 ZINC000100233692 557251092 /nfs/dbraw/zinc/25/10/92/557251092.db2.gz UGAWOPFOBLDYJK-GOSISDBHSA-N -1 3 434.544 2.750 40 0 IFABHM O=C(c1ccco1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000013150686 557301153 /nfs/dbraw/zinc/30/11/53/557301153.db2.gz FREJMDIEGHKGAH-AWEZNQCLSA-N -1 3 438.875 2.829 40 0 IFABHM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)s1 ZINC000224538786 557618407 /nfs/dbraw/zinc/61/84/07/557618407.db2.gz HSOZVQADCCXZBV-UHFFFAOYSA-N -1 3 428.561 2.696 40 0 IFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1OC ZINC000225162064 557694478 /nfs/dbraw/zinc/69/44/78/557694478.db2.gz ORTHLWFOTZGHFY-UHFFFAOYSA-N -1 3 448.526 2.595 40 0 IFABHM COc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000225387447 557717346 /nfs/dbraw/zinc/71/73/46/557717346.db2.gz ROZCGHJNLALSOW-ZDUSSCGKSA-N -1 3 440.547 2.722 40 0 IFABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1[N-]S(C)(=O)=O ZINC000225416255 557720396 /nfs/dbraw/zinc/72/03/96/557720396.db2.gz GNNLRDGHIRGISR-RBUKOAKNSA-N -1 3 443.554 2.967 40 0 IFABHM COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1[N-]S(C)(=O)=O ZINC000225416172 557720419 /nfs/dbraw/zinc/72/04/19/557720419.db2.gz GNNLRDGHIRGISR-OALUTQOASA-N -1 3 443.554 2.967 40 0 IFABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)c2)n1 ZINC000226057057 557803221 /nfs/dbraw/zinc/80/32/21/557803221.db2.gz CERCIPYZUQCLCZ-UHFFFAOYSA-N -1 3 446.916 2.658 40 0 IFABHM CO[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1 ZINC000248131380 569207221 /nfs/dbraw/zinc/20/72/21/569207221.db2.gz KSKKQIUFWYGUNI-HLIPFELVSA-N -1 3 442.560 2.736 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1 ZINC000253598481 569209048 /nfs/dbraw/zinc/20/90/48/569209048.db2.gz CCHYIZACWYYFQG-QZTJIDSGSA-N -1 3 428.558 2.953 40 0 IFABHM O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343669 569226309 /nfs/dbraw/zinc/22/63/09/569226309.db2.gz JXQVRBVMMRDDRI-RBUKOAKNSA-N -1 3 428.558 2.622 40 0 IFABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@H]4C)[n-]c(=O)c32)c1 ZINC000059816925 569249750 /nfs/dbraw/zinc/24/97/50/569249750.db2.gz YIAMWWRGSRWYIH-XJKCOSOUSA-N -1 3 425.489 2.610 40 0 IFABHM CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)CC1 ZINC000108111305 569252410 /nfs/dbraw/zinc/25/24/10/569252410.db2.gz YCDNHCKDMDXBCR-UHFFFAOYSA-N -1 3 431.558 2.647 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)cc2)cc1 ZINC000108260120 569252882 /nfs/dbraw/zinc/25/28/82/569252882.db2.gz NCGJKQYPIPIWIF-UHFFFAOYSA-N -1 3 436.530 2.806 40 0 IFABHM COc1ccc(C([O-])=C2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000036056658 523779557 /nfs/dbraw/zinc/77/95/57/523779557.db2.gz PRTCGQRTMLEBJQ-GPMSIDNRSA-N -1 3 438.358 2.528 40 0 IFABHM COc1ccc(C([O-])=C2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035092933 523779614 /nfs/dbraw/zinc/77/96/14/523779614.db2.gz MFKHXFHMYVBDGS-GPMSIDNRSA-N -1 3 440.374 2.513 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCC[C@@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000012182721 524038269 /nfs/dbraw/zinc/03/82/69/524038269.db2.gz HAHRBECOQPAEBO-GOSISDBHSA-N -1 3 448.571 2.818 40 0 IFABHM Cc1c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000022533265 525860744 /nfs/dbraw/zinc/86/07/44/525860744.db2.gz YQPQMPDDSMNHLC-UHFFFAOYSA-N -1 3 434.905 2.762 40 0 IFABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](C1(C)CC1)N3)C2 ZINC000012143188 527092518 /nfs/dbraw/zinc/09/25/18/527092518.db2.gz WKHWOGSKRPQKKA-CABCVRRESA-N -1 3 436.438 2.561 40 0 IFABHM CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)CC1 ZINC000034895473 555549449 /nfs/dbraw/zinc/54/94/49/555549449.db2.gz AIPKKPGNGDUBBW-UHFFFAOYSA-N -1 3 431.558 2.647 40 0 IFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NC[C@@H]1CCCO1 ZINC000408597603 555965343 /nfs/dbraw/zinc/96/53/43/555965343.db2.gz ZOHCFOFAIMTINX-HNNXBMFYSA-N -1 3 442.896 2.954 40 0 IFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCCCn1ccnc1 ZINC000408605174 555965809 /nfs/dbraw/zinc/96/58/09/555965809.db2.gz MVGRBVRDPIKTEI-UHFFFAOYSA-N -1 3 448.932 2.923 40 0 IFABHM CSc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1 ZINC000408609532 555979741 /nfs/dbraw/zinc/97/97/41/555979741.db2.gz TYBMISZERDGYMI-HNNXBMFYSA-N -1 3 436.555 2.835 40 0 IFABHM COc1ccc(OC)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000408616548 555987553 /nfs/dbraw/zinc/98/75/53/555987553.db2.gz AGBIHBRIXNIQGE-LLVKDONJSA-N -1 3 428.894 2.671 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)c(C)c2)cc1 ZINC000408674705 556065714 /nfs/dbraw/zinc/06/57/14/556065714.db2.gz GCMLCPJCKHBHSC-LJQANCHMSA-N -1 3 448.541 2.869 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(C)c2)cc1 ZINC000408677839 556072162 /nfs/dbraw/zinc/07/21/62/556072162.db2.gz RWQGJRQXPNWLNL-UHFFFAOYSA-N -1 3 441.509 2.895 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(C)c2)cc1 ZINC000408680524 556075302 /nfs/dbraw/zinc/07/53/02/556075302.db2.gz ZQGBASQHGKUHNW-UHFFFAOYSA-N -1 3 441.509 2.895 40 0 IFABHM Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000010112992 556326233 /nfs/dbraw/zinc/32/62/33/556326233.db2.gz XNXMUOCAWBVRMH-MRXNPFEDSA-N -1 3 431.514 2.528 40 0 IFABHM S=C(NN=c1nc(N2CCOCC2)nc(Nc2ccccc2)[n-]1)NC1CCCCC1 ZINC000016490585 556612295 /nfs/dbraw/zinc/61/22/95/556612295.db2.gz CDICFXCQIYIYCC-UHFFFAOYSA-N -1 3 428.566 2.576 40 0 IFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389043 556636636 /nfs/dbraw/zinc/63/66/36/556636636.db2.gz NANBQBIUWYNYBP-XJKSGUPXSA-N -1 3 425.489 2.612 40 0 IFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399835 556642758 /nfs/dbraw/zinc/64/27/58/556642758.db2.gz LGRIUEHLJONCNO-KRWDZBQOSA-N -1 3 449.467 2.985 40 0 IFABHM O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019014707 556691848 /nfs/dbraw/zinc/69/18/48/556691848.db2.gz NMPHDPHLWQKNGM-UXHICEINSA-N -1 3 442.560 2.880 40 0 IFABHM Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)C3CC3)C4)C2)cc1 ZINC000019135698 556706178 /nfs/dbraw/zinc/70/61/78/556706178.db2.gz RPPHNTCDRIWCSO-QFBILLFUSA-N -1 3 434.540 2.905 40 0 IFABHM Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)cc1 ZINC000019209600 556708446 /nfs/dbraw/zinc/70/84/46/556708446.db2.gz SZWTXHMMRZSUTI-HSZRJFAPSA-N -1 3 443.551 2.938 40 0 IFABHM Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1 ZINC000019210475 556708834 /nfs/dbraw/zinc/70/88/34/556708834.db2.gz YZYUJQVZJIJIEN-FQEVSTJZSA-N -1 3 430.574 2.512 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019238671 556723787 /nfs/dbraw/zinc/72/37/87/556723787.db2.gz CCHYIZACWYYFQG-ROUUACIJSA-N -1 3 428.558 2.541 40 0 IFABHM COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285183 556727095 /nfs/dbraw/zinc/72/70/95/556727095.db2.gz CDWXTEPFJVITAO-OAQYLSRUSA-N -1 3 438.509 2.831 40 0 IFABHM Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)n1 ZINC000019285827 556727677 /nfs/dbraw/zinc/72/76/77/556727677.db2.gz MDORKMJVMPHYQD-CQSZACIVSA-N -1 3 440.573 2.824 40 0 IFABHM O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019332073 556737222 /nfs/dbraw/zinc/73/72/22/556737222.db2.gz YBBJDXIDTZDEJU-FQEVSTJZSA-N -1 3 438.503 2.961 40 0 IFABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019333343 556737937 /nfs/dbraw/zinc/73/79/37/556737937.db2.gz GIHMIPLQPVBODL-FQEVSTJZSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339349 556739335 /nfs/dbraw/zinc/73/93/35/556739335.db2.gz VRBZQVJWRKMUGH-QFIPXVFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3ccccn3)nc2C1 ZINC000019400100 556752795 /nfs/dbraw/zinc/75/27/95/556752795.db2.gz DBVCWNNMEAXXCS-SFHVURJKSA-N -1 3 449.536 2.792 40 0 IFABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)CC[C@@H]5CCCO5)CC4)[n-]n3c(=O)c2C1 ZINC000019448143 556757087 /nfs/dbraw/zinc/75/70/87/556757087.db2.gz LWKYKXFWPCUQID-SFHVURJKSA-N -1 3 441.576 2.867 40 0 IFABHM C[C@@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2)c1ccccc1 ZINC000019459278 556766962 /nfs/dbraw/zinc/76/69/62/556766962.db2.gz XIEYBRVGLVUATI-IERDGZPVSA-N -1 3 434.540 2.922 40 0 IFABHM CC(C)(C)C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)CC1 ZINC000001324883 556770706 /nfs/dbraw/zinc/77/07/06/556770706.db2.gz NOXOSDVBXASDOT-UHFFFAOYSA-N -1 3 428.924 2.968 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4ccccc4)CC2)[n-]c3=O)cc1 ZINC000001324680 556770878 /nfs/dbraw/zinc/77/08/78/556770878.db2.gz WNXRNFCQLSNTDQ-UHFFFAOYSA-N -1 3 428.496 2.891 40 0 IFABHM CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1 ZINC000019500092 556772164 /nfs/dbraw/zinc/77/21/64/556772164.db2.gz MEWPOLJRIDJJRU-INIZCTEOSA-N -1 3 440.519 2.860 40 0 IFABHM CC(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000001334756 556775841 /nfs/dbraw/zinc/77/58/41/556775841.db2.gz CVOXQYBQJNBHFB-OAHLLOKOSA-N -1 3 428.924 2.968 40 0 IFABHM COc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001335012 556776056 /nfs/dbraw/zinc/77/60/56/556776056.db2.gz YNNQAENLXSDTPM-KRWDZBQOSA-N -1 3 444.495 2.591 40 0 IFABHM O=C(C1CC1)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000001334860 556776129 /nfs/dbraw/zinc/77/61/29/556776129.db2.gz XNMREHKXQKVWBP-GFCCVEGCSA-N -1 3 447.326 2.986 40 0 IFABHM CC(C)(C)C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001352080 556780673 /nfs/dbraw/zinc/78/06/73/556780673.db2.gz UFHPGJGVCBGPMZ-AWEZNQCLSA-N -1 3 428.924 2.968 40 0 IFABHM COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)cc(OC)c1OC ZINC000019549523 556794377 /nfs/dbraw/zinc/79/43/77/556794377.db2.gz FIGSCXZJIZJRDU-QGZVFWFLSA-N -1 3 436.468 2.835 40 0 IFABHM COc1ccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(OC)c1 ZINC000019551894 556796030 /nfs/dbraw/zinc/79/60/30/556796030.db2.gz KKILTWMHYIOQBZ-UHFFFAOYSA-N -1 3 426.498 2.930 40 0 IFABHM Cc1nn(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)c(C)c1C ZINC000019556494 556799018 /nfs/dbraw/zinc/79/90/18/556799018.db2.gz GCPCWQADSIUDMA-FQEVSTJZSA-N -1 3 426.565 2.824 40 0 IFABHM COc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(N3CCCC3)n2)c2ccc(F)cc2)cn1 ZINC000019561897 556803356 /nfs/dbraw/zinc/80/33/56/556803356.db2.gz HTBFQVWRRAYJTI-LJQANCHMSA-N -1 3 437.475 2.627 40 0 IFABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000059816866 556804753 /nfs/dbraw/zinc/80/47/53/556804753.db2.gz AUGWQUXFVSSKIN-DVOMOZLQSA-N -1 3 425.489 2.610 40 0 IFABHM CSCC[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573952 556814057 /nfs/dbraw/zinc/81/40/57/556814057.db2.gz ZORDBZYVDVBDLC-FUHWJXTLSA-N -1 3 449.536 2.868 40 0 IFABHM Cc1ncccc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)CC1 ZINC000019582837 556820396 /nfs/dbraw/zinc/82/03/96/556820396.db2.gz GXVWONTVTRJOPB-UHFFFAOYSA-N -1 3 434.544 2.925 40 0 IFABHM CCCC(=O)N1CCc2nc(C3CCN(Cc4nc5ccccc5n4C)CC3)[n-]c(=O)c2C1 ZINC000072398749 556970717 /nfs/dbraw/zinc/97/07/17/556970717.db2.gz BUTBGNAJZMREOD-UHFFFAOYSA-N -1 3 448.571 2.721 40 0 IFABHM O=C(C1CC1)N1CCc2nc(C3CCN(Cc4ccc(F)cc4F)CC3)[n-]c(=O)c2C1 ZINC000072399003 556971216 /nfs/dbraw/zinc/97/12/16/556971216.db2.gz LBBCHXADRDVUPC-UHFFFAOYSA-N -1 3 428.483 2.722 40 0 IFABHM CCC(CC)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000072399110 556971517 /nfs/dbraw/zinc/97/15/17/556971517.db2.gz MOZDOMCIJSUVPH-HXUWFJFHSA-N -1 3 437.544 2.853 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1 ZINC000409390169 557101429 /nfs/dbraw/zinc/10/14/29/557101429.db2.gz JVQDPDHFPBNKJW-UHFFFAOYSA-N -1 3 441.509 2.976 40 0 IFABHM CCn1nc([O-])c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(OC)cc1 ZINC000100141766 557242531 /nfs/dbraw/zinc/24/25/31/557242531.db2.gz CADQNNJNBWGYBC-QQTULTPQSA-N -1 3 431.496 2.902 40 0 IFABHM CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(C2CCOCC2)CC4)C1 ZINC000100233636 557250384 /nfs/dbraw/zinc/25/03/84/557250384.db2.gz PEPVHGJNVGBOSM-MRXNPFEDSA-N -1 3 441.576 2.724 40 0 IFABHM CCc1nc2sc3c(c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1)CCCC3 ZINC000013510527 557331973 /nfs/dbraw/zinc/33/19/73/557331973.db2.gz KHRBXJIXFUSVMW-UHFFFAOYSA-N -1 3 431.543 2.548 40 0 IFABHM NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000222678008 557372811 /nfs/dbraw/zinc/37/28/11/557372811.db2.gz FPGBICHYNOEAAQ-UHFFFAOYSA-N -1 3 439.493 2.533 40 0 IFABHM CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 ZINC000223218095 557447166 /nfs/dbraw/zinc/44/71/66/557447166.db2.gz WCHFJQBDIJWLTA-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(C(=O)OC)cc3)n2)cc1 ZINC000223637682 557495000 /nfs/dbraw/zinc/49/50/00/557495000.db2.gz XJLHESOTWBRHMR-UHFFFAOYSA-N -1 3 431.470 2.542 40 0 IFABHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000224161796 557568764 /nfs/dbraw/zinc/56/87/64/557568764.db2.gz AEHMCUXGKCJNJA-LBPRGKRZSA-N -1 3 448.526 2.847 40 0 IFABHM COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)CC(C)(C)O2 ZINC000225278332 557708213 /nfs/dbraw/zinc/70/82/13/557708213.db2.gz CVUAYGSFWQRVOF-CYBMUJFWSA-N -1 3 440.547 2.722 40 0 IFABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000225834171 557783125 /nfs/dbraw/zinc/78/31/25/557783125.db2.gz IMFZZNRGFLXVBW-LBPRGKRZSA-N -1 3 428.536 2.579 40 0 IFABHM CCOc1cc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC ZINC000225865099 557786863 /nfs/dbraw/zinc/78/68/63/557786863.db2.gz BRHCWJNLWWOMAE-UHFFFAOYSA-N -1 3 448.526 2.676 40 0 IFABHM COc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3cccnc3)[C@@H]2O)c1[O-] ZINC000257243747 568685500 /nfs/dbraw/zinc/68/55/00/568685500.db2.gz IIJZMFCGCJRYSD-IIDMSEBBSA-N -1 3 437.290 2.601 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1 ZINC000033717683 569246147 /nfs/dbraw/zinc/24/61/47/569246147.db2.gz ZCTGECZAFXQTIC-UHFFFAOYSA-N -1 3 427.482 2.586 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000139109657 569254733 /nfs/dbraw/zinc/25/47/33/569254733.db2.gz QEJGZXVOGCBZPE-GOEBONIOSA-N -1 3 425.489 2.612 40 0 IFABHM COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Br)c1[O-] ZINC000205911242 569255726 /nfs/dbraw/zinc/25/57/26/569255726.db2.gz UTIZBBHXWLYVQI-MDWZMJQESA-N -1 3 441.303 2.822 40 0 IFABHM COC(=O)Cn1cc(CN2CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C2)c2ccccc21 ZINC000012117868 523396310 /nfs/dbraw/zinc/39/63/10/523396310.db2.gz OFQQGEYIQJQMHQ-UHFFFAOYSA-N -1 3 449.555 2.692 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[n-]2)C1 ZINC000019134422 523848183 /nfs/dbraw/zinc/84/81/83/523848183.db2.gz JRVMMBRSXXXRMR-INIZCTEOSA-N -1 3 426.498 2.739 40 0 IFABHM Cc1nc(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)[n-]c(=O)c1C ZINC000012113679 526997640 /nfs/dbraw/zinc/99/76/40/526997640.db2.gz MLDHMFDXNBASHL-UHFFFAOYSA-N -1 3 430.452 2.671 40 0 IFABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 ZINC000408598021 555956331 /nfs/dbraw/zinc/95/63/31/555956331.db2.gz YWBUEICXKFJFKB-UHFFFAOYSA-N -1 3 428.514 2.578 40 0 IFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408595672 555962269 /nfs/dbraw/zinc/96/22/69/555962269.db2.gz SOGBJOAUFNVPAT-ZDUSSCGKSA-N -1 3 442.921 2.679 40 0 IFABHM COCCNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408607874 555971818 /nfs/dbraw/zinc/97/18/18/555971818.db2.gz QTNPJOYXEFPWTM-INIZCTEOSA-N -1 3 431.341 2.646 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCOC)c(Cl)c2)cc1 ZINC000408636073 556018663 /nfs/dbraw/zinc/01/86/63/556018663.db2.gz KXSHYRSNYGLOPU-UHFFFAOYSA-N -1 3 442.921 2.681 40 0 IFABHM CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1 ZINC000408660704 556040961 /nfs/dbraw/zinc/04/09/61/556040961.db2.gz VBXJPLLSNFWUJK-HNNXBMFYSA-N -1 3 443.887 2.578 40 0 IFABHM N=C(Nc1ccc(F)cc1)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[n-]1 ZINC000009935221 556318641 /nfs/dbraw/zinc/31/86/41/556318641.db2.gz LXJHHLHTMLUJJC-UHFFFAOYSA-N -1 3 437.464 2.636 40 0 IFABHM COc1cc2c(cc1OC)[C@]1(O)C(=O)c3c([O-])cc4c(c3O[C@H]1CO2)C=CC(C)(C)O4 ZINC000014721538 556435817 /nfs/dbraw/zinc/43/58/17/556435817.db2.gz OFLCPNIRDVOOEZ-FDDCHVKYSA-N -1 3 426.421 2.818 40 0 IFABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828434 556620323 /nfs/dbraw/zinc/62/03/23/556620323.db2.gz AUGWQUXFVSSKIN-ZENOOKHLSA-N -1 3 425.489 2.610 40 0 IFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[n-]c(=O)c21 ZINC000040399839 556642726 /nfs/dbraw/zinc/64/27/26/556642726.db2.gz NBTABXBBBVMYBW-HNNXBMFYSA-N -1 3 449.467 2.985 40 0 IFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1 ZINC000040399845 556642732 /nfs/dbraw/zinc/64/27/32/556642732.db2.gz APAWQQYTAACHEL-QGZVFWFLSA-N -1 3 447.451 2.789 40 0 IFABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000040400405 556643365 /nfs/dbraw/zinc/64/33/65/556643365.db2.gz JGTOPKYJTGUPEB-QGZVFWFLSA-N -1 3 446.467 2.845 40 0 IFABHM CCCn1nnnc1[N-]C(=O)COc1c(C)cc(Br)cc1Br ZINC000017098296 556663024 /nfs/dbraw/zinc/66/30/24/556663024.db2.gz UEEGZHKBWWSTAN-UHFFFAOYSA-N -1 3 433.104 2.934 40 0 IFABHM Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)on1 ZINC000019119803 556700891 /nfs/dbraw/zinc/70/08/91/556700891.db2.gz BJWQZSNAIAOSBA-QGZVFWFLSA-N -1 3 441.532 2.860 40 0 IFABHM COc1cc(C)ccc1CN1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133891 556705308 /nfs/dbraw/zinc/70/53/08/556705308.db2.gz NJYDQXKRYYWSNB-IBGZPJMESA-N -1 3 436.556 2.761 40 0 IFABHM Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)c1 ZINC000019234757 556719080 /nfs/dbraw/zinc/71/90/80/556719080.db2.gz PQUSOVVGYYRQQP-OAQYLSRUSA-N -1 3 434.540 2.669 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3CCCO3)[n-]c(=O)c2C1 ZINC000019238680 556723713 /nfs/dbraw/zinc/72/37/13/556723713.db2.gz UNNMZLDFUWJFHS-QFBILLFUSA-N -1 3 442.585 2.931 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccn3)[n-]c(=O)c2C1 ZINC000019238683 556723904 /nfs/dbraw/zinc/72/39/04/556723904.db2.gz PPIXQIHGXFARTL-FQEVSTJZSA-N -1 3 449.580 2.999 40 0 IFABHM O=C(c1cccnc1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019337508 556738841 /nfs/dbraw/zinc/73/88/41/556738841.db2.gz BDFNVOAMHCFDCY-KRWDZBQOSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019348121 556743852 /nfs/dbraw/zinc/74/38/52/556743852.db2.gz KXBQCMVTLAAZKK-QFIPXVFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019348123 556743886 /nfs/dbraw/zinc/74/38/86/556743886.db2.gz KXBQCMVTLAAZKK-JOCHJYFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019370656 556748263 /nfs/dbraw/zinc/74/82/63/556748263.db2.gz BPKYFPRIAMRGNY-NRFANRHFSA-N -1 3 443.551 2.672 40 0 IFABHM O=C(c1ccccn1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019399993 556752653 /nfs/dbraw/zinc/75/26/53/556752653.db2.gz FKVFDMZFAUFBFZ-INIZCTEOSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)C3CCCCC3)nc2C1 ZINC000019404966 556754883 /nfs/dbraw/zinc/75/48/83/556754883.db2.gz RXJDDFUGQMUIDP-HXUWFJFHSA-N -1 3 435.528 2.607 40 0 IFABHM O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404969 556754888 /nfs/dbraw/zinc/75/48/88/556754888.db2.gz XYEJFLAIZNFVFT-FQEVSTJZSA-N -1 3 435.528 2.607 40 0 IFABHM O=C(CC1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404975 556754921 /nfs/dbraw/zinc/75/49/21/556754921.db2.gz WKRJEIPWQSBCJZ-NRFANRHFSA-N -1 3 449.555 2.997 40 0 IFABHM COc1cc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)on1 ZINC000019448333 556757366 /nfs/dbraw/zinc/75/73/66/556757366.db2.gz OPQKEYXPTUAKEU-GOSISDBHSA-N -1 3 429.521 2.632 40 0 IFABHM Cc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)CC2)c1 ZINC000001325119 556771050 /nfs/dbraw/zinc/77/10/50/556771050.db2.gz DUOWDNDRFFATAU-UHFFFAOYSA-N -1 3 428.496 2.891 40 0 IFABHM CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019499816 556771531 /nfs/dbraw/zinc/77/15/31/556771531.db2.gz UOQXRQHILHJIBP-HUUCEWRRSA-N -1 3 428.558 2.782 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)Cc4ccccc4)C2)[n-]c3=O)cc1 ZINC000001334220 556775807 /nfs/dbraw/zinc/77/58/07/556775807.db2.gz KYIGTZVRWZUOAH-HXUWFJFHSA-N -1 3 442.523 2.820 40 0 IFABHM Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334975 556775966 /nfs/dbraw/zinc/77/59/66/556775966.db2.gz JQTKXRGXLRUZQR-GOSISDBHSA-N -1 3 428.496 2.891 40 0 IFABHM CCc1c(C)nc([C@@H]2CCCN2C(=O)c2cccc(N3CCCCS3(=O)=O)c2)[n-]c1=O ZINC000019521598 556778270 /nfs/dbraw/zinc/77/82/70/556778270.db2.gz YEOUPMDYSUGPCI-IBGZPJMESA-N -1 3 444.557 2.548 40 0 IFABHM CCCn1ncc(CN2CCC(n3nnc4c3nc(CSCC)[n-]c4=O)CC2)c1C ZINC000019525937 556783878 /nfs/dbraw/zinc/78/38/78/556783878.db2.gz CBYJLBCSSRZOQY-UHFFFAOYSA-N -1 3 430.582 2.932 40 0 IFABHM O=C(NC1CCCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001359234 556786236 /nfs/dbraw/zinc/78/62/36/556786236.db2.gz IAQAMRNKWIRIAV-KRWDZBQOSA-N -1 3 435.532 2.785 40 0 IFABHM COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[n-]2)cc(OC)c1OC ZINC000019549529 556794642 /nfs/dbraw/zinc/79/46/42/556794642.db2.gz VKJFRDAMSYMBOU-KRWDZBQOSA-N -1 3 436.468 2.835 40 0 IFABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1F ZINC000019559550 556801313 /nfs/dbraw/zinc/80/13/13/556801313.db2.gz HRFQIXJFFXFNIK-UHFFFAOYSA-N -1 3 428.489 2.990 40 0 IFABHM COc1ccc(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)cc1OC ZINC000019560386 556801817 /nfs/dbraw/zinc/80/18/17/556801817.db2.gz KZIKUTXBZVOOHM-UHFFFAOYSA-N -1 3 440.525 2.859 40 0 IFABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000059816919 556804606 /nfs/dbraw/zinc/80/46/06/556804606.db2.gz YIAMWWRGSRWYIH-HEHGZKQESA-N -1 3 425.489 2.610 40 0 IFABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000059816869 556804655 /nfs/dbraw/zinc/80/46/55/556804655.db2.gz AUGWQUXFVSSKIN-HEHGZKQESA-N -1 3 425.489 2.610 40 0 IFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4ccncc4)C3)[n-]c(=O)c2C1 ZINC000019570615 556810793 /nfs/dbraw/zinc/81/07/93/556810793.db2.gz GMSDZPDVNXLKLA-LJQANCHMSA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccc(CC(=O)N2CC[C@H](c3nc(-c4cccnc4OC)cc(=O)[n-]3)C2)cc1C ZINC000019571044 556811149 /nfs/dbraw/zinc/81/11/49/556811149.db2.gz IMCKBWODDVHJJR-KRWDZBQOSA-N -1 3 434.496 2.716 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c(-c4cccnc4)nc3C2)cc1CN1CCCC1 ZINC000072336820 556909424 /nfs/dbraw/zinc/90/94/24/556909424.db2.gz MSTUAUVFUQZEER-UHFFFAOYSA-N -1 3 431.540 2.995 40 0 IFABHM CN(C)S(=O)(=O)N1CCC[C@H](c2ccnc([N-]c3ncccc3C(F)(F)F)n2)C1 ZINC000072377827 556956371 /nfs/dbraw/zinc/95/63/71/556956371.db2.gz VTQQMQIRZBHYLB-LBPRGKRZSA-N -1 3 430.456 2.620 40 0 IFABHM O=c1cc([C@@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccccn2)[n-]1 ZINC000072393250 556964597 /nfs/dbraw/zinc/96/45/97/556964597.db2.gz ROBRHKVZENMLPY-LJQANCHMSA-N -1 3 431.544 2.992 40 0 IFABHM O=C(C1CCOCC1)N1CCc2nc(C3CCN(Cc4ccsc4)CC3)[n-]c(=O)c2C1 ZINC000072399019 556971463 /nfs/dbraw/zinc/97/14/63/556971463.db2.gz SWVLDZCRUMWTLN-UHFFFAOYSA-N -1 3 442.585 2.522 40 0 IFABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)CC1 ZINC000257311036 557003969 /nfs/dbraw/zinc/00/39/69/557003969.db2.gz UHRDAPYWOHFAAA-ZWOKBUDYSA-N -1 3 442.560 2.736 40 0 IFABHM O=C(CN1C(=O)N/C(=C/c2cc(Br)ccc2[O-])C1=O)Nc1ccccc1F ZINC000409214200 557008680 /nfs/dbraw/zinc/00/86/80/557008680.db2.gz WODRNGHKUCFGQT-RIYZIHGNSA-N -1 3 434.221 2.825 40 0 IFABHM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Cl)c1[O-] ZINC000409231060 557022758 /nfs/dbraw/zinc/02/27/58/557022758.db2.gz HZPOYGUESGDHFE-OQLLNIDSSA-N -1 3 445.859 2.984 40 0 IFABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 ZINC000409390111 557101386 /nfs/dbraw/zinc/10/13/86/557101386.db2.gz JLCBVLKMLLGSRT-SNVBAGLBSA-N -1 3 431.297 2.705 40 0 IFABHM O=C(NCCCN1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216237570 557140959 /nfs/dbraw/zinc/14/09/59/557140959.db2.gz QZDLWSVGSIFHHE-UHFFFAOYSA-N -1 3 437.949 2.593 40 0 IFABHM COc1ccc(-c2noc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)n2)cc1 ZINC000219287323 557235748 /nfs/dbraw/zinc/23/57/48/557235748.db2.gz LXCNNUDOSNYHRR-UHFFFAOYSA-N -1 3 436.877 2.700 40 0 IFABHM CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5ccncc5)CC4)[n-]n3c(=O)c2C1 ZINC000100232657 557249901 /nfs/dbraw/zinc/24/99/01/557249901.db2.gz JSKOKSZHJQNQBP-UHFFFAOYSA-N -1 3 434.544 2.894 40 0 IFABHM O=C(C1CC1)N1CCc2nc3cc(C4CCN(Cc5cccnc5)CC4)[n-]n3c(=O)c2C1 ZINC000100232603 557249918 /nfs/dbraw/zinc/24/99/18/557249918.db2.gz NTEBRMZGOKZUEY-UHFFFAOYSA-N -1 3 432.528 2.504 40 0 IFABHM CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(C2CCOCC2)CC4)C1 ZINC000100233633 557250313 /nfs/dbraw/zinc/25/03/13/557250313.db2.gz PEPVHGJNVGBOSM-INIZCTEOSA-N -1 3 441.576 2.724 40 0 IFABHM CCc1nc2sc3c(c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1)CC[C@H](C)C3 ZINC000013510584 557332290 /nfs/dbraw/zinc/33/22/90/557332290.db2.gz RIRARBQQLDZFDF-VIFPVBQESA-N -1 3 445.570 2.794 40 0 IFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000223134401 557436909 /nfs/dbraw/zinc/43/69/09/557436909.db2.gz WQKCYJMHGBXJJC-UHFFFAOYSA-N -1 3 438.918 2.931 40 0 IFABHM CN(C)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000223304627 557457254 /nfs/dbraw/zinc/45/72/54/557457254.db2.gz HUQMFWYFQVTMRG-UHFFFAOYSA-N -1 3 431.283 2.856 40 0 IFABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1NC(C)=O ZINC000224310368 557588935 /nfs/dbraw/zinc/58/89/35/557588935.db2.gz XARQPLYOLZAWMW-UHFFFAOYSA-N -1 3 434.587 2.920 40 0 IFABHM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)ccc21 ZINC000225017648 557678459 /nfs/dbraw/zinc/67/84/59/557678459.db2.gz JNULRKZZQZZCOZ-UHFFFAOYSA-N -1 3 427.526 2.623 40 0 IFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1OC ZINC000225162116 557694511 /nfs/dbraw/zinc/69/45/11/557694511.db2.gz DLKIAWQYSYMUSH-UHFFFAOYSA-N -1 3 448.526 2.595 40 0 IFABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1[N-]S(C)(=O)=O ZINC000225416209 557720386 /nfs/dbraw/zinc/72/03/86/557720386.db2.gz GNNLRDGHIRGISR-MOPGFXCFSA-N -1 3 443.554 2.967 40 0 IFABHM CC(C)(C)c1ccc(OCC(=O)[O-])c(CN2CCC[C@@H]3[C@H]2CCCCN3CC(N)=O)c1 ZINC000257288588 568706386 /nfs/dbraw/zinc/70/63/86/568706386.db2.gz PUWDGCUYMREAAU-WOJBJXKFSA-N -1 3 431.577 2.752 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)nc2C1 ZINC000247952988 569206696 /nfs/dbraw/zinc/20/66/96/569206696.db2.gz UGDAXLDIUINBEU-KJNZLNQQSA-N -1 3 447.539 2.875 40 0 IFABHM Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1C ZINC000138667850 569254034 /nfs/dbraw/zinc/25/40/34/569254034.db2.gz BMOQTEUWDBRASP-HNNXBMFYSA-N -1 3 443.887 2.632 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000139109541 569254792 /nfs/dbraw/zinc/25/47/92/569254792.db2.gz QEJGZXVOGCBZPE-GDBMZVCRSA-N -1 3 425.489 2.612 40 0 IFABHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(I)cc1 ZINC000002674866 132256127 /nfs/dbraw/zinc/25/61/27/132256127.db2.gz ZYBWGKJIGLOASS-UHFFFAOYSA-N -1 3 444.294 2.929 40 0 IFABHM COc1ccccc1N1CCN(c2nc(CSc3nnc(C)s3)cc(=O)[n-]2)CC1 ZINC000013611386 132351831 /nfs/dbraw/zinc/35/18/31/132351831.db2.gz SFPAZMXLJNEUMZ-UHFFFAOYSA-N -1 3 430.559 2.557 40 0 IFABHM COc1ccc(C([O-])=C2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035092929 523779857 /nfs/dbraw/zinc/77/98/57/523779857.db2.gz MFKHXFHMYVBDGS-JTDSTZFVSA-N -1 3 440.374 2.513 40 0 IFABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 ZINC000408592189 555953590 /nfs/dbraw/zinc/95/35/90/555953590.db2.gz KMAGIESOYGIPMJ-UHFFFAOYSA-N -1 3 442.541 2.886 40 0 IFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408598035 555956295 /nfs/dbraw/zinc/95/62/95/555956295.db2.gz ZAWOVTWCUWRTSX-GFCCVEGCSA-N -1 3 430.885 2.810 40 0 IFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408593452 555959554 /nfs/dbraw/zinc/95/95/54/555959554.db2.gz NRNQAHFRMCUEGY-CQSZACIVSA-N -1 3 426.922 2.979 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2)cc1 ZINC000408594391 555960796 /nfs/dbraw/zinc/96/07/96/555960796.db2.gz QFUDQBXEVGCCCO-UHFFFAOYSA-N -1 3 442.541 2.886 40 0 IFABHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cc1 ZINC000408596185 555963242 /nfs/dbraw/zinc/96/32/42/555963242.db2.gz RMBYVXXQWLNGJK-OAHLLOKOSA-N -1 3 433.530 2.985 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1C ZINC000408597498 555965452 /nfs/dbraw/zinc/96/54/52/555965452.db2.gz XAYGARFVUAUEGT-UHFFFAOYSA-N -1 3 442.541 2.886 40 0 IFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408612774 555978006 /nfs/dbraw/zinc/97/80/06/555978006.db2.gz YSFAWSPYSIAVJV-AWEZNQCLSA-N -1 3 426.922 2.979 40 0 IFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000408611184 555981056 /nfs/dbraw/zinc/98/10/56/555981056.db2.gz VJDONPXGJVGMCA-NSHDSACASA-N -1 3 425.894 2.613 40 0 IFABHM Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c(C)c1 ZINC000408653574 556032420 /nfs/dbraw/zinc/03/24/20/556032420.db2.gz INSAAGZQWHOAIM-OAHLLOKOSA-N -1 3 443.887 2.632 40 0 IFABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3CCOCC3)cc2Cl)cc1 ZINC000038771320 556618887 /nfs/dbraw/zinc/61/88/87/556618887.db2.gz LYNPPVBCKLRDKG-UHFFFAOYSA-N -1 3 437.949 2.511 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000040390553 556637376 /nfs/dbraw/zinc/63/73/76/556637376.db2.gz WLZUNKFCSNMBFW-KGLIPLIRSA-N -1 3 425.489 2.612 40 0 IFABHM CCc1nn2c(nnc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(F)cc1 ZINC000040391763 556638173 /nfs/dbraw/zinc/63/81/73/556638173.db2.gz IPDKPVZICPFVHQ-UHFFFAOYSA-N -1 3 429.415 2.587 40 0 IFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[n-]c(=O)c21 ZINC000040399837 556642713 /nfs/dbraw/zinc/64/27/13/556642713.db2.gz NBTABXBBBVMYBW-OAHLLOKOSA-N -1 3 449.467 2.985 40 0 IFABHM COc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(OC)c1OC ZINC000044845333 556669407 /nfs/dbraw/zinc/66/94/07/556669407.db2.gz CYRCNWJTWJEABU-UHFFFAOYSA-N -1 3 428.894 2.667 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1 ZINC000019134412 556705283 /nfs/dbraw/zinc/70/52/83/556705283.db2.gz ROLVRTJYACXHAJ-OAHLLOKOSA-N -1 3 426.498 2.739 40 0 IFABHM Cn1cc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)CC2CCCCC2)CC3)cn1 ZINC000019290693 556730939 /nfs/dbraw/zinc/73/09/39/556730939.db2.gz DBBSGEXATRLORG-OAQYLSRUSA-N -1 3 438.576 2.696 40 0 IFABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4cc(F)ccc4F)C3)[n-]c(=O)c2C1 ZINC000019293043 556732417 /nfs/dbraw/zinc/73/24/17/556732417.db2.gz XHAWOOWPWAVXAY-OAHLLOKOSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(Cc1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019293724 556733269 /nfs/dbraw/zinc/73/32/69/556733269.db2.gz KSCVYLLMYJLFHC-FQEVSTJZSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019333348 556737800 /nfs/dbraw/zinc/73/78/00/556737800.db2.gz GIHMIPLQPVBODL-HXUWFJFHSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019339125 556739420 /nfs/dbraw/zinc/73/94/20/556739420.db2.gz LQRQWEXVYHHVOT-KRWDZBQOSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3CCC3)nc2C1 ZINC000019342841 556740662 /nfs/dbraw/zinc/74/06/62/556740662.db2.gz DPWWVMFAHHJFOA-KRWDZBQOSA-N -1 3 426.542 2.884 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(CC4=CCCOC4)C3)[n-]c(=O)c2C1 ZINC000019342767 556740692 /nfs/dbraw/zinc/74/06/92/556740692.db2.gz PIJHWPCLTKYWFK-KRWDZBQOSA-N -1 3 440.569 2.556 40 0 IFABHM O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343664 556741607 /nfs/dbraw/zinc/74/16/07/556741607.db2.gz JXQVRBVMMRDDRI-OALUTQOASA-N -1 3 428.558 2.622 40 0 IFABHM COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1[O-] ZINC000000915860 556746660 /nfs/dbraw/zinc/74/66/60/556746660.db2.gz BLCLFSADXUJFFI-UHFFFAOYSA-N -1 3 426.498 2.599 40 0 IFABHM O=C(CCc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019370781 556748203 /nfs/dbraw/zinc/74/82/03/556748203.db2.gz ZOCJKJMCQSKVDX-NRFANRHFSA-N -1 3 434.540 2.751 40 0 IFABHM O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404981 556754763 /nfs/dbraw/zinc/75/47/63/556754763.db2.gz RATWYQLILMRJJH-NRFANRHFSA-N -1 3 449.555 2.997 40 0 IFABHM C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459055 556766430 /nfs/dbraw/zinc/76/64/30/556766430.db2.gz FTQUUPWIGVPNNY-NQIIRXRSSA-N -1 3 443.551 2.843 40 0 IFABHM C[C@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2)c1ccccc1 ZINC000019459280 556766982 /nfs/dbraw/zinc/76/69/82/556766982.db2.gz XIEYBRVGLVUATI-KKSFZXQISA-N -1 3 434.540 2.922 40 0 IFABHM O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000001325064 556771132 /nfs/dbraw/zinc/77/11/32/556771132.db2.gz TVOSOVDURSXCLY-UHFFFAOYSA-N -1 3 447.326 2.986 40 0 IFABHM CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)CC)C2 ZINC000019499135 556771230 /nfs/dbraw/zinc/77/12/30/556771230.db2.gz KOHZZYLRQOVQRY-LJQANCHMSA-N -1 3 438.528 2.831 40 0 IFABHM CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1 ZINC000019500091 556772195 /nfs/dbraw/zinc/77/21/95/556772195.db2.gz MEWPOLJRIDJJRU-MRXNPFEDSA-N -1 3 440.519 2.860 40 0 IFABHM CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3OC)[n-]c2=O)C1 ZINC000019501666 556773361 /nfs/dbraw/zinc/77/33/61/556773361.db2.gz CUQLHSBXLJLHKB-IBGZPJMESA-N -1 3 438.528 2.831 40 0 IFABHM Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)s1 ZINC000019560124 556801844 /nfs/dbraw/zinc/80/18/44/556801844.db2.gz ADSZEBGAQMNASZ-KRWDZBQOSA-N -1 3 441.557 2.505 40 0 IFABHM COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000059816914 556804582 /nfs/dbraw/zinc/80/45/82/556804582.db2.gz YIAMWWRGSRWYIH-DVOMOZLQSA-N -1 3 425.489 2.610 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1C ZINC000019571428 556811614 /nfs/dbraw/zinc/81/16/14/556811614.db2.gz XZGQJPQUAXGEKA-LJQANCHMSA-N -1 3 446.573 2.792 40 0 IFABHM COc1ncc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)cn1 ZINC000019572015 556812243 /nfs/dbraw/zinc/81/22/43/556812243.db2.gz XPVSHRIUICNPHC-IBGZPJMESA-N -1 3 438.532 2.649 40 0 IFABHM Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(C)C)CC2 ZINC000019572188 556812507 /nfs/dbraw/zinc/81/25/07/556812507.db2.gz MUESHGYLFHQQJZ-LJQANCHMSA-N -1 3 439.560 2.632 40 0 IFABHM Cc1cc(CN2CCc3nc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)[n-]c(=O)c3C2)cs1 ZINC000072398975 556971096 /nfs/dbraw/zinc/97/10/96/556971096.db2.gz LQZSTGWFTIEAIT-FQEVSTJZSA-N -1 3 442.585 2.583 40 0 IFABHM Cc1ccc2occ(CN3CCc4c(nc(N5C[C@H](C)O[C@@H](C)C5)[n-]c4=O)C3)c(=O)c2c1 ZINC000257202577 556980406 /nfs/dbraw/zinc/98/04/06/556980406.db2.gz AMLRJHOGWVUOPT-HOTGVXAUSA-N -1 3 436.512 2.769 40 0 IFABHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c(=O)oc12 ZINC000208177866 557078647 /nfs/dbraw/zinc/07/86/47/557078647.db2.gz CXOCPHOCIPYECK-DLBZAZTESA-N -1 3 434.492 2.856 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000409390130 557101369 /nfs/dbraw/zinc/10/13/69/557101369.db2.gz JOJOPOBLGVAVIJ-IBGZPJMESA-N -1 3 434.514 2.560 40 0 IFABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000219287080 557235801 /nfs/dbraw/zinc/23/58/01/557235801.db2.gz WONCTAIFECTXMB-KRWDZBQOSA-N -1 3 444.962 2.996 40 0 IFABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000223868124 557523062 /nfs/dbraw/zinc/52/30/62/557523062.db2.gz FQVPOLYTHYPQFX-LLVKDONJSA-N -1 3 430.935 2.606 40 0 IFABHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000224161737 557568819 /nfs/dbraw/zinc/56/88/19/557568819.db2.gz AEHMCUXGKCJNJA-GFCCVEGCSA-N -1 3 448.526 2.847 40 0 IFABHM COc1ccc(C([O-])=C2[C@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027664404 557576382 /nfs/dbraw/zinc/57/63/82/557576382.db2.gz MFKHXFHMYVBDGS-GJYPPUQNSA-N -1 3 440.374 2.513 40 0 IFABHM COc1ccc2c(c1)C[C@H](C(=O)N1CCC(c3cncc([N-]c4ncccn4)n3)CC1)CO2 ZINC000257313625 568717112 /nfs/dbraw/zinc/71/71/12/568717112.db2.gz UTKBSXHSQGAZMA-SFHVURJKSA-N -1 3 446.511 2.976 40 0 IFABHM O=C1[N-][C@@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=C[NH2+][C@@H]2C=CC=C[C@@H]12 ZINC000226937056 569183046 /nfs/dbraw/zinc/18/30/46/569183046.db2.gz OYISWBUZQIPFQV-OGHNNQOOSA-N -1 3 440.813 2.545 40 0 IFABHM O=C1N[C@@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=CN[C@@H]2C=CC=C[C@@H]12 ZINC000226937056 569183047 /nfs/dbraw/zinc/18/30/47/569183047.db2.gz OYISWBUZQIPFQV-OGHNNQOOSA-N -1 3 440.813 2.545 40 0 IFABHM CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H]3CC34CCC4)[n-]c2=O)C1 ZINC000249682108 569207797 /nfs/dbraw/zinc/20/77/97/569207797.db2.gz BXAJVLVYKLQSJU-SJLPKXTDSA-N -1 3 448.589 2.522 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21 ZINC000253564241 569208829 /nfs/dbraw/zinc/20/88/29/569208829.db2.gz GHGHXLOTDDQLCQ-ZIAGYGMSSA-N -1 3 425.489 2.943 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000139119245 569254743 /nfs/dbraw/zinc/25/47/43/569254743.db2.gz YSHGITFKPHSHGR-HUUCEWRRSA-N -1 3 439.516 2.920 40 0 IFABHM CN(C)CCCNc1nc(-c2ccccc2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC000329010750 569582810 /nfs/dbraw/zinc/58/28/10/569582810.db2.gz MBETVLOEXQLIPQ-UHFFFAOYSA-N -1 3 442.545 3.193 40 0 IFABHM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccc([O-])cc3)C=C(C)C[C@@H]2O)[C@]1(O)C(C)C ZINC000105426732 291340729 /nfs/dbraw/zinc/34/07/29/291340729.db2.gz KHLABRVSJLTKHQ-MTLWNHQCSA-N -1 3 432.513 2.974 40 0 biogenic,in-vitro IFABHM COC(=O)Cn1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)c2ccccc21 ZINC000012117876 523395320 /nfs/dbraw/zinc/39/53/20/523395320.db2.gz YETLFRSGGURNGS-QGZVFWFLSA-N -1 3 449.555 2.692 40 0 IFABHM COc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(OC)c1OC ZINC000020460308 524066600 /nfs/dbraw/zinc/06/66/00/524066600.db2.gz SMZZLEHAVTXBSQ-UHFFFAOYSA-N -1 3 428.894 2.667 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(=O)N1CCCC1 ZINC000020459644 525083256 /nfs/dbraw/zinc/08/32/56/525083256.db2.gz MUWWDLCZPHZOPV-UHFFFAOYSA-N -1 3 443.525 2.859 40 0 IFABHM O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 ZINC000020463393 527628491 /nfs/dbraw/zinc/62/84/91/527628491.db2.gz JSQUXTPRVWIZLX-SFTDATJTSA-N -1 3 428.577 2.723 40 0 biogenic,in-vitro IFABHM Cc1nnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)s1 ZINC000408544500 555792424 /nfs/dbraw/zinc/79/24/24/555792424.db2.gz UHSJLXQIINSOMC-UHFFFAOYSA-N -1 3 441.336 2.841 40 0 IFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408557722 555895611 /nfs/dbraw/zinc/89/56/11/555895611.db2.gz HNWBFVWKDMHTAB-UHFFFAOYSA-N -1 3 442.921 2.681 40 0 IFABHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408601409 555969758 /nfs/dbraw/zinc/96/97/58/555969758.db2.gz AUBFMJJRFLUTAB-GFCCVEGCSA-N -1 3 440.905 2.831 40 0 IFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000408609467 555979815 /nfs/dbraw/zinc/97/98/15/555979815.db2.gz RMAURAKAMHHLGI-LLVKDONJSA-N -1 3 425.894 2.613 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)c(C)c2)cc1 ZINC000408679298 556073875 /nfs/dbraw/zinc/07/38/75/556073875.db2.gz VUMBOBNLKFTGRB-UHFFFAOYSA-N -1 3 441.509 2.895 40 0 IFABHM CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc([N-]S(C)(=O)=O)cc3)o2)cc1 ZINC000013496187 556509107 /nfs/dbraw/zinc/50/91/07/556509107.db2.gz KKXUOPJXRYKXOX-UHFFFAOYSA-N -1 3 447.542 2.905 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(OC)c1)CC(=O)N2 ZINC000040390503 556637284 /nfs/dbraw/zinc/63/72/84/556637284.db2.gz QAUQKLLMAGBFJF-HOCLYGCPSA-N -1 3 425.489 2.612 40 0 IFABHM COCc1nn2c(ncc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccccc1 ZINC000040396513 556639064 /nfs/dbraw/zinc/63/90/64/556639064.db2.gz MBCDYJJRHXXVDG-UHFFFAOYSA-N -1 3 426.436 2.637 40 0 IFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(C)ccc2OC)CC(=O)N3)cc1 ZINC000040399936 556642739 /nfs/dbraw/zinc/64/27/39/556642739.db2.gz ZTQARCLKVWLLGL-HNNXBMFYSA-N -1 3 449.467 2.904 40 0 IFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040400130 556642979 /nfs/dbraw/zinc/64/29/79/556642979.db2.gz KKQCXMNVRBLNSS-ZDUSSCGKSA-N -1 3 449.467 2.904 40 0 IFABHM COc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)c1 ZINC000040400150 556643000 /nfs/dbraw/zinc/64/30/00/556643000.db2.gz VYLZLYYMZOLZAX-AWEZNQCLSA-N -1 3 449.467 2.904 40 0 IFABHM CC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019046 556692987 /nfs/dbraw/zinc/69/29/87/556692987.db2.gz VTEUJFLRIXKZDS-OAQYLSRUSA-N -1 3 446.511 2.594 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4cccnc4)C3)cc(=O)[n-]2)CC1 ZINC000019085324 556698989 /nfs/dbraw/zinc/69/89/89/556698989.db2.gz XBQXHRDVZJURJP-IBGZPJMESA-N -1 3 437.544 2.959 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc(=O)[n-]2)CC1 ZINC000019085320 556699042 /nfs/dbraw/zinc/69/90/42/556699042.db2.gz RIZIWGJSLHJZHP-SFHVURJKSA-N -1 3 437.544 2.959 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)cc(=O)[n-]2)CC1 ZINC000019085335 556699337 /nfs/dbraw/zinc/69/93/37/556699337.db2.gz YLUQPSXEDUBQQX-LJQANCHMSA-N -1 3 437.544 2.959 40 0 IFABHM Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c1 ZINC000019235087 556719343 /nfs/dbraw/zinc/71/93/43/556719343.db2.gz SRTUUJMRTFHWBU-FQEVSTJZSA-N -1 3 430.574 2.512 40 0 IFABHM O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019293717 556733220 /nfs/dbraw/zinc/73/32/20/556733220.db2.gz IUCSBGIFYVGUEQ-QFIPXVFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C(=O)C4CCC4)C3)[n-]c(=O)c2C1 ZINC000019342743 556740769 /nfs/dbraw/zinc/74/07/69/556740769.db2.gz YBWAUHVAKHFOBT-HNNXBMFYSA-N -1 3 426.542 2.536 40 0 IFABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccc5c(c4)CCCO5)C3)[n-]c(=O)c2C1 ZINC000019345760 556742547 /nfs/dbraw/zinc/74/25/47/556742547.db2.gz VZIUIICUSXVTQK-HXUWFJFHSA-N -1 3 448.567 2.769 40 0 IFABHM O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccc5c(c4)CCCO5)C3)[n-]c(=O)c2C1 ZINC000019345762 556742596 /nfs/dbraw/zinc/74/25/96/556742596.db2.gz VZIUIICUSXVTQK-FQEVSTJZSA-N -1 3 448.567 2.769 40 0 IFABHM O=C(c1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019347549 556743063 /nfs/dbraw/zinc/74/30/63/556743063.db2.gz INHOSCYXIBVXFT-NRFANRHFSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019348151 556743702 /nfs/dbraw/zinc/74/37/02/556743702.db2.gz MYZLNFVLHYXQSR-HXUWFJFHSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(c1ccccn1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1 ZINC000019399990 556752529 /nfs/dbraw/zinc/75/25/29/556752529.db2.gz FKVFDMZFAUFBFZ-MRXNPFEDSA-N -1 3 435.553 2.805 40 0 IFABHM C[C@@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2)c1ccccc1 ZINC000019459274 556767003 /nfs/dbraw/zinc/76/70/03/556767003.db2.gz XIEYBRVGLVUATI-IIBYNOLFSA-N -1 3 434.540 2.922 40 0 IFABHM C[C@H](NC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2)c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000019497012 556769525 /nfs/dbraw/zinc/76/95/25/556769525.db2.gz RQXSZBJPPQJGGQ-AWEZNQCLSA-N -1 3 439.516 2.607 40 0 IFABHM O=C(Cc1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325114 556771042 /nfs/dbraw/zinc/77/10/42/556771042.db2.gz CZDQRLDXSNPQOJ-UHFFFAOYSA-N -1 3 428.496 2.512 40 0 IFABHM CCc1c(C)nc([C@H]2CCCN2C(=O)c2cccc(N3CCCCS3(=O)=O)c2)[n-]c1=O ZINC000019521599 556778261 /nfs/dbraw/zinc/77/82/61/556778261.db2.gz YEOUPMDYSUGPCI-LJQANCHMSA-N -1 3 444.557 2.548 40 0 IFABHM O=C(C1CCC1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1 ZINC000001352163 556780721 /nfs/dbraw/zinc/78/07/21/556780721.db2.gz HUZFVAXBNWYENH-UHFFFAOYSA-N -1 3 426.908 2.722 40 0 IFABHM CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C[C@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019524166 556781558 /nfs/dbraw/zinc/78/15/58/556781558.db2.gz QWPHMSAXUAZNNC-FXAWDEMLSA-N -1 3 436.560 2.678 40 0 IFABHM C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000072335572 556908522 /nfs/dbraw/zinc/90/85/22/556908522.db2.gz QNUMIIOHSBFBEM-GVDBMIGSSA-N -1 3 440.544 2.761 40 0 IFABHM COC(=O)Cn1cc(CN2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c2ccccc21 ZINC000072347481 556918611 /nfs/dbraw/zinc/91/86/11/556918611.db2.gz YETLFRSGGURNGS-KRWDZBQOSA-N -1 3 449.555 2.692 40 0 IFABHM COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000019934487 556950332 /nfs/dbraw/zinc/95/03/32/556950332.db2.gz RNXJKCLERMZCJN-UHFFFAOYSA-N -1 3 439.921 2.730 40 0 IFABHM COc1cc([C@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4C(C)C)c3C2)cc(OC)c1OC ZINC000019962320 556955913 /nfs/dbraw/zinc/95/59/13/556955913.db2.gz XVHPBSGSKRJYQE-GFCCVEGCSA-N -1 3 439.468 2.604 40 0 IFABHM CN(C)S(=O)(=O)N1CCC[C@@H](c2ccnc([N-]c3ncccc3C(F)(F)F)n2)C1 ZINC000072377828 556956418 /nfs/dbraw/zinc/95/64/18/556956418.db2.gz VTQQMQIRZBHYLB-GFCCVEGCSA-N -1 3 430.456 2.620 40 0 IFABHM CCCC(=O)N1CCc2nc(C3CCN(Cc4c(C)nc5ccccn54)CC3)[n-]c(=O)c2C1 ZINC000072398758 556970834 /nfs/dbraw/zinc/97/08/34/556970834.db2.gz INKAUYWKPCDUGE-UHFFFAOYSA-N -1 3 448.571 2.790 40 0 IFABHM CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(Cc2cnn(CC)c2)CC3)CC1 ZINC000072398935 556971038 /nfs/dbraw/zinc/97/10/38/556971038.db2.gz MQFDDIAVDVOBTB-UHFFFAOYSA-N -1 3 440.592 2.687 40 0 IFABHM CCC(CC)C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000072399111 556971478 /nfs/dbraw/zinc/97/14/78/556971478.db2.gz MOZDOMCIJSUVPH-FQEVSTJZSA-N -1 3 437.544 2.853 40 0 IFABHM CCCNC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000409216927 557011867 /nfs/dbraw/zinc/01/18/67/557011867.db2.gz MLMIUVUOIZZGRH-GHXNOFRVSA-N -1 3 446.266 2.559 40 0 IFABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc(Cl)c1[O-] ZINC000409217925 557012384 /nfs/dbraw/zinc/01/23/84/557012384.db2.gz RQXJFNWCWRMZGS-ZROIWOOFSA-N -1 3 428.894 2.633 40 0 IFABHM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000409239839 557021027 /nfs/dbraw/zinc/02/10/27/557021027.db2.gz FNKORXNRBUCMAX-RIYZIHGNSA-N -1 3 431.832 2.594 40 0 IFABHM Cc1c(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000216349428 557143757 /nfs/dbraw/zinc/14/37/57/557143757.db2.gz LXJJNHYDLBNIFD-UHFFFAOYSA-N -1 3 434.905 2.762 40 0 IFABHM CC(C)C(=O)N1CCc2nc3cc(C4CCN(Cc5cccnc5)CC4)[n-]n3c(=O)c2C1 ZINC000100232620 557250050 /nfs/dbraw/zinc/25/00/50/557250050.db2.gz NCGHIOKMWIUMHA-UHFFFAOYSA-N -1 3 434.544 2.750 40 0 IFABHM COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000222681603 557373499 /nfs/dbraw/zinc/37/34/99/557373499.db2.gz HXOZNUAXQVNTSK-UHFFFAOYSA-N -1 3 438.918 2.931 40 0 IFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccco4)C2)[n-]c3=O)c1 ZINC000015907299 557466422 /nfs/dbraw/zinc/46/64/22/557466422.db2.gz VVIUTJBSGQZZCZ-INIZCTEOSA-N -1 3 432.484 2.793 40 0 IFABHM O=C(Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1)c1ccccc1Cl ZINC000223566070 557487109 /nfs/dbraw/zinc/48/71/09/557487109.db2.gz SRDYHKOPMJYGFX-UHFFFAOYSA-N -1 3 443.982 2.598 40 0 IFABHM CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000223668365 557499741 /nfs/dbraw/zinc/49/97/41/557499741.db2.gz XUGOSMMZGCASMO-UHFFFAOYSA-N -1 3 443.569 2.979 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(CN3CCCC3=O)cc2)c1 ZINC000223866245 557522517 /nfs/dbraw/zinc/52/25/17/557522517.db2.gz BNOOTXDNYFTJOI-UHFFFAOYSA-N -1 3 436.917 2.728 40 0 IFABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000224911072 557666118 /nfs/dbraw/zinc/66/61/18/557666118.db2.gz POHOZUPNMUWESF-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1OC ZINC000225162172 557694534 /nfs/dbraw/zinc/69/45/34/557694534.db2.gz ORABWERIVOYORO-UHFFFAOYSA-N -1 3 448.526 2.595 40 0 IFABHM COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1[N-]S(C)(=O)=O ZINC000225416297 557720642 /nfs/dbraw/zinc/72/06/42/557720642.db2.gz GNNLRDGHIRGISR-RTBURBONSA-N -1 3 443.554 2.967 40 0 IFABHM COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000044884016 568614587 /nfs/dbraw/zinc/61/45/87/568614587.db2.gz BCHCCDFUPWQNKF-UHFFFAOYSA-N -1 3 439.921 2.730 40 0 IFABHM COc1cc(Br)cc(C(=O)N[C@@H]2CCC[C@@H](Oc3cccnc3)[C@@H]2O)c1[O-] ZINC000257214040 568671702 /nfs/dbraw/zinc/67/17/02/568671702.db2.gz CKGIPLHSYDLLRW-IIDMSEBBSA-N -1 3 437.290 2.649 40 0 IFABHM CC1(C(=O)N2CCC[C@@H]2c2[n-]ncc2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000257248211 568687642 /nfs/dbraw/zinc/68/76/42/568687642.db2.gz JCQKBRHRSYUMHS-GOSISDBHSA-N -1 3 430.574 2.779 40 0 IFABHM CC1(C(=O)N2CCC[C@@H]2c2n[n-]cc2S(C)(=O)=O)CCN(Cc2ccccc2)CC1 ZINC000257248211 568687643 /nfs/dbraw/zinc/68/76/43/568687643.db2.gz JCQKBRHRSYUMHS-GOSISDBHSA-N -1 3 430.574 2.779 40 0 IFABHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257269348 568697275 /nfs/dbraw/zinc/69/72/75/568697275.db2.gz MPOZFTMREPVWIH-OAHLLOKOSA-N -1 3 435.406 2.701 40 0 IFABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(C(=O)c2ccccc2CN2CCCCC2)C1 ZINC000257283857 568703825 /nfs/dbraw/zinc/70/38/25/568703825.db2.gz PADRITBKCMTVBY-GOSISDBHSA-N -1 3 444.601 2.894 40 0 IFABHM O=C(C1CCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[n-]2)C1 ZINC000001334683 568897872 /nfs/dbraw/zinc/89/78/72/568897872.db2.gz AONZOJJZWIFUMG-HNNXBMFYSA-N -1 3 426.908 2.722 40 0 IFABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000247797109 569206236 /nfs/dbraw/zinc/20/62/36/569206236.db2.gz CZRQCSFQSMBRPC-IWQHBPENSA-N -1 3 433.556 2.888 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000139108493 569254709 /nfs/dbraw/zinc/25/47/09/569254709.db2.gz GRBSWAYYMRBNTN-IAGOWNOFSA-N -1 3 437.500 2.806 40 0 IFABHM COc1ccccc1N1CCN(CC[C@H]2CN(C(=O)NC(C)C)CC[C@H]2CC(=O)[O-])CC1 ZINC000012481541 524553498 /nfs/dbraw/zinc/55/34/98/524553498.db2.gz USSRMIKINLEDKW-PMACEKPBSA-N -1 3 446.592 2.738 40 0 biogenic,in-vitro IFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NC[C@H]1CCCO1 ZINC000408597611 555965318 /nfs/dbraw/zinc/96/53/18/555965318.db2.gz ZOHCFOFAIMTINX-OAHLLOKOSA-N -1 3 442.896 2.954 40 0 IFABHM CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000408612740 555978047 /nfs/dbraw/zinc/97/80/47/555978047.db2.gz YOIYQIBOVUWBES-JTQLQIEISA-N -1 3 431.283 2.902 40 0 IFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000408611182 555981124 /nfs/dbraw/zinc/98/11/24/555981124.db2.gz VJDONPXGJVGMCA-LLVKDONJSA-N -1 3 425.894 2.613 40 0 IFABHM COc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1 ZINC000408627069 555997719 /nfs/dbraw/zinc/99/77/19/555997719.db2.gz XUTSEZPSZKCJEN-LLVKDONJSA-N -1 3 428.894 2.671 40 0 IFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408636940 556019873 /nfs/dbraw/zinc/01/98/73/556019873.db2.gz WNNBUKFOYLMJSH-CYBMUJFWSA-N -1 3 442.921 2.679 40 0 IFABHM Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c(C)c1 ZINC000408653573 556032292 /nfs/dbraw/zinc/03/22/92/556032292.db2.gz INSAAGZQWHOAIM-HNNXBMFYSA-N -1 3 443.887 2.632 40 0 IFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408677835 556071996 /nfs/dbraw/zinc/07/19/96/556071996.db2.gz RUSLKKJOQVFOLD-CQSZACIVSA-N -1 3 426.922 2.979 40 0 IFABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000408701634 556104784 /nfs/dbraw/zinc/10/47/84/556104784.db2.gz BIIKMVQTIJESMI-KRWDZBQOSA-N -1 3 431.514 2.609 40 0 IFABHM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 ZINC000015301289 556516589 /nfs/dbraw/zinc/51/65/89/556516589.db2.gz NJCOOIBJULJXEY-UHFFFAOYSA-N -1 3 448.979 2.577 40 0 IFABHM COc1cc(C(=O)[N-]c2nc(S(=O)(=O)Cc3ccccc3)ns2)cc(OC)c1OC ZINC000036626369 556598858 /nfs/dbraw/zinc/59/88/58/556598858.db2.gz FIDKIEWQZKESQC-UHFFFAOYSA-N -1 3 449.510 2.790 40 0 IFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390323 556636953 /nfs/dbraw/zinc/63/69/53/556636953.db2.gz MKSQUBAFHWFNMZ-KBPBESRZSA-N -1 3 425.489 2.612 40 0 IFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390663 556637529 /nfs/dbraw/zinc/63/75/29/556637529.db2.gz KZORVGXKHXXASI-LJQANCHMSA-N -1 3 443.507 2.960 40 0 IFABHM Cc1nn2c(nnc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396048 556638734 /nfs/dbraw/zinc/63/87/34/556638734.db2.gz UWVONMOIWTUUOD-UHFFFAOYSA-N -1 3 431.843 2.847 40 0 IFABHM COCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(F)cc1 ZINC000040397172 556639451 /nfs/dbraw/zinc/63/94/51/556639451.db2.gz QVMOTAHIXDXURT-UHFFFAOYSA-N -1 3 444.426 2.776 40 0 IFABHM COc1ccccc1Nc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040400039 556642920 /nfs/dbraw/zinc/64/29/20/556642920.db2.gz ZSAWGASZUKSPRZ-HNNXBMFYSA-N -1 3 447.451 2.789 40 0 IFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400029 556643014 /nfs/dbraw/zinc/64/30/14/556643014.db2.gz DDIICPUAQRBGFT-CYBMUJFWSA-N -1 3 449.467 2.985 40 0 IFABHM COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1 ZINC000019018926 556692970 /nfs/dbraw/zinc/69/29/70/556692970.db2.gz TVGDYXRJVCWYGI-OAQYLSRUSA-N -1 3 438.528 2.782 40 0 IFABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)nc2C1 ZINC000019019042 556693051 /nfs/dbraw/zinc/69/30/51/556693051.db2.gz VTEUJFLRIXKZDS-NRFANRHFSA-N -1 3 446.511 2.594 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc(=O)[n-]2)CC1 ZINC000019085322 556698940 /nfs/dbraw/zinc/69/89/40/556698940.db2.gz XBQXHRDVZJURJP-LJQANCHMSA-N -1 3 437.544 2.959 40 0 IFABHM Cc1ccc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)CN(C(C)C)CC5)CC2)cn1 ZINC000019214821 556711311 /nfs/dbraw/zinc/71/13/11/556711311.db2.gz ZKOPGXAZJJLEAF-UHFFFAOYSA-N -1 3 434.544 2.925 40 0 IFABHM O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@H]3CCN(Cc4cccc(F)c4F)C3)nc2C1 ZINC000019292708 556732178 /nfs/dbraw/zinc/73/21/78/556732178.db2.gz LUQGAIBFTUWCJA-INIZCTEOSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(Cc1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019348153 556743682 /nfs/dbraw/zinc/74/36/82/556743682.db2.gz PSTQVYLDFCNKCH-FQEVSTJZSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3)[n-]c2=O)C1 ZINC000019368795 556746568 /nfs/dbraw/zinc/74/65/68/556746568.db2.gz JETNKIVSCWEIEK-NRFANRHFSA-N -1 3 443.507 2.731 40 0 IFABHM O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3)[n-]c2=O)C1 ZINC000019368798 556746581 /nfs/dbraw/zinc/74/65/81/556746581.db2.gz JETNKIVSCWEIEK-OAQYLSRUSA-N -1 3 443.507 2.731 40 0 IFABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)CC[C@H]5CCCO5)CC4)[n-]n3c(=O)c2C1 ZINC000019448145 556757544 /nfs/dbraw/zinc/75/75/44/556757544.db2.gz LWKYKXFWPCUQID-GOSISDBHSA-N -1 3 441.576 2.867 40 0 IFABHM CC(C)c1ccc(CN2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)cc1 ZINC000019453258 556763928 /nfs/dbraw/zinc/76/39/28/556763928.db2.gz CIHYLNRTAJBKAB-OAQYLSRUSA-N -1 3 444.601 2.938 40 0 IFABHM C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459057 556766477 /nfs/dbraw/zinc/76/64/77/556766477.db2.gz FTQUUPWIGVPNNY-RXVVDRJESA-N -1 3 443.551 2.843 40 0 IFABHM C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459053 556766544 /nfs/dbraw/zinc/76/65/44/556766544.db2.gz FTQUUPWIGVPNNY-GHTZIAJQSA-N -1 3 443.551 2.843 40 0 IFABHM O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000001325009 556770894 /nfs/dbraw/zinc/77/08/94/556770894.db2.gz LMWSYIVVCBPDAR-UHFFFAOYSA-N -1 3 447.326 2.986 40 0 IFABHM O=C(c1ccc(F)cc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325151 556771061 /nfs/dbraw/zinc/77/10/61/556771061.db2.gz BEVACEHNHVHOAT-UHFFFAOYSA-N -1 3 432.459 2.722 40 0 IFABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499388 556771494 /nfs/dbraw/zinc/77/14/94/556771494.db2.gz KEVVMLYFPQQZKR-HRAATJIYSA-N -1 3 440.544 2.742 40 0 IFABHM CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019499818 556771837 /nfs/dbraw/zinc/77/18/37/556771837.db2.gz UOQXRQHILHJIBP-CABCVRRESA-N -1 3 428.558 2.782 40 0 IFABHM CCCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 ZINC000019501655 556772986 /nfs/dbraw/zinc/77/29/86/556772986.db2.gz VBVUFIGYEMIBAA-HXUWFJFHSA-N -1 3 440.519 2.890 40 0 IFABHM CCCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)nc2C1 ZINC000019501654 556773048 /nfs/dbraw/zinc/77/30/48/556773048.db2.gz VBVUFIGYEMIBAA-FQEVSTJZSA-N -1 3 440.519 2.890 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4cccs4)C2)[n-]c3=O)cc1 ZINC000001334327 556775872 /nfs/dbraw/zinc/77/58/72/556775872.db2.gz QSWJSUKRCYJOBF-MRXNPFEDSA-N -1 3 434.525 2.953 40 0 IFABHM CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C3CCC(C)CC3)[n-]c(=O)c2C1 ZINC000019524161 556781645 /nfs/dbraw/zinc/78/16/45/556781645.db2.gz MNLNFBHUHGIYTK-UHYCVJNDSA-N -1 3 438.576 2.900 40 0 IFABHM O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[n-]2)CC1 ZINC000001355257 556782335 /nfs/dbraw/zinc/78/23/35/556782335.db2.gz YZIHAKVOUSBPJV-UHFFFAOYSA-N -1 3 438.507 2.988 40 0 IFABHM CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c[n-][nH]c2=O)C1 ZINC000019528895 556789432 /nfs/dbraw/zinc/78/94/32/556789432.db2.gz CPEIKVMMKPGJJO-VWLOTQADSA-N -1 3 432.524 2.922 40 0 IFABHM COc1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1OC ZINC000019549749 556794728 /nfs/dbraw/zinc/79/47/28/556794728.db2.gz BLMALLFRWDGVAD-MRXNPFEDSA-N -1 3 437.500 2.632 40 0 IFABHM COc1cc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1OC ZINC000019549751 556794788 /nfs/dbraw/zinc/79/47/88/556794788.db2.gz BLMALLFRWDGVAD-INIZCTEOSA-N -1 3 437.500 2.632 40 0 IFABHM COc1ccc(OC)c(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019551022 556795467 /nfs/dbraw/zinc/79/54/67/556795467.db2.gz DTPNNJIBULZGHX-UHFFFAOYSA-N -1 3 426.498 2.930 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 ZINC000019555654 556798630 /nfs/dbraw/zinc/79/86/30/556798630.db2.gz VQRQCALWAZSTTO-IBGZPJMESA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 ZINC000019555645 556798758 /nfs/dbraw/zinc/79/87/58/556798758.db2.gz KGQFEEYUUZMBLD-GOSISDBHSA-N -1 3 445.523 2.774 40 0 IFABHM COc1cccc(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1OC ZINC000019567272 556807492 /nfs/dbraw/zinc/80/74/92/556807492.db2.gz RXXMVHIVLHKGAG-UHFFFAOYSA-N -1 3 426.498 2.930 40 0 IFABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2c(C)cc(C)n(C)c2=O)cc(=O)[n-]1 ZINC000019572208 556812536 /nfs/dbraw/zinc/81/25/36/556812536.db2.gz LTCKCHCCUFDREV-LJQANCHMSA-N -1 3 431.496 2.589 40 0 IFABHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2ccccc2OCC)c(C)c1C(=O)OC ZINC000006631548 556839133 /nfs/dbraw/zinc/83/91/33/556839133.db2.gz SZMAOHMVXFNSJL-UHFFFAOYSA-N -1 3 434.470 2.996 40 0 IFABHM Cc1ccc(Cc2cc(C)nc(C3CCN(C(=O)CC[C@@H]4NC(=O)[N-]C4=O)CC3)c2)cc1 ZINC000019691616 556847044 /nfs/dbraw/zinc/84/70/44/556847044.db2.gz RKNXOVQDSKROHN-NRFANRHFSA-N -1 3 434.540 2.983 40 0 IFABHM Cc1nc(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[n-]c(=O)c1C ZINC000072341825 556914457 /nfs/dbraw/zinc/91/44/57/556914457.db2.gz DQLPPVRGQMGAJS-UHFFFAOYSA-N -1 3 430.452 2.671 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc([N-]c2ncccn2)n1 ZINC000072376354 556954495 /nfs/dbraw/zinc/95/44/95/556954495.db2.gz IKBBBUDTRMLCIQ-INIZCTEOSA-N -1 3 426.502 2.853 40 0 IFABHM COc1cc([C@@H]2CC(=O)c3cnc4c(c(=O)[n-]c(=O)n4C(C)C)c3C2)cc(OC)c1OC ZINC000019962318 556955925 /nfs/dbraw/zinc/95/59/25/556955925.db2.gz XVHPBSGSKRJYQE-LBPRGKRZSA-N -1 3 439.468 2.604 40 0 IFABHM Cc1cc(CN2CCc3nc(C4CCN(C(=O)[C@H]5CCCO5)CC4)[n-]c(=O)c3C2)cs1 ZINC000072398976 556971254 /nfs/dbraw/zinc/97/12/54/556971254.db2.gz LQZSTGWFTIEAIT-HXUWFJFHSA-N -1 3 442.585 2.583 40 0 IFABHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000015085475 556977988 /nfs/dbraw/zinc/97/79/88/556977988.db2.gz SXUVMBQOALBDRJ-UHFFFAOYSA-N -1 3 431.297 2.972 40 0 IFABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc(C(=O)OC)c1 ZINC000020110604 556985343 /nfs/dbraw/zinc/98/53/43/556985343.db2.gz ASLACIBWNVWWHV-UHFFFAOYSA-N -1 3 440.861 2.537 40 0 IFABHM CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000257277456 556993288 /nfs/dbraw/zinc/99/32/88/556993288.db2.gz NYASBDSNKYVUHZ-HDJSIYSDSA-N -1 3 447.586 2.642 40 0 IFABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc(Cl)c1[O-] ZINC000409214958 557009672 /nfs/dbraw/zinc/00/96/72/557009672.db2.gz YVQATBQLOSGWNZ-IYVNWDGISA-N -1 3 440.905 2.776 40 0 IFABHM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2[O-])C1=O ZINC000409251380 557036558 /nfs/dbraw/zinc/03/65/58/557036558.db2.gz PUTUMTYUEFHSQY-NTEUORMPSA-N -1 3 446.257 2.695 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 ZINC000409387515 557099424 /nfs/dbraw/zinc/09/94/24/557099424.db2.gz ALEBUGWGHMPRGW-UHFFFAOYSA-N -1 3 441.509 2.976 40 0 IFABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 ZINC000409390109 557101352 /nfs/dbraw/zinc/10/13/52/557101352.db2.gz JLCBVLKMLLGSRT-JTQLQIEISA-N -1 3 431.297 2.705 40 0 IFABHM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)c1 ZINC000219226031 557232119 /nfs/dbraw/zinc/23/21/19/557232119.db2.gz JCVCUZDIOAETFZ-UHFFFAOYSA-N -1 3 426.498 2.959 40 0 IFABHM COc1cccc(-c2noc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)n2)c1 ZINC000219287271 557235648 /nfs/dbraw/zinc/23/56/48/557235648.db2.gz YWCPGDHQMVREBE-UHFFFAOYSA-N -1 3 436.877 2.700 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2CN2CCCC2=O)c1 ZINC000026832307 557249498 /nfs/dbraw/zinc/24/94/98/557249498.db2.gz IESVXHTULBSMQN-UHFFFAOYSA-N -1 3 436.917 2.728 40 0 IFABHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 ZINC000223018995 557416218 /nfs/dbraw/zinc/41/62/18/557416218.db2.gz UTTFURKMLMNOPQ-UHFFFAOYSA-N -1 3 431.333 2.572 40 0 IFABHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)cc1OCC ZINC000223100437 557431325 /nfs/dbraw/zinc/43/13/25/557431325.db2.gz DEWHZAVHLXKDKT-NSHDSACASA-N -1 3 428.536 2.724 40 0 IFABHM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CCCN3CCCCCC3)s2)cc1 ZINC000225330293 557711877 /nfs/dbraw/zinc/71/18/77/557711877.db2.gz UARNCJTYICLQPE-UHFFFAOYSA-N -1 3 437.591 2.643 40 0 IFABHM CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000226071805 557803895 /nfs/dbraw/zinc/80/38/95/557803895.db2.gz PPBZDYKIFCNNCO-UHFFFAOYSA-N -1 3 440.525 2.703 40 0 IFABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(C(=O)[C@@H](N)CCC(=O)[O-])C[C@H]3C[C@@H]21 ZINC000257238539 568683227 /nfs/dbraw/zinc/68/32/27/568683227.db2.gz HLMJVTKQXRZTBO-GYBPFOEHSA-N -1 3 436.936 2.998 40 0 IFABHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257269347 568697308 /nfs/dbraw/zinc/69/73/08/568697308.db2.gz MPOZFTMREPVWIH-HNNXBMFYSA-N -1 3 435.406 2.701 40 0 IFABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCc2nc3ccccc3[nH]2)[C@@H]1O ZINC000257283239 568703637 /nfs/dbraw/zinc/70/36/37/568703637.db2.gz OXKUUHIOUTVKCB-NZGVUHLGSA-N -1 3 449.507 2.790 40 0 IFABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(C(=O)c2ccccc2CN2CCCCC2)C1 ZINC000257283858 568703899 /nfs/dbraw/zinc/70/38/99/568703899.db2.gz PADRITBKCMTVBY-SFHVURJKSA-N -1 3 444.601 2.894 40 0 IFABHM CS(=O)(=O)c1cn[n-]c1C[C@@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333417 568725840 /nfs/dbraw/zinc/72/58/40/568725840.db2.gz YBKYGJOTDMUBEO-KRWDZBQOSA-N -1 3 427.530 2.850 40 0 IFABHM CS(=O)(=O)c1c[n-]nc1C[C@@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333417 568725841 /nfs/dbraw/zinc/72/58/41/568725841.db2.gz YBKYGJOTDMUBEO-KRWDZBQOSA-N -1 3 427.530 2.850 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)nc2C1 ZINC000247952990 569206707 /nfs/dbraw/zinc/20/67/07/569206707.db2.gz UGDAXLDIUINBEU-OVQGTLEDSA-N -1 3 447.539 2.875 40 0 IFABHM Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[n-]c(=O)c2C1 ZINC000253598484 569209074 /nfs/dbraw/zinc/20/90/74/569209074.db2.gz CCHYIZACWYYFQG-ZWKOTPCHSA-N -1 3 428.558 2.953 40 0 IFABHM O=C([C@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405331 569226609 /nfs/dbraw/zinc/22/66/09/569226609.db2.gz JALPJLODKMASBQ-TZIWHRDSSA-N -1 3 433.556 2.967 40 0 IFABHM O=C([C@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405328 569226648 /nfs/dbraw/zinc/22/66/48/569226648.db2.gz JALPJLODKMASBQ-CTNGQTDRSA-N -1 3 433.556 2.967 40 0 IFABHM Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000138967350 569254393 /nfs/dbraw/zinc/25/43/93/569254393.db2.gz QMOIOGAVHOQPKB-OAHLLOKOSA-N -1 3 443.887 2.632 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC(c3cncc([N-]c4ncc(C)s4)n3)CC2)cc1 ZINC000585262644 569584723 /nfs/dbraw/zinc/58/47/23/569584723.db2.gz NQPDKGPHVMWUKE-UHFFFAOYSA-N -1 3 445.570 3.562 40 0 IFABHM CC(=O)O[C@H]1C[C@@]2(C)[C@H]([C@@H](OC(=O)c3ccc([O-])cc3)C=C(C)C[C@H]2O)[C@]1(O)C(C)C ZINC000031157360 291340722 /nfs/dbraw/zinc/34/07/22/291340722.db2.gz KHLABRVSJLTKHQ-CUKJZWFUSA-N -1 3 432.513 2.974 40 0 biogenic,in-vitro IFABHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000022246397 526519313 /nfs/dbraw/zinc/51/93/13/526519313.db2.gz MXKWQNXKWLTOPT-KRWDZBQOSA-N -1 3 443.352 2.742 40 0 IFABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](C1(C)CC1)N3)C2 ZINC000012143190 527091924 /nfs/dbraw/zinc/09/19/24/527091924.db2.gz WKHWOGSKRPQKKA-HUUCEWRRSA-N -1 3 436.438 2.561 40 0 IFABHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000012139990 527269637 /nfs/dbraw/zinc/26/96/37/527269637.db2.gz QOZHAIKOTCSJJF-UHFFFAOYSA-N -1 3 447.472 2.574 40 0 IFABHM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408606307 555966603 /nfs/dbraw/zinc/96/66/03/555966603.db2.gz OTDHMEHPWPKUKK-UHFFFAOYSA-N -1 3 426.922 2.981 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 ZINC000408601773 555970598 /nfs/dbraw/zinc/97/05/98/555970598.db2.gz HEYITZILWRFXHR-MRXNPFEDSA-N -1 3 434.514 2.512 40 0 IFABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000408612103 555977419 /nfs/dbraw/zinc/97/74/19/555977419.db2.gz YJZMRSSMFHXHQV-HNNXBMFYSA-N -1 3 434.514 2.798 40 0 IFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000408609469 555979844 /nfs/dbraw/zinc/97/98/44/555979844.db2.gz RMAURAKAMHHLGI-NSHDSACASA-N -1 3 425.894 2.613 40 0 IFABHM COc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000408627459 555998401 /nfs/dbraw/zinc/99/84/01/555998401.db2.gz ZVBHNGBABCXDMZ-NSHDSACASA-N -1 3 428.894 2.671 40 0 IFABHM Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1C ZINC000408661438 556042186 /nfs/dbraw/zinc/04/21/86/556042186.db2.gz VVJYZBKNPMYNAH-OAHLLOKOSA-N -1 3 443.887 2.632 40 0 IFABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCCn1ccnc1 ZINC000408675836 556068428 /nfs/dbraw/zinc/06/84/28/556068428.db2.gz LAWWJNDQSXLMAO-UHFFFAOYSA-N -1 3 428.514 2.578 40 0 IFABHM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)CC)cc2)cc1 ZINC000408700845 556105738 /nfs/dbraw/zinc/10/57/38/556105738.db2.gz MWBMPKDJHWPEFM-UHFFFAOYSA-N -1 3 439.559 2.731 40 0 IFABHM COc1ccc(C([O-])=C2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013427359 556505762 /nfs/dbraw/zinc/50/57/62/556505762.db2.gz PRTCGQRTMLEBJQ-MDZRGWNJSA-N -1 3 438.358 2.528 40 0 IFABHM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000030863249 556511625 /nfs/dbraw/zinc/51/16/25/556511625.db2.gz CHSRQUVWSIVJEY-UHFFFAOYSA-N -1 3 442.877 2.768 40 0 IFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc54)[n-]c(=O)c32)c(F)c1 ZINC000038828234 556620301 /nfs/dbraw/zinc/62/03/01/556620301.db2.gz ZXMKKCYIKWBCAH-CQSZACIVSA-N -1 3 433.443 2.976 40 0 IFABHM COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828436 556620362 /nfs/dbraw/zinc/62/03/62/556620362.db2.gz AUGWQUXFVSSKIN-XEZPLFJOSA-N -1 3 425.489 2.610 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388705 556636553 /nfs/dbraw/zinc/63/65/53/556636553.db2.gz BSYQFDZSVVEYNE-ZNMIVQPWSA-N -1 3 439.516 2.634 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(OC)cc1)CC(=O)N2 ZINC000040390477 556637405 /nfs/dbraw/zinc/63/74/05/556637405.db2.gz QEJGZXVOGCBZPE-ZBFHGGJFSA-N -1 3 425.489 2.612 40 0 IFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390661 556637490 /nfs/dbraw/zinc/63/74/90/556637490.db2.gz WNHOVOOWMZLAPO-SFHVURJKSA-N -1 3 429.480 2.706 40 0 IFABHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390697 556637552 /nfs/dbraw/zinc/63/75/52/556637552.db2.gz LNSSXFPWNHAHNJ-KRWDZBQOSA-N -1 3 429.480 2.706 40 0 IFABHM CCc1nn2c(nnc3c2ccn([N-]C(=O)c2cccnc2)c3=O)c1-c1ccc(F)cc1 ZINC000040391811 556638124 /nfs/dbraw/zinc/63/81/24/556638124.db2.gz YUIXUNGMRCDRHA-UHFFFAOYSA-N -1 3 429.415 2.587 40 0 IFABHM CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399188 556641518 /nfs/dbraw/zinc/64/15/18/556641518.db2.gz HKIVNCHJMJXCOK-INIZCTEOSA-N -1 3 447.451 2.755 40 0 IFABHM CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccccc3OC)[n-]c(=O)c21 ZINC000040400031 556642988 /nfs/dbraw/zinc/64/29/88/556642988.db2.gz DDIICPUAQRBGFT-ZDUSSCGKSA-N -1 3 449.467 2.985 40 0 IFABHM O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019014705 556691753 /nfs/dbraw/zinc/69/17/53/556691753.db2.gz NMPHDPHLWQKNGM-PMACEKPBSA-N -1 3 442.560 2.880 40 0 IFABHM COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1 ZINC000019018928 556693043 /nfs/dbraw/zinc/69/30/43/556693043.db2.gz TVGDYXRJVCWYGI-NRFANRHFSA-N -1 3 438.528 2.782 40 0 IFABHM Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(Cc3cccs3)CC4)C2)on1 ZINC000019119838 556700789 /nfs/dbraw/zinc/70/07/89/556700789.db2.gz RWXYKFGDTGNGAH-OAHLLOKOSA-N -1 3 439.541 2.706 40 0 IFABHM Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)C3CC3)C4)C2)cc1 ZINC000019135702 556706185 /nfs/dbraw/zinc/70/61/85/556706185.db2.gz RPPHNTCDRIWCSO-APWZRJJASA-N -1 3 434.540 2.905 40 0 IFABHM Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[n-]3)CC2)n1 ZINC000019285825 556727484 /nfs/dbraw/zinc/72/74/84/556727484.db2.gz MDORKMJVMPHYQD-AWEZNQCLSA-N -1 3 440.573 2.824 40 0 IFABHM O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)nc2C1 ZINC000019292848 556732384 /nfs/dbraw/zinc/73/23/84/556732384.db2.gz NQDRQZVBCCGGFX-MRXNPFEDSA-N -1 3 428.483 2.722 40 0 IFABHM O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343667 556741429 /nfs/dbraw/zinc/74/14/29/556741429.db2.gz JXQVRBVMMRDDRI-MOPGFXCFSA-N -1 3 428.558 2.622 40 0 IFABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3ccccn3)nc2C1 ZINC000019400103 556752876 /nfs/dbraw/zinc/75/28/76/556752876.db2.gz DBVCWNNMEAXXCS-GOSISDBHSA-N -1 3 449.536 2.792 40 0 IFABHM O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2 ZINC000019404936 556754525 /nfs/dbraw/zinc/75/45/25/556754525.db2.gz QNNNPJSRBDCYBR-OAQYLSRUSA-N -1 3 449.555 2.997 40 0 IFABHM CC(C)N1CCc2nc3cc(C4CCN(C(=O)CCc5cccnc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448149 556757443 /nfs/dbraw/zinc/75/74/43/556757443.db2.gz SBUCFQWTZVLHRX-UHFFFAOYSA-N -1 3 448.571 2.935 40 0 IFABHM COc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)on1 ZINC000019448335 556757510 /nfs/dbraw/zinc/75/75/10/556757510.db2.gz OPQKEYXPTUAKEU-SFHVURJKSA-N -1 3 429.521 2.632 40 0 IFABHM O=C(c1ccccc1)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[n-]2)CC1 ZINC000001324851 556770832 /nfs/dbraw/zinc/77/08/32/556770832.db2.gz RQZCJGQTRNYBMX-UHFFFAOYSA-N -1 3 432.459 2.722 40 0 IFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)CCc3ccccc3F)nc2C1 ZINC000019499106 556770846 /nfs/dbraw/zinc/77/08/46/556770846.db2.gz SYTOIONITOBTMB-HXUWFJFHSA-N -1 3 440.519 2.890 40 0 IFABHM CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(OC)s3)[n-]c2=O)C1 ZINC000019499128 556770915 /nfs/dbraw/zinc/77/09/15/556770915.db2.gz AHLIADDJYRHMSX-OAHLLOKOSA-N -1 3 430.530 2.502 40 0 IFABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)o2)cc1 ZINC000001329693 556774200 /nfs/dbraw/zinc/77/42/00/556774200.db2.gz BPZJNEBNYDOZLG-UHFFFAOYSA-N -1 3 446.554 2.949 40 0 IFABHM Cc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334978 556775947 /nfs/dbraw/zinc/77/59/47/556775947.db2.gz JQTKXRGXLRUZQR-SFHVURJKSA-N -1 3 428.496 2.891 40 0 IFABHM O=C(C1CC1)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000001334858 556776161 /nfs/dbraw/zinc/77/61/61/556776161.db2.gz XNMREHKXQKVWBP-LBPRGKRZSA-N -1 3 447.326 2.986 40 0 IFABHM CCc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019521898 556778493 /nfs/dbraw/zinc/77/84/93/556778493.db2.gz RHYUZLBMCGNEHQ-SFHVURJKSA-N -1 3 432.509 2.960 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)c5cccnc5)C4)nc3C2)cc1 ZINC000019555651 556798742 /nfs/dbraw/zinc/79/87/42/556798742.db2.gz VQRQCALWAZSTTO-LJQANCHMSA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)cn1 ZINC000019561909 556803419 /nfs/dbraw/zinc/80/34/19/556803419.db2.gz WPBVZJDYBSWDKT-HXUWFJFHSA-N -1 3 427.464 2.949 40 0 IFABHM COc1ccccc1CN1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019570670 556810912 /nfs/dbraw/zinc/81/09/12/556810912.db2.gz UMFLOZBOMYLQFP-LJQANCHMSA-N -1 3 436.556 2.843 40 0 IFABHM COc1ccc2nc(CN3CCc4c(nc(N5C[C@@H](C)O[C@H](C)C5)[n-]c4=O)C3)ccc2c1 ZINC000072335596 556908566 /nfs/dbraw/zinc/90/85/66/556908566.db2.gz MNYOAYLEVBYXGA-HZPDHXFCSA-N -1 3 435.528 2.911 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCCC4)nc3C2)cc1Cn1cccn1 ZINC000072347217 556918274 /nfs/dbraw/zinc/91/82/74/556918274.db2.gz JHQFHDQWZDPSJH-UHFFFAOYSA-N -1 3 434.544 2.984 40 0 IFABHM O=C(c1cccs1)N1CCc2nc(C3CCN(Cc4cccnc4)CC3)[n-]c(=O)c2C1 ZINC000072398984 556971146 /nfs/dbraw/zinc/97/11/46/556971146.db2.gz QMJOSMNZMQSOSM-UHFFFAOYSA-N -1 3 435.553 2.805 40 0 IFABHM CCn1cc(CN2CCC[C@@H](c3cc(=O)[n-]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)cn1 ZINC000072399215 556971711 /nfs/dbraw/zinc/97/17/11/556971711.db2.gz FNVQZONCURVEAO-HXUWFJFHSA-N -1 3 440.592 2.728 40 0 IFABHM COc1ccc(CCNC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000409172516 556983998 /nfs/dbraw/zinc/98/39/98/556983998.db2.gz JSOFOZLQGZGZMV-UHFFFAOYSA-N -1 3 447.340 2.648 40 0 IFABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000020768681 557126625 /nfs/dbraw/zinc/12/66/25/557126625.db2.gz JWSOYSIHZVCKAW-UHFFFAOYSA-N -1 3 444.962 2.612 40 0 IFABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N4CCN(C)CC4)cc3)ccc21 ZINC000096967666 557207367 /nfs/dbraw/zinc/20/73/67/557207367.db2.gz AEEISQRUFXSKRF-UHFFFAOYSA-N -1 3 428.558 2.538 40 0 IFABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000219287053 557235829 /nfs/dbraw/zinc/23/58/29/557235829.db2.gz WONCTAIFECTXMB-QGZVFWFLSA-N -1 3 444.962 2.996 40 0 IFABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)CC1 ZINC000100237711 557253842 /nfs/dbraw/zinc/25/38/42/557253842.db2.gz UHRDAPYWOHFAAA-QKLQHJQFSA-N -1 3 442.560 2.736 40 0 IFABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000015359035 557461319 /nfs/dbraw/zinc/46/13/19/557461319.db2.gz GVEZSJIBVCWWQU-LLVKDONJSA-N -1 3 448.360 2.901 40 0 IFABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(OC)c(OC)c1 ZINC000223689578 557502561 /nfs/dbraw/zinc/50/25/61/557502561.db2.gz HJQCEVLDNLVACM-LBPRGKRZSA-N -1 3 442.563 2.970 40 0 IFABHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OCC ZINC000223736942 557507404 /nfs/dbraw/zinc/50/74/04/557507404.db2.gz CCZXYHDVXRCZJU-GFCCVEGCSA-N -1 3 442.563 2.970 40 0 IFABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000224247311 557581082 /nfs/dbraw/zinc/58/10/82/557581082.db2.gz WFVUKTQRMOTJRF-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000226060114 557803391 /nfs/dbraw/zinc/80/33/91/557803391.db2.gz ABQRRQZPRUHWQO-UHFFFAOYSA-N -1 3 444.488 2.534 40 0 IFABHM CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NC2Cc3ccccc3C2)[C@@H]1O ZINC000257275384 568699924 /nfs/dbraw/zinc/69/99/24/568699924.db2.gz NPDMMMHTZSNGSY-DHDRLQIASA-N -1 3 435.520 2.881 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1OC)CC(=O)N2 ZINC000139114665 569254802 /nfs/dbraw/zinc/25/48/02/569254802.db2.gz WLZUNKFCSNMBFW-ZIAGYGMSSA-N -1 3 425.489 2.612 40 0 IFABHM Cc1ccc(Cn2c3n[n-]c(=O)n3c3cc(C(=O)NC4CCCCC4)ccc3c2=O)cc1 ZINC000013363159 569314124 /nfs/dbraw/zinc/31/41/24/569314124.db2.gz YMCLOJQEWJGMDM-UHFFFAOYSA-N -1 3 431.496 2.757 40 0 IFABHM CC(=O)O[C@@H]1C[C@@]2(C)[C@H]([C@@H](OC(=O)c3ccc([O-])cc3)C=C(C)C[C@@H]2O)[C@]1(O)C(C)C ZINC000031157355 291340734 /nfs/dbraw/zinc/34/07/34/291340734.db2.gz KHLABRVSJLTKHQ-GPSBYCFDSA-N -1 3 432.513 2.974 40 0 biogenic,in-vitro IFABHM Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CCCC(=O)[O-] ZINC000012602075 291348999 /nfs/dbraw/zinc/34/89/99/291348999.db2.gz QCDOJHIYZIXDQR-UHOSZYNNSA-N -1 3 428.508 2.775 40 0 biogenic,in-vitro IFABHM COc1ccccc1N1CCN(c2nc(CSc3nc(C)cc(C)n3)cc(=O)[n-]2)CC1 ZINC000013611406 132351854 /nfs/dbraw/zinc/35/18/54/132351854.db2.gz SOGODWOIOURTQO-UHFFFAOYSA-N -1 3 438.557 2.804 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)c4cccs4)CC2)[n-]c3=O)cc1 ZINC000012467278 524777733 /nfs/dbraw/zinc/77/77/33/524777733.db2.gz QWUNTFKSIQYRDV-UHFFFAOYSA-N -1 3 434.525 2.953 40 0 IFABHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1 ZINC000022913455 525592255 /nfs/dbraw/zinc/59/22/55/525592255.db2.gz MWQSAHSHCNUDCA-UHFFFAOYSA-N -1 3 431.558 2.556 40 0 IFABHM O=c1[n-]c(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1CCC2 ZINC000012113686 527440140 /nfs/dbraw/zinc/44/01/40/527440140.db2.gz QQHXUZIEWKGXFX-UHFFFAOYSA-N -1 3 442.463 2.543 40 0 IFABHM O=C([O-])C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 ZINC000020463423 527629791 /nfs/dbraw/zinc/62/97/91/527629791.db2.gz BDPBTFVKWCLSET-OALUTQOASA-N -1 3 442.585 2.908 40 0 biogenic,in-vitro IFABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 ZINC000408593681 555959893 /nfs/dbraw/zinc/95/98/93/555959893.db2.gz NTAWGDQEROTOBD-UHFFFAOYSA-N -1 3 428.514 2.578 40 0 IFABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1)C(=O)N1CCOCC1 ZINC000408607869 555971777 /nfs/dbraw/zinc/97/17/77/555971777.db2.gz QSKBVBBKQXEGBL-CYBMUJFWSA-N -1 3 442.896 2.906 40 0 IFABHM CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1 ZINC000408661508 556042170 /nfs/dbraw/zinc/04/21/70/556042170.db2.gz WDOCOTODRLSNPW-HNNXBMFYSA-N -1 3 443.887 2.578 40 0 IFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCc1ccc2c(c1)OCO2 ZINC000016490363 556612373 /nfs/dbraw/zinc/61/23/73/556612373.db2.gz CELFKVMJVTWTLZ-UHFFFAOYSA-N -1 3 440.477 2.911 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000040390459 556637248 /nfs/dbraw/zinc/63/72/48/556637248.db2.gz GRBSWAYYMRBNTN-IRXDYDNUSA-N -1 3 437.500 2.806 40 0 IFABHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000040390703 556637696 /nfs/dbraw/zinc/63/76/96/556637696.db2.gz NWPWFTCROJBMGK-GOSISDBHSA-N -1 3 443.507 2.960 40 0 IFABHM CC(=O)Nc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399184 556641487 /nfs/dbraw/zinc/64/14/87/556641487.db2.gz HGQLEYXICMPQSG-INIZCTEOSA-N -1 3 432.440 2.536 40 0 IFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399833 556642700 /nfs/dbraw/zinc/64/27/00/556642700.db2.gz LGRIUEHLJONCNO-QGZVFWFLSA-N -1 3 449.467 2.985 40 0 IFABHM COCCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)cc(=O)[n-]2)CC1 ZINC000019081214 556695814 /nfs/dbraw/zinc/69/58/14/556695814.db2.gz WCLNXOLTHUAQAL-KRWDZBQOSA-N -1 3 432.565 2.677 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(=O)[n-]2)CC1 ZINC000019085318 556699012 /nfs/dbraw/zinc/69/90/12/556699012.db2.gz RIZIWGJSLHJZHP-GOSISDBHSA-N -1 3 437.544 2.959 40 0 IFABHM CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)cc(=O)[n-]2)CC1 ZINC000019085338 556699371 /nfs/dbraw/zinc/69/93/71/556699371.db2.gz YLUQPSXEDUBQQX-IBGZPJMESA-N -1 3 437.544 2.959 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1 ZINC000019134415 556705376 /nfs/dbraw/zinc/70/53/76/556705376.db2.gz ROLVRTJYACXHAJ-HNNXBMFYSA-N -1 3 426.498 2.739 40 0 IFABHM Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)C3CC3)C4)C2)cc1 ZINC000019135706 556706089 /nfs/dbraw/zinc/70/60/89/556706089.db2.gz RPPHNTCDRIWCSO-LPHOPBHVSA-N -1 3 434.540 2.905 40 0 IFABHM Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c1 ZINC000019235088 556719433 /nfs/dbraw/zinc/71/94/33/556719433.db2.gz SRTUUJMRTFHWBU-HXUWFJFHSA-N -1 3 430.574 2.512 40 0 IFABHM Cc1cccc(CN2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 ZINC000019236158 556720906 /nfs/dbraw/zinc/72/09/06/556720906.db2.gz WGVJQMHFKQDVPD-KRWDZBQOSA-N -1 3 447.514 2.800 40 0 IFABHM O=C(Cc1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019293725 556733276 /nfs/dbraw/zinc/73/32/76/556733276.db2.gz KSCVYLLMYJLFHC-HXUWFJFHSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[n-]c2=O)C1 ZINC000019337746 556739060 /nfs/dbraw/zinc/73/90/60/556739060.db2.gz CCFSZQQTUXVPLS-NRFANRHFSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339369 556739348 /nfs/dbraw/zinc/73/93/48/556739348.db2.gz LXNCMOBJHVFNOM-OAQYLSRUSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccs1)CC2 ZINC000019343581 556741560 /nfs/dbraw/zinc/74/15/60/556741560.db2.gz YDYQKKWIYDHVAE-IBGZPJMESA-N -1 3 436.541 2.547 40 0 IFABHM O=C(c1ccc2c(c1)OCO2)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019345479 556742280 /nfs/dbraw/zinc/74/22/80/556742280.db2.gz KWTKPMADOQWCAO-INIZCTEOSA-N -1 3 436.512 2.841 40 0 IFABHM O=C(Cc1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019348149 556743797 /nfs/dbraw/zinc/74/37/97/556743797.db2.gz MYZLNFVLHYXQSR-FQEVSTJZSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(c1cccnc1)N1CCC(c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)CC1 ZINC000019372302 556748735 /nfs/dbraw/zinc/74/87/35/556748735.db2.gz OIMWXVUVBCQNMC-UHFFFAOYSA-N -1 3 429.524 2.743 40 0 IFABHM C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459051 556766444 /nfs/dbraw/zinc/76/64/44/556766444.db2.gz FTQUUPWIGVPNNY-WIYYLYMNSA-N -1 3 443.551 2.843 40 0 IFABHM C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459032 556766531 /nfs/dbraw/zinc/76/65/31/556766531.db2.gz WYUUSSLKNWGKSU-RXVVDRJESA-N -1 3 443.551 2.843 40 0 IFABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C4CC4)CC2)[n-]c3=O)cc1 ZINC000001324734 556770739 /nfs/dbraw/zinc/77/07/39/556770739.db2.gz HFEPXNFBWZOSMU-UHFFFAOYSA-N -1 3 434.544 2.976 40 0 IFABHM Cc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000001325116 556771046 /nfs/dbraw/zinc/77/10/46/556771046.db2.gz HPAHHRVGTNYWRU-UHFFFAOYSA-N -1 3 428.496 2.891 40 0 IFABHM CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499389 556771551 /nfs/dbraw/zinc/77/15/51/556771551.db2.gz KEVVMLYFPQQZKR-KKSFZXQISA-N -1 3 440.544 2.742 40 0 IFABHM CCCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3cccc(F)c3)nc2C1 ZINC000019501665 556773279 /nfs/dbraw/zinc/77/32/79/556773279.db2.gz VKRUDYURLYKQFS-LJQANCHMSA-N -1 3 426.492 2.961 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)Cc4ccccc4)C2)[n-]c3=O)cc1 ZINC000001334218 556775792 /nfs/dbraw/zinc/77/57/92/556775792.db2.gz KYIGTZVRWZUOAH-FQEVSTJZSA-N -1 3 442.523 2.820 40 0 IFABHM COc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001335009 556776188 /nfs/dbraw/zinc/77/61/88/556776188.db2.gz YNNQAENLXSDTPM-QGZVFWFLSA-N -1 3 444.495 2.591 40 0 IFABHM CCSCc1nc2c(nnn2C2CCN(Cc3cnc(C(C)C)nc3)CC2)c(=O)[n-]1 ZINC000019520508 556776920 /nfs/dbraw/zinc/77/69/20/556776920.db2.gz ILQLZTCBLHXUIG-UHFFFAOYSA-N -1 3 428.566 2.931 40 0 IFABHM CCc1nnsc1C(=O)N[C@H](Cc1cc(=O)[n-]c(-c2cccnc2)n1)c1ccccc1 ZINC000019521899 556778579 /nfs/dbraw/zinc/77/85/79/556778579.db2.gz RHYUZLBMCGNEHQ-GOSISDBHSA-N -1 3 432.509 2.960 40 0 IFABHM CCOc1ccc(CN2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533245 556793384 /nfs/dbraw/zinc/79/33/84/556793384.db2.gz ALUFQGJXYNNFJB-IBGZPJMESA-N -1 3 436.556 2.843 40 0 IFABHM Cc1ncc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3cccnc3)n2)c2ccccc2)c(C)n1 ZINC000019552545 556796274 /nfs/dbraw/zinc/79/62/74/556796274.db2.gz BAUAQFDQBBLYSA-NRFANRHFSA-N -1 3 426.480 2.953 40 0 IFABHM Cc1ncsc1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(C)C)CC4)CC1 ZINC000019562062 556803386 /nfs/dbraw/zinc/80/33/86/556803386.db2.gz ODYREGANBDWSEI-UHFFFAOYSA-N -1 3 440.573 2.986 40 0 IFABHM CSCC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573945 556814003 /nfs/dbraw/zinc/81/40/03/556814003.db2.gz ZORDBZYVDVBDLC-SJLPKXTDSA-N -1 3 449.536 2.868 40 0 IFABHM Cc1cc(C)n(CCCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)n1 ZINC000019574017 556814286 /nfs/dbraw/zinc/81/42/86/556814286.db2.gz BNLXHLOVYLBRTK-UHFFFAOYSA-N -1 3 426.546 2.893 40 0 IFABHM Cc1nc([C@H]2CCCN2C(=O)CN2Cc3ccccc3C2=O)[n-]c(=O)c1Cc1ccccc1 ZINC000019579255 556816863 /nfs/dbraw/zinc/81/68/63/556816863.db2.gz BYWBYFFMLVITDX-JOCHJYFZSA-N -1 3 442.519 2.989 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)Cc4cccs4)CC2)[n-]c3=O)cc1 ZINC000004439362 556822615 /nfs/dbraw/zinc/82/26/15/556822615.db2.gz JJBVPOUZGBULCY-UHFFFAOYSA-N -1 3 448.552 2.882 40 0 IFABHM COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cncc([N-]c2ncccn2)n1 ZINC000072376353 556954445 /nfs/dbraw/zinc/95/44/45/556954445.db2.gz IKBBBUDTRMLCIQ-MRXNPFEDSA-N -1 3 426.502 2.853 40 0 IFABHM CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)CC1 ZINC000257311035 557003671 /nfs/dbraw/zinc/00/36/71/557003671.db2.gz UHRDAPYWOHFAAA-MBOZVWFJSA-N -1 3 442.560 2.736 40 0 IFABHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)c1 ZINC000219226228 557232203 /nfs/dbraw/zinc/23/22/03/557232203.db2.gz PIUHUMNTWLLINN-UHFFFAOYSA-N -1 3 442.497 2.659 40 0 IFABHM COc1cc2nc(C3CC3)n([N-]C(=O)c3cccc(OC)c3OC)c(=O)c2cc1OC ZINC000013084210 557277221 /nfs/dbraw/zinc/27/72/21/557277221.db2.gz GTOVJWUKPUXQEC-UHFFFAOYSA-N -1 3 425.441 2.692 40 0 IFABHM CC(C)(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[n-]2)CC1 ZINC000013565520 557342375 /nfs/dbraw/zinc/34/23/75/557342375.db2.gz GCFSWWJCHBXLSZ-UHFFFAOYSA-N -1 3 426.496 2.844 40 0 IFABHM CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1OCC ZINC000222852111 557394245 /nfs/dbraw/zinc/39/42/45/557394245.db2.gz ITOCZVPPYMNERD-UHFFFAOYSA-N -1 3 442.563 2.799 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)[N-]c1nnc(SC)s1 ZINC000222879791 557397211 /nfs/dbraw/zinc/39/72/11/557397211.db2.gz TYLTWUXTSSWVLR-UHFFFAOYSA-N -1 3 428.561 2.696 40 0 IFABHM C[C@H]1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000223019145 557416107 /nfs/dbraw/zinc/41/61/07/557416107.db2.gz WURLUGVTSODRQT-NSHDSACASA-N -1 3 445.360 2.961 40 0 IFABHM Cc1ccc(C)c(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccco4)C2)[n-]c3=O)c1 ZINC000015907297 557466310 /nfs/dbraw/zinc/46/63/10/557466310.db2.gz VVIUTJBSGQZZCZ-MRXNPFEDSA-N -1 3 432.484 2.793 40 0 IFABHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)n1 ZINC000223605165 557491051 /nfs/dbraw/zinc/49/10/51/557491051.db2.gz TYFCNKXUTXIQNZ-UHFFFAOYSA-N -1 3 426.498 2.959 40 0 IFABHM CC[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225044579 557682414 /nfs/dbraw/zinc/68/24/14/557682414.db2.gz PGMHTUPYNLUNMV-MRXNPFEDSA-N -1 3 437.591 2.723 40 0 IFABHM CCOc1cccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 ZINC000225185656 557697456 /nfs/dbraw/zinc/69/74/56/557697456.db2.gz SAWQJDPKPSISSW-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM CC(C)Oc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)cn1 ZINC000225928166 557793676 /nfs/dbraw/zinc/79/36/76/557793676.db2.gz FKGDVIOLCJMOQP-UHFFFAOYSA-N -1 3 425.457 2.738 40 0 IFABHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000257227945 568677877 /nfs/dbraw/zinc/67/78/77/568677877.db2.gz FRRBQWHXUIDDBD-SFHVURJKSA-N -1 3 446.429 2.907 40 0 IFABHM CS(=O)(=O)c1cn[n-]c1C[C@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333418 568725708 /nfs/dbraw/zinc/72/57/08/568725708.db2.gz YBKYGJOTDMUBEO-QGZVFWFLSA-N -1 3 427.530 2.850 40 0 IFABHM CS(=O)(=O)c1c[n-]nc1C[C@H]1CCCN(Cc2cccc(Oc3ncccn3)c2)C1 ZINC000257333418 568725710 /nfs/dbraw/zinc/72/57/10/568725710.db2.gz YBKYGJOTDMUBEO-QGZVFWFLSA-N -1 3 427.530 2.850 40 0 IFABHM Cc1c(NC(=O)CSc2nc3sccc3c(=O)[n-]2)c(=O)n(-c2ccccc2)n1C ZINC000016543447 569225831 /nfs/dbraw/zinc/22/58/31/569225831.db2.gz DZIFADCXMMVISC-UHFFFAOYSA-N -1 3 427.511 2.513 40 0 IFABHM Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000138967479 569254349 /nfs/dbraw/zinc/25/43/49/569254349.db2.gz QMOIOGAVHOQPKB-HNNXBMFYSA-N -1 3 443.887 2.632 40 0 IFABHM CCc1c(C)nc(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[n-]c1=O ZINC000012114046 523710239 /nfs/dbraw/zinc/71/02/39/523710239.db2.gz KVGQZKJMPPHZDS-UHFFFAOYSA-N -1 3 444.479 2.925 40 0 IFABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000408612104 555977276 /nfs/dbraw/zinc/97/72/76/555977276.db2.gz YJZMRSSMFHXHQV-OAHLLOKOSA-N -1 3 434.514 2.798 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)cc1Cl ZINC000408612027 555977338 /nfs/dbraw/zinc/97/73/38/555977338.db2.gz XZIZBVNDFGHLAD-UHFFFAOYSA-N -1 3 437.949 2.602 40 0 IFABHM COc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000408627458 555998374 /nfs/dbraw/zinc/99/83/74/555998374.db2.gz ZVBHNGBABCXDMZ-LLVKDONJSA-N -1 3 428.894 2.671 40 0 IFABHM Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)c1 ZINC000408650936 556027070 /nfs/dbraw/zinc/02/70/70/556027070.db2.gz CLBICHAOOAQNAG-OAHLLOKOSA-N -1 3 443.887 2.632 40 0 IFABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000408678583 556071985 /nfs/dbraw/zinc/07/19/85/556071985.db2.gz SVXKVZZRTMXNFI-UHFFFAOYSA-N -1 3 439.493 2.912 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(=O)NC(C)C ZINC000030851141 556508705 /nfs/dbraw/zinc/50/87/05/556508705.db2.gz WPOWREAMJHAGDJ-UHFFFAOYSA-N -1 3 431.514 2.761 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000016154170 556585872 /nfs/dbraw/zinc/58/58/72/556585872.db2.gz KIWNAODRCYSACO-UHFFFAOYSA-N -1 3 440.543 2.679 40 0 IFABHM CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000016682746 556624849 /nfs/dbraw/zinc/62/48/49/556624849.db2.gz DDBUCMMYCYSDQA-UHFFFAOYSA-N -1 3 446.525 2.668 40 0 IFABHM CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389045 556636693 /nfs/dbraw/zinc/63/66/93/556636693.db2.gz NANBQBIUWYNYBP-BBRMVZONSA-N -1 3 425.489 2.612 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390395 556636901 /nfs/dbraw/zinc/63/69/01/556636901.db2.gz GHGHXLOTDDQLCQ-KBPBESRZSA-N -1 3 425.489 2.530 40 0 IFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390659 556637515 /nfs/dbraw/zinc/63/75/15/556637515.db2.gz WNHOVOOWMZLAPO-GOSISDBHSA-N -1 3 429.480 2.706 40 0 IFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cc(OC)ccc2C)CC(=O)N3)cc1 ZINC000040399953 556642656 /nfs/dbraw/zinc/64/26/56/556642656.db2.gz WDQVQUUIVASTTF-MRXNPFEDSA-N -1 3 449.467 2.904 40 0 IFABHM COc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C(C)=O)cc2)CC(=O)N3)cc1 ZINC000040399847 556642666 /nfs/dbraw/zinc/64/26/66/556642666.db2.gz APAWQQYTAACHEL-KRWDZBQOSA-N -1 3 447.451 2.789 40 0 IFABHM CC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)CCc3cn(C)c4ccccc34)nc2C1 ZINC000019019011 556693014 /nfs/dbraw/zinc/69/30/14/556693014.db2.gz ULTHLOVXTZLIAH-QFIPXVFZSA-N -1 3 447.539 2.875 40 0 IFABHM Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1 ZINC000019210477 556708864 /nfs/dbraw/zinc/70/88/64/556708864.db2.gz YZYUJQVZJIJIEN-HXUWFJFHSA-N -1 3 430.574 2.512 40 0 IFABHM COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285182 556727079 /nfs/dbraw/zinc/72/70/79/556727079.db2.gz CDWXTEPFJVITAO-NRFANRHFSA-N -1 3 438.509 2.831 40 0 IFABHM COc1ccc([C@@H]2CN(C(=O)C[C@@H]3CC(C)(C)OC3=O)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285465 556727509 /nfs/dbraw/zinc/72/75/09/556727509.db2.gz RZKAVKUWDCMITK-NZSAHSFTSA-N -1 3 439.512 2.528 40 0 IFABHM COc1ccc([C@@H]2CN(C(=O)C[C@H]3CC(C)(C)OC3=O)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285466 556727532 /nfs/dbraw/zinc/72/75/32/556727532.db2.gz RZKAVKUWDCMITK-YTQUADARSA-N -1 3 439.512 2.528 40 0 IFABHM CSCC[C@H](NC(=O)c1c2c(nn1C)CCCC2)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019288659 556728855 /nfs/dbraw/zinc/72/88/55/556728855.db2.gz DNJWADSDBCKRRK-KRWDZBQOSA-N -1 3 438.557 2.668 40 0 IFABHM O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)[n-]c(=O)c2C1 ZINC000019292924 556732369 /nfs/dbraw/zinc/73/23/69/556732369.db2.gz RIZIFIBRPMCKBR-MRXNPFEDSA-N -1 3 428.483 2.722 40 0 IFABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3CCC3)nc2C1 ZINC000019342844 556740591 /nfs/dbraw/zinc/74/05/91/556740591.db2.gz DPWWVMFAHHJFOA-QGZVFWFLSA-N -1 3 426.542 2.884 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(Cc4ccncc4)C3)[n-]c(=O)c2C1 ZINC000019342781 556740708 /nfs/dbraw/zinc/74/07/08/556740708.db2.gz BEDCHVQRIPABLT-QGZVFWFLSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCC2)C3)C1 ZINC000019345477 556742263 /nfs/dbraw/zinc/74/22/63/556742263.db2.gz KWTKPMADOQWCAO-MRXNPFEDSA-N -1 3 436.512 2.841 40 0 IFABHM O=C(c1ccc2c(c1)OCCO2)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019345485 556742326 /nfs/dbraw/zinc/74/23/26/556742326.db2.gz DOKWGDURZMMIHP-UHFFFAOYSA-N -1 3 438.509 2.986 40 0 IFABHM O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349296 556744055 /nfs/dbraw/zinc/74/40/55/556744055.db2.gz UVRHVPOOGKQLCB-JOCHJYFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)C1 ZINC000019370662 556748035 /nfs/dbraw/zinc/74/80/35/556748035.db2.gz XICHFURBLIPHHO-OAQYLSRUSA-N -1 3 443.551 2.672 40 0 IFABHM O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)CC1 ZINC000019372300 556748651 /nfs/dbraw/zinc/74/86/51/556748651.db2.gz VTMXTJZFFGHQRX-UHFFFAOYSA-N -1 3 429.524 2.743 40 0 IFABHM O=C([C@@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2 ZINC000019405322 556754865 /nfs/dbraw/zinc/75/48/65/556754865.db2.gz JALPJLODKMASBQ-FPOVZHCZSA-N -1 3 433.556 2.967 40 0 IFABHM C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019463365 556768120 /nfs/dbraw/zinc/76/81/20/556768120.db2.gz VTXAEANAAHESNQ-YSVLISHTSA-N -1 3 426.542 2.740 40 0 IFABHM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499392 556771483 /nfs/dbraw/zinc/77/14/83/556771483.db2.gz LGBABQGTFJLYRI-HNAYVOBHSA-N -1 3 428.508 2.873 40 0 IFABHM CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499393 556771507 /nfs/dbraw/zinc/77/15/07/556771507.db2.gz LGBABQGTFJLYRI-KXBFYZLASA-N -1 3 428.508 2.873 40 0 IFABHM Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4cccs4)C2)[n-]c3=O)cc1 ZINC000001334323 556775729 /nfs/dbraw/zinc/77/57/29/556775729.db2.gz QSWJSUKRCYJOBF-INIZCTEOSA-N -1 3 434.525 2.953 40 0 IFABHM Cc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[n-]3)C2)c1 ZINC000001334982 556776007 /nfs/dbraw/zinc/77/60/07/556776007.db2.gz NENMRUMPZZJZDM-LJQANCHMSA-N -1 3 428.496 2.891 40 0 IFABHM CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C3CCC(C)CC3)[n-]c(=O)c2C1 ZINC000019524162 556781586 /nfs/dbraw/zinc/78/15/86/556781586.db2.gz MNLNFBHUHGIYTK-LBXVMSDZSA-N -1 3 438.576 2.900 40 0 IFABHM CCN(CC)CC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2)C3)CC1 ZINC000019526320 556784279 /nfs/dbraw/zinc/78/42/79/556784279.db2.gz GTLFBMCCGZNWJW-UHFFFAOYSA-N -1 3 437.588 2.788 40 0 IFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4cccnc4)C3)[n-]c(=O)c2C1 ZINC000019570609 556810886 /nfs/dbraw/zinc/81/08/86/556810886.db2.gz DEAZATYXWCXEQQ-LJQANCHMSA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1C ZINC000019571431 556811638 /nfs/dbraw/zinc/81/16/38/556811638.db2.gz XZGQJPQUAXGEKA-IBGZPJMESA-N -1 3 446.573 2.792 40 0 IFABHM Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(C)C)CC2 ZINC000019572185 556812270 /nfs/dbraw/zinc/81/22/70/556812270.db2.gz MUESHGYLFHQQJZ-IBGZPJMESA-N -1 3 439.560 2.632 40 0 IFABHM O=c1cc([C@H]2CCCN(Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccccn2)[n-]1 ZINC000072393251 556964306 /nfs/dbraw/zinc/96/43/06/556964306.db2.gz ROBRHKVZENMLPY-IBGZPJMESA-N -1 3 431.544 2.992 40 0 IFABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc(Cl)c1[O-] ZINC000409214960 557009589 /nfs/dbraw/zinc/00/95/89/557009589.db2.gz YVQATBQLOSGWNZ-PWDRSIHYSA-N -1 3 440.905 2.776 40 0 IFABHM CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000409388165 557099867 /nfs/dbraw/zinc/09/98/67/557099867.db2.gz CHVFTJAYBWKLPV-UHFFFAOYSA-N -1 3 436.530 2.808 40 0 IFABHM COc1cc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc(OC)c1OC ZINC000219285994 557235652 /nfs/dbraw/zinc/23/56/52/557235652.db2.gz PJHGUQNGTCSGGX-UHFFFAOYSA-N -1 3 428.894 2.667 40 0 IFABHM O=C(C1CC1)N1CCc2nc3cc(C4CCN(Cc5ccncc5)CC4)[n-]n3c(=O)c2C1 ZINC000100232606 557250142 /nfs/dbraw/zinc/25/01/42/557250142.db2.gz BIOMEVVBXCMWIP-UHFFFAOYSA-N -1 3 432.528 2.504 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223051754 557421775 /nfs/dbraw/zinc/42/17/75/557421775.db2.gz BSYQFDZSVVEYNE-RBSFLKMASA-N -1 3 439.516 2.634 40 0 IFABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000117532311 557474640 /nfs/dbraw/zinc/47/46/40/557474640.db2.gz LSDCVPDFAOSQHD-UHFFFAOYSA-N -1 3 447.250 2.644 40 0 IFABHM COc1ccc(C([O-])=C2[C@@H](c3ccc(O)c(OC)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000027664402 557576426 /nfs/dbraw/zinc/57/64/26/557576426.db2.gz MFKHXFHMYVBDGS-MDZRGWNJSA-N -1 3 440.374 2.513 40 0 IFABHM COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3cncc([N-]c4ncccn4)n3)CC1)CO2 ZINC000257313624 568717071 /nfs/dbraw/zinc/71/70/71/568717071.db2.gz UTKBSXHSQGAZMA-GOSISDBHSA-N -1 3 446.511 2.976 40 0 IFABHM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccncc2)C3)C1 ZINC000247951961 569206520 /nfs/dbraw/zinc/20/65/20/569206520.db2.gz SZOITKIURBBZOI-IWQHBPENSA-N -1 3 433.556 2.888 40 0 IFABHM O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1cccs1)C2 ZINC000019343672 569226324 /nfs/dbraw/zinc/22/63/24/569226324.db2.gz JXQVRBVMMRDDRI-RTBURBONSA-N -1 3 428.558 2.622 40 0 IFABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1 ZINC000107652708 569250852 /nfs/dbraw/zinc/25/08/52/569250852.db2.gz WIAMMXPQTICGQQ-UHFFFAOYSA-N -1 3 427.482 2.586 40 0 IFABHM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C(C)=O)cc1)CC(=O)N2 ZINC000139108560 569254797 /nfs/dbraw/zinc/25/47/97/569254797.db2.gz GRBSWAYYMRBNTN-DLBZAZTESA-N -1 3 437.500 2.806 40 0 IFABHM O=c1[n-]c(-c2ccc(I)cc2)nc2nc(Br)cnc12 ZINC000225733862 569407691 /nfs/dbraw/zinc/40/76/91/569407691.db2.gz YAYDPMVCWPOFRA-UHFFFAOYSA-N -1 3 429.015 2.747 40 0 IFABHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000022607777 526963841 /nfs/dbraw/zinc/96/38/41/526963841.db2.gz MZFWDOJAVRNBMJ-UHFFFAOYSA-N -1 3 445.571 2.848 40 0 IFABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](C1(C)CC1)N3)C2 ZINC000012143189 527092445 /nfs/dbraw/zinc/09/24/45/527092445.db2.gz WKHWOGSKRPQKKA-GJZGRUSLSA-N -1 3 436.438 2.561 40 0 IFABHM O=c1[n-]c(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2c1CCC2 ZINC000012113685 527439449 /nfs/dbraw/zinc/43/94/49/527439449.db2.gz XBKINHTUPQNQFP-UHFFFAOYSA-N -1 3 442.463 2.543 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000408591735 555952577 /nfs/dbraw/zinc/95/25/77/555952577.db2.gz JHZKCHRDUGGUAB-UHFFFAOYSA-N -1 3 445.585 2.567 40 0 IFABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 ZINC000408592810 555954312 /nfs/dbraw/zinc/95/43/12/555954312.db2.gz LVRXADPLEDDELA-UHFFFAOYSA-N -1 3 442.541 2.886 40 0 IFABHM Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccccc3Cl)C2)cc1C ZINC000408661435 556042133 /nfs/dbraw/zinc/04/21/33/556042133.db2.gz VVJYZBKNPMYNAH-HNNXBMFYSA-N -1 3 443.887 2.632 40 0 IFABHM Cc1ccc(NC(=N)Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000009935242 556318659 /nfs/dbraw/zinc/31/86/59/556318659.db2.gz ISXDPHBPGOXCEY-UHFFFAOYSA-N -1 3 433.501 2.805 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000027964432 556436446 /nfs/dbraw/zinc/43/64/46/556436446.db2.gz BMYFCEUFBLUOQH-LLVKDONJSA-N -1 3 431.919 2.570 40 0 IFABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 ZINC000016293352 556598515 /nfs/dbraw/zinc/59/85/15/556598515.db2.gz MAXZXSRPHQPXBZ-UHFFFAOYSA-N -1 3 428.514 2.578 40 0 IFABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c(Cl)c1 ZINC000038753861 556616816 /nfs/dbraw/zinc/61/68/16/556616816.db2.gz IWNXBTJYPNEXTD-UHFFFAOYSA-N -1 3 426.878 2.686 40 0 IFABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc54)[n-]c(=O)c32)c(F)c1 ZINC000038828236 556620367 /nfs/dbraw/zinc/62/03/67/556620367.db2.gz ZXMKKCYIKWBCAH-AWEZNQCLSA-N -1 3 433.443 2.976 40 0 IFABHM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)ccc1OC)CC(=O)N2 ZINC000040390623 556637417 /nfs/dbraw/zinc/63/74/17/556637417.db2.gz YSHGITFKPHSHGR-CABCVRRESA-N -1 3 439.516 2.920 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1N1CCCC1=O ZINC000044903648 556679052 /nfs/dbraw/zinc/67/90/52/556679052.db2.gz QOOBRPAHBPUJLS-UHFFFAOYSA-N -1 3 429.498 2.750 40 0 IFABHM O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C3CCOCC3)[n-]c(=O)c2C1 ZINC000019014774 556692082 /nfs/dbraw/zinc/69/20/82/556692082.db2.gz ZEDIOPUVMKGKSO-NRFANRHFSA-N -1 3 428.577 2.941 40 0 IFABHM Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)c1 ZINC000019234719 556719060 /nfs/dbraw/zinc/71/90/60/556719060.db2.gz HHXZYLBCOHDBIM-HSZRJFAPSA-N -1 3 443.551 2.938 40 0 IFABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)CC2 ZINC000019286410 556727675 /nfs/dbraw/zinc/72/76/75/556727675.db2.gz GTMPLLZVEIVPBU-UHFFFAOYSA-N -1 3 434.422 2.504 40 0 IFABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019333328 556737853 /nfs/dbraw/zinc/73/78/53/556737853.db2.gz PODPZFJDNWZYQB-FQEVSTJZSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2 ZINC000019333332 556737872 /nfs/dbraw/zinc/73/78/72/556737872.db2.gz PODPZFJDNWZYQB-HXUWFJFHSA-N -1 3 438.503 2.500 40 0 IFABHM O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCCCC3)[n-]c2=O)C1 ZINC000019337750 556739130 /nfs/dbraw/zinc/73/91/30/556739130.db2.gz CCFSZQQTUXVPLS-OAQYLSRUSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349313 556744582 /nfs/dbraw/zinc/74/45/82/556744582.db2.gz YCPHUXWVOUQXCE-OAQYLSRUSA-N -1 3 433.487 2.840 40 0 IFABHM C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459030 556766557 /nfs/dbraw/zinc/76/65/57/556766557.db2.gz WYUUSSLKNWGKSU-NQIIRXRSSA-N -1 3 443.551 2.843 40 0 IFABHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2 ZINC000019463363 556768063 /nfs/dbraw/zinc/76/80/63/556768063.db2.gz VTXAEANAAHESNQ-FRFSOERESA-N -1 3 426.542 2.740 40 0 IFABHM CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499391 556771572 /nfs/dbraw/zinc/77/15/72/556771572.db2.gz LGBABQGTFJLYRI-BEFAXECRSA-N -1 3 428.508 2.873 40 0 IFABHM O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000001334995 556776036 /nfs/dbraw/zinc/77/60/36/556776036.db2.gz BOHXSMMWFNPYRR-QGZVFWFLSA-N -1 3 432.459 2.722 40 0 IFABHM CCc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)CN(C(C)C)CC5)CC2)on1 ZINC000019522717 556780162 /nfs/dbraw/zinc/78/01/62/556780162.db2.gz TWTSRPPSEWCBRT-UHFFFAOYSA-N -1 3 438.532 2.772 40 0 IFABHM CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C[C@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000019524165 556781611 /nfs/dbraw/zinc/78/16/11/556781611.db2.gz QWPHMSAXUAZNNC-PXNSSMCTSA-N -1 3 436.560 2.678 40 0 IFABHM Cc1nn(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)c(C)c1C ZINC000019556496 556798957 /nfs/dbraw/zinc/79/89/57/556798957.db2.gz GCPCWQADSIUDMA-HXUWFJFHSA-N -1 3 426.565 2.824 40 0 IFABHM COc1ccc2nc(CN3CCc4c(nc(N5C[C@@H](C)O[C@@H](C)C5)[n-]c4=O)C3)ccc2c1 ZINC000072335594 556908422 /nfs/dbraw/zinc/90/84/22/556908422.db2.gz MNYOAYLEVBYXGA-IYBDPMFKSA-N -1 3 435.528 2.911 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377749 556956458 /nfs/dbraw/zinc/95/64/58/556956458.db2.gz DAGMBGHIUIFQCA-OAHLLOKOSA-N -1 3 426.502 2.587 40 0 IFABHM C[C@H](Cc1ccc2c(c1)OCO2)CN1CCc2c(=O)[n-]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000257293013 556999595 /nfs/dbraw/zinc/99/95/95/556999595.db2.gz QNUMIIOHSBFBEM-IKGGRYGDSA-N -1 3 440.544 2.761 40 0 IFABHM CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409218217 557012710 /nfs/dbraw/zinc/01/27/10/557012710.db2.gz ZJMKSUMQUFHYMK-GHXNOFRVSA-N -1 3 429.292 2.726 40 0 IFABHM CC(C)C(=O)N1CCc2nc3cc(C4CCN(CC5=CCCOC5)CC4)[n-]n3c(=O)c2C1 ZINC000100232600 557250165 /nfs/dbraw/zinc/25/01/65/557250165.db2.gz MBQOAPGSCALBOM-UHFFFAOYSA-N -1 3 439.560 2.502 40 0 IFABHM CCOc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000222726780 557379857 /nfs/dbraw/zinc/37/98/57/557379857.db2.gz RTFRVDVXOSDUJS-UHFFFAOYSA-N -1 3 432.527 2.976 40 0 IFABHM COC(=O)Cc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c1=O ZINC000013639842 557384898 /nfs/dbraw/zinc/38/48/98/557384898.db2.gz MAEJTWXLPYFVJP-UHFFFAOYSA-N -1 3 432.524 2.705 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223051827 557421824 /nfs/dbraw/zinc/42/18/24/557421824.db2.gz BSYQFDZSVVEYNE-KFWWJZLASA-N -1 3 439.516 2.634 40 0 IFABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]CCc3ccc(OC)c(OC)c3)cc2oc1=O ZINC000223360844 557462527 /nfs/dbraw/zinc/46/25/27/557462527.db2.gz MYVDXAMUHMQDRE-UHFFFAOYSA-N -1 3 440.905 2.806 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)[N-]c1nnc(SC)s1 ZINC000223402139 557467119 /nfs/dbraw/zinc/46/71/19/557467119.db2.gz QVQDWYVSBSBSEC-UHFFFAOYSA-N -1 3 442.588 2.942 40 0 IFABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)ccc1OC 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2.919 40 0 IFABHM COCc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448558 523211749 /nfs/dbraw/zinc/21/17/49/523211749.db2.gz YQYTZAQGRKEYGO-UHFFFAOYSA-N -1 3 448.523 2.558 40 0 IFABHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](C1(C)CC1)N3)C2 ZINC000012143191 527092571 /nfs/dbraw/zinc/09/25/71/527092571.db2.gz WKHWOGSKRPQKKA-LSDHHAIUSA-N -1 3 436.438 2.561 40 0 IFABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NC1CC1 ZINC000408559352 555899026 /nfs/dbraw/zinc/89/90/26/555899026.db2.gz LSQDRYIXZJRYOD-UHFFFAOYSA-N -1 3 425.304 2.907 40 0 IFABHM COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408595670 555962175 /nfs/dbraw/zinc/96/21/75/555962175.db2.gz SOGBJOAUFNVPAT-CYBMUJFWSA-N -1 3 442.921 2.679 40 0 IFABHM CCOC(=O)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408601411 555969796 /nfs/dbraw/zinc/96/97/96/555969796.db2.gz AUBFMJJRFLUTAB-LBPRGKRZSA-N -1 3 440.905 2.831 40 0 IFABHM COCCNC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408607875 555972194 /nfs/dbraw/zinc/97/21/94/555972194.db2.gz QTNPJOYXEFPWTM-MRXNPFEDSA-N -1 3 431.341 2.646 40 0 IFABHM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408636941 556019859 /nfs/dbraw/zinc/01/98/59/556019859.db2.gz WNNBUKFOYLMJSH-ZDUSSCGKSA-N -1 3 442.921 2.679 40 0 IFABHM Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1 ZINC000408654034 556031091 /nfs/dbraw/zinc/03/10/91/556031091.db2.gz JDKYISWLQUWRRX-OAHLLOKOSA-N -1 3 443.887 2.632 40 0 IFABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCOC)c(C)c2)cc1 ZINC000408675034 556066377 /nfs/dbraw/zinc/06/63/77/556066377.db2.gz PJMVUJVHHMWWBO-UHFFFAOYSA-N -1 3 436.530 2.726 40 0 IFABHM Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000010112991 556326187 /nfs/dbraw/zinc/32/61/87/556326187.db2.gz XNXMUOCAWBVRMH-INIZCTEOSA-N -1 3 431.514 2.528 40 0 IFABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000027959243 556435915 /nfs/dbraw/zinc/43/59/15/556435915.db2.gz RPWQHYZTZIZGBK-UHFFFAOYSA-N -1 3 429.878 2.631 40 0 IFABHM NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000016490416 556612283 /nfs/dbraw/zinc/61/22/83/556612283.db2.gz BDBPQKNMILZUHJ-UHFFFAOYSA-N -1 3 425.466 2.604 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388703 556636763 /nfs/dbraw/zinc/63/67/63/556636763.db2.gz BSYQFDZSVVEYNE-QLFBSQMISA-N -1 3 439.516 2.634 40 0 IFABHM COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21 ZINC000040390393 556636876 /nfs/dbraw/zinc/63/68/76/556636876.db2.gz GHGHXLOTDDQLCQ-UONOGXRCSA-N -1 3 425.489 2.530 40 0 IFABHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1 ZINC000040390665 556637621 /nfs/dbraw/zinc/63/76/21/556637621.db2.gz KZORVGXKHXXASI-IBGZPJMESA-N -1 3 443.507 2.960 40 0 IFABHM Cc1nn2c(nnc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396017 556638649 /nfs/dbraw/zinc/63/86/49/556638649.db2.gz KWTRXMQGKIEMAT-UHFFFAOYSA-N -1 3 431.843 2.847 40 0 IFABHM O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C3CCOCC3)[n-]c(=O)c2C1 ZINC000019014776 556692168 /nfs/dbraw/zinc/69/21/68/556692168.db2.gz ZEDIOPUVMKGKSO-OAQYLSRUSA-N -1 3 428.577 2.941 40 0 IFABHM COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)=O)C2 ZINC000019018934 556693087 /nfs/dbraw/zinc/69/30/87/556693087.db2.gz DPDXTGHLROWTHM-HXUWFJFHSA-N -1 3 438.528 2.782 40 0 IFABHM COCCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)cc(=O)[n-]2)CC1 ZINC000019081211 556695795 /nfs/dbraw/zinc/69/57/95/556695795.db2.gz WCLNXOLTHUAQAL-QGZVFWFLSA-N -1 3 432.565 2.677 40 0 IFABHM Cc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)c1 ZINC000019234758 556719007 /nfs/dbraw/zinc/71/90/07/556719007.db2.gz PQUSOVVGYYRQQP-NRFANRHFSA-N -1 3 434.540 2.669 40 0 IFABHM Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(Cc2cccnc2)CC3)c1 ZINC000019234720 556719120 /nfs/dbraw/zinc/71/91/20/556719120.db2.gz HHXZYLBCOHDBIM-QHCPKHFHSA-N -1 3 443.551 2.938 40 0 IFABHM O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019292804 556732374 /nfs/dbraw/zinc/73/23/74/556732374.db2.gz LIBHCLDZEVLFEZ-LJQANCHMSA-N -1 3 442.466 2.710 40 0 IFABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3cccnc3)nc2C1 ZINC000019337578 556738871 /nfs/dbraw/zinc/73/88/71/556738871.db2.gz QAZITFKTGBFUOV-SFHVURJKSA-N -1 3 449.536 2.792 40 0 IFABHM O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3cccnc3)nc2C1 ZINC000019337581 556738876 /nfs/dbraw/zinc/73/88/76/556738876.db2.gz QAZITFKTGBFUOV-GOSISDBHSA-N -1 3 449.536 2.792 40 0 IFABHM O=C(Cc1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019339357 556739517 /nfs/dbraw/zinc/73/95/17/556739517.db2.gz AOYVXFBJGOVNSV-FQEVSTJZSA-N -1 3 435.553 2.691 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(Cc4ccncc4)C3)[n-]c(=O)c2C1 ZINC000019342784 556740642 /nfs/dbraw/zinc/74/06/42/556740642.db2.gz BEDCHVQRIPABLT-KRWDZBQOSA-N -1 3 435.553 2.805 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019342745 556740722 /nfs/dbraw/zinc/74/07/22/556740722.db2.gz PAQMDWHTFGOALA-MRXNPFEDSA-N -1 3 440.569 2.926 40 0 IFABHM O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019342748 556740748 /nfs/dbraw/zinc/74/07/48/556740748.db2.gz PAQMDWHTFGOALA-INIZCTEOSA-N -1 3 440.569 2.926 40 0 IFABHM O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349294 556744190 /nfs/dbraw/zinc/74/41/90/556744190.db2.gz UVRHVPOOGKQLCB-QFIPXVFZSA-N -1 3 447.514 2.769 40 0 IFABHM O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1ccccc1F)CC2 ZINC000019349311 556744472 /nfs/dbraw/zinc/74/44/72/556744472.db2.gz YCPHUXWVOUQXCE-NRFANRHFSA-N -1 3 433.487 2.840 40 0 IFABHM O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2 ZINC000019370196 556747530 /nfs/dbraw/zinc/74/75/30/556747530.db2.gz DFCWYWWJLXAVTD-JOCHJYFZSA-N -1 3 429.524 2.629 40 0 IFABHM O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1 ZINC000019370654 556748136 /nfs/dbraw/zinc/74/81/36/556748136.db2.gz BPKYFPRIAMRGNY-OAQYLSRUSA-N -1 3 443.551 2.672 40 0 IFABHM O=C(c1ccncc1)N1CCC(c2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)CC1 ZINC000019372304 556748709 /nfs/dbraw/zinc/74/87/09/556748709.db2.gz FUGWDMPIHQREAN-UHFFFAOYSA-N -1 3 429.524 2.743 40 0 IFABHM O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CCCCC1)C2 ZINC000019400090 556752722 /nfs/dbraw/zinc/75/27/22/556752722.db2.gz WDKDOHVGINGSQK-OAQYLSRUSA-N -1 3 449.555 2.997 40 0 IFABHM O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3CCCC3)nc2C1 ZINC000019404927 556754531 /nfs/dbraw/zinc/75/45/31/556754531.db2.gz BGPHZIVTWXEYGB-FQEVSTJZSA-N -1 3 435.528 2.607 40 0 IFABHM CC(C)c1ccc(CN2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(S(C)(=O)=O)CC3)cc1 ZINC000019453260 556764025 /nfs/dbraw/zinc/76/40/25/556764025.db2.gz CIHYLNRTAJBKAB-NRFANRHFSA-N -1 3 444.601 2.938 40 0 IFABHM CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3(c4ccccc4)CC3)nc2C1 ZINC000019499099 556770827 /nfs/dbraw/zinc/77/08/27/556770827.db2.gz SVKDFPNYORVVLN-FQEVSTJZSA-N -1 3 434.540 2.850 40 0 IFABHM CC(C)CC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1 ZINC000001325256 556771146 /nfs/dbraw/zinc/77/11/46/556771146.db2.gz KPTZXTMJLHUETA-OAHLLOKOSA-N -1 3 428.924 2.968 40 0 IFABHM CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C)CC3)C1 ZINC000019499387 556771520 /nfs/dbraw/zinc/77/15/20/556771520.db2.gz KEVVMLYFPQQZKR-IERDGZPVSA-N -1 3 440.544 2.742 40 0 IFABHM COc1ccc(OC)c(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c1 ZINC000019551324 556795712 /nfs/dbraw/zinc/79/57/12/556795712.db2.gz MWTQGLHTAMJNPZ-UHFFFAOYSA-N -1 3 440.525 2.859 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)c5ccccn5)C4)nc3C2)cc1 ZINC000019555648 556798680 /nfs/dbraw/zinc/79/86/80/556798680.db2.gz KGQFEEYUUZMBLD-SFHVURJKSA-N -1 3 445.523 2.774 40 0 IFABHM COc1ccc(CN2CCc3c(=O)[n-]c(-c4ccncc4)nc3C2)cc1CN1CCCC1 ZINC000019559163 556801117 /nfs/dbraw/zinc/80/11/17/556801117.db2.gz IMZWCHFRIGLMRN-UHFFFAOYSA-N -1 3 431.540 2.995 40 0 IFABHM COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4ccccn4)C3)[n-]c(=O)c2C1 ZINC000019570603 556810704 /nfs/dbraw/zinc/81/07/04/556810704.db2.gz UFGZFMLEYUQMRY-GOSISDBHSA-N -1 3 445.523 2.774 40 0 IFABHM CSCC[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019573949 556814009 /nfs/dbraw/zinc/81/40/09/556814009.db2.gz ZORDBZYVDVBDLC-AEFFLSMTSA-N -1 3 449.536 2.868 40 0 IFABHM COc1ccc(C(=O)N2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc1Cn1nc(C)cc1C ZINC000072336088 556909449 /nfs/dbraw/zinc/90/94/49/556909449.db2.gz JUAOFFHYABRPJX-NQIIRXRSSA-N -1 3 447.539 2.751 40 0 IFABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000409168829 556983256 /nfs/dbraw/zinc/98/32/56/556983256.db2.gz UKQHNOBXFDRYCY-UHFFFAOYSA-N -1 3 442.368 2.616 40 0 IFABHM COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc(Br)c1[O-] ZINC000409211616 557006164 /nfs/dbraw/zinc/00/61/64/557006164.db2.gz MCCICSHFLHVOPG-MLPAPPSSSA-N -1 3 443.319 2.972 40 0 IFABHM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)n2)cc1 ZINC000219226127 557232142 /nfs/dbraw/zinc/23/21/42/557232142.db2.gz GGMMZMCGXBSEHO-UHFFFAOYSA-N -1 3 426.498 2.959 40 0 IFABHM CC(C)C(=O)N1CCc2nc3cc(C4CCN(Cc5ccncc5)CC4)[n-]n3c(=O)c2C1 ZINC000100232624 557250152 /nfs/dbraw/zinc/25/01/52/557250152.db2.gz YWIYTKSMIBHOPP-UHFFFAOYSA-N -1 3 434.544 2.750 40 0 IFABHM CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000100688393 557269863 /nfs/dbraw/zinc/26/98/63/557269863.db2.gz NYASBDSNKYVUHZ-OKILXGFUSA-N -1 3 447.586 2.642 40 0 IFABHM O=C(Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000223127124 557435456 /nfs/dbraw/zinc/43/54/56/557435456.db2.gz UNADJLFXWBIHFK-UHFFFAOYSA-N -1 3 443.982 2.598 40 0 IFABHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OCC ZINC000223736994 557507375 /nfs/dbraw/zinc/50/73/75/557507375.db2.gz CCZXYHDVXRCZJU-LBPRGKRZSA-N -1 3 442.563 2.970 40 0 IFABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(OC)c(OC)c1OC ZINC000224016017 557544911 /nfs/dbraw/zinc/54/49/11/557544911.db2.gz NHZIFIBETBOYQK-UHFFFAOYSA-N -1 3 446.319 2.962 40 0 IFABHM COc1cc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)ccc1OC(C)C ZINC000224699793 557641800 /nfs/dbraw/zinc/64/18/00/557641800.db2.gz OHOUIHPJUUFZTL-UHFFFAOYSA-N -1 3 442.563 2.797 40 0 IFABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCOCC1 ZINC000224913787 557666302 /nfs/dbraw/zinc/66/63/02/557666302.db2.gz MPNZEJIMQQXPBT-UHFFFAOYSA-N -1 3 445.541 2.569 40 0 IFABHM COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)c(OC)c1 ZINC000225928053 557793398 /nfs/dbraw/zinc/79/33/98/557793398.db2.gz ACRPBVBIHNUPHT-UHFFFAOYSA-N -1 3 426.441 2.573 40 0 IFABHM COc1ccc(S(=O)(=O)N2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1C ZINC000257219869 568674436 /nfs/dbraw/zinc/67/44/36/568674436.db2.gz DIODXQRDDJMGJH-UHFFFAOYSA-N -1 3 440.529 2.896 40 0 IFABHM O=C(CN1CC(=O)[N-]C1=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000257227944 568677892 /nfs/dbraw/zinc/67/78/92/568677892.db2.gz FRRBQWHXUIDDBD-GOSISDBHSA-N -1 3 446.429 2.907 40 0 IFABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(C(=O)[C@@H](N)CCC(=O)[O-])C[C@@H]3C[C@H]21 ZINC000257238540 568683246 /nfs/dbraw/zinc/68/32/46/568683246.db2.gz HLMJVTKQXRZTBO-WQFOIGCBSA-N -1 3 436.936 2.998 40 0 IFABHM COc1ccccc1S(=O)(=O)N1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257322362 568721049 /nfs/dbraw/zinc/72/10/49/568721049.db2.gz WFRRTTKMDIYXKQ-UHFFFAOYSA-N -1 3 426.502 2.587 40 0 IFABHM CCOc1cc(CN2CC[C@@H](Cc3nccnc3-c3ncc[nH]3)C2)ccc1OCC(=O)[O-] ZINC000257336472 568727025 /nfs/dbraw/zinc/72/70/25/568727025.db2.gz YOPWKIOGGXHEBZ-KRWDZBQOSA-N -1 3 437.500 2.793 40 0 IFABHM