smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 ZINC000012233429 521610743 /nfs/dbraw/zinc/61/07/43/521610743.db2.gz HEGQRLOIFZGHRL-ITSWEJNFSA-N 0 1 433.499 3.672 40 0 IHABMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000408547204 555802124 /nfs/dbraw/zinc/80/21/24/555802124.db2.gz VDJCCOWVXVSKMU-UHFFFAOYSA-N 0 1 444.553 3.599 40 0 IHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000408693515 556099285 /nfs/dbraw/zinc/09/92/85/556099285.db2.gz YGAXSWRVWCZXCW-UHFFFAOYSA-N 0 1 448.541 3.529 40 0 IHABMN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000039755358 556439065 /nfs/dbraw/zinc/43/90/65/556439065.db2.gz UYLAGBMFQPCBNL-FQEVSTJZSA-N 0 1 439.531 3.585 40 0 IHABMN Cc1nc2nc3ccn(-c4nnc(C5CCCCC5)[nH]4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398582 556640356 /nfs/dbraw/zinc/64/03/56/556640356.db2.gz KWIIUKRFEFLHTK-UHFFFAOYSA-N 0 1 444.474 3.709 40 0 IHABMN Cc1nc2nc3ccn(-c4n[nH]c(C5CCCCC5)n4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398582 556640361 /nfs/dbraw/zinc/64/03/61/556640361.db2.gz KWIIUKRFEFLHTK-UHFFFAOYSA-N 0 1 444.474 3.709 40 0 IHABMN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000044880221 556674180 /nfs/dbraw/zinc/67/41/80/556674180.db2.gz FWSWKMJAEJVASQ-HXUWFJFHSA-N 0 1 440.525 3.690 40 0 IHABMN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1C ZINC000044899847 556676613 /nfs/dbraw/zinc/67/66/13/556676613.db2.gz RQXYZAJGLQNXRD-QGZVFWFLSA-N 0 1 425.510 3.905 40 0 IHABMN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000044946333 556683490 /nfs/dbraw/zinc/68/34/90/556683490.db2.gz KKRYKEYDTQHCKJ-INIZCTEOSA-N 0 1 448.504 3.837 40 0 IHABMN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCc3cnc[nH]3)CCOCC2)cc1 ZINC000257199955 556701005 /nfs/dbraw/zinc/70/10/05/556701005.db2.gz ABKSAABJZYMJCZ-UHFFFAOYSA-N 0 1 437.515 3.923 40 0 IHABMN Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N(C(C)C)C(C)C)C2)on1 ZINC000019124116 556702556 /nfs/dbraw/zinc/70/25/56/556702556.db2.gz OTWHISXVBUPTTA-IBGZPJMESA-N 0 1 438.576 3.826 40 0 IHABMN Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)cc1 ZINC000019135211 556705730 /nfs/dbraw/zinc/70/57/30/556705730.db2.gz AIPFSPLTDSUUJE-IBGZPJMESA-N 0 1 448.592 3.718 40 0 IHABMN COCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000019237545 556722441 /nfs/dbraw/zinc/72/24/41/556722441.db2.gz ROCWPPBSTBOGDN-VWLOTQADSA-N 0 1 445.567 3.563 40 0 IHABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000013749929 556725577 /nfs/dbraw/zinc/72/55/77/556725577.db2.gz VQCOQBCTHBUVPH-VJBWXMMDSA-N 0 1 448.450 3.894 40 0 IHABMN CC(C)C(=O)N(CC1CCCCC1)[C@H]1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2)C1 ZINC000055168445 556736564 /nfs/dbraw/zinc/73/65/64/556736564.db2.gz FPBVVFJBCOBVPJ-FCHUYYIVSA-N 0 1 434.024 3.876 40 0 IHABMN O=C(CC1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019343636 556741568 /nfs/dbraw/zinc/74/15/68/556741568.db2.gz QRWYQWJEVAFDPW-SFHVURJKSA-N 0 1 440.613 3.676 40 0 IHABMN O=C(c1ccn[nH]1)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019344216 556742035 /nfs/dbraw/zinc/74/20/35/556742035.db2.gz VGUYALZRRWOHAT-NSHDSACASA-N 0 1 432.431 3.829 40 0 IHABMN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C=C4CCN(C)CC4)C3)cc2n1 ZINC000019452392 556763360 /nfs/dbraw/zinc/76/33/60/556763360.db2.gz WJOBEKSBHCUEBE-MRXNPFEDSA-N 0 1 435.494 3.839 40 0 IHABMN CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019501163 556772607 /nfs/dbraw/zinc/77/26/07/556772607.db2.gz LLPGCLUKQOZLIC-SFHVURJKSA-N 0 1 437.588 3.655 40 0 IHABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000006576907 556837511 /nfs/dbraw/zinc/83/75/11/556837511.db2.gz KGEQGIAXPBGPBH-FDFHNCONSA-N 0 1 434.423 3.591 40 0 IHABMN CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCc3ccccc3OC(C)C)c2C1 ZINC000019711368 556875802 /nfs/dbraw/zinc/87/58/02/556875802.db2.gz GQQYLPWVLZEJIE-FQEVSTJZSA-N 0 1 437.588 3.590 40 0 IHABMN CCn1nc(C)c(CN2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)c1C ZINC000019741494 556883963 /nfs/dbraw/zinc/88/39/63/556883963.db2.gz BFNUIRFJBFCKLV-FQEVSTJZSA-N 0 1 436.604 3.687 40 0 IHABMN Cc1nc([C@H]2CCCN2C(=O)CN2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755060 556898259 /nfs/dbraw/zinc/89/82/59/556898259.db2.gz XGGSULWFQGKYAE-OAQYLSRUSA-N 0 1 439.535 3.572 40 0 IHABMN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cc1F ZINC000072371426 556938753 /nfs/dbraw/zinc/93/87/53/556938753.db2.gz NPZDGWALOZTVSJ-MRXNPFEDSA-N 0 1 447.507 3.796 40 0 IHABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc21 ZINC000072374561 556948487 /nfs/dbraw/zinc/94/84/87/556948487.db2.gz MZOMUIKTEDFVKT-NRFANRHFSA-N 0 1 446.555 3.878 40 0 IHABMN COc1ccc(NC(=O)CN2CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C2)cc1 ZINC000072374849 556949062 /nfs/dbraw/zinc/94/90/62/556949062.db2.gz NFZCHCCVHIEAMD-GOSISDBHSA-N 0 1 432.528 3.750 40 0 IHABMN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000019932963 556949544 /nfs/dbraw/zinc/94/95/44/556949544.db2.gz GFGFZWYKYPVKLU-CQSZACIVSA-N 0 1 431.901 3.942 40 0 IHABMN CCc1nnc(Nc2cccc([C@@H]3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1 ZINC000072375957 556953593 /nfs/dbraw/zinc/95/35/93/556953593.db2.gz YKVVYUPGQCDELN-QGZVFWFLSA-N 0 1 428.606 3.677 40 0 IHABMN CO[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1 ZINC000257261870 556989488 /nfs/dbraw/zinc/98/94/88/556989488.db2.gz LJCVTNNPCAXGQM-IRJFHVNHSA-N 0 1 428.552 3.512 40 0 IHABMN O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccs1 ZINC000585110152 557043043 /nfs/dbraw/zinc/04/30/43/557043043.db2.gz PWJFRGLYNLJZFP-PMACEKPBSA-N 0 1 432.549 3.567 40 0 IHABMN O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccc(F)c1 ZINC000585110133 557043133 /nfs/dbraw/zinc/04/31/33/557043133.db2.gz MYYAQBIWSDULEG-PKTZIBPZSA-N 0 1 444.510 3.644 40 0 IHABMN Cc1ccc(N2C(=O)C(OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c(C)c1 ZINC000409297591 557054655 /nfs/dbraw/zinc/05/46/55/557054655.db2.gz KZLSIMAQLUPHJJ-VXKWHMMOSA-N 0 1 443.455 3.628 40 0 IHABMN Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c(C)c1 ZINC000409297591 557054658 /nfs/dbraw/zinc/05/46/58/557054658.db2.gz KZLSIMAQLUPHJJ-VXKWHMMOSA-N 0 1 443.455 3.628 40 0 IHABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102743881 557132234 /nfs/dbraw/zinc/13/22/34/557132234.db2.gz UIBYGIRRCNPPCR-XPWALMASSA-N 0 1 430.460 3.842 40 0 IHABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102743881 557132237 /nfs/dbraw/zinc/13/22/37/557132237.db2.gz UIBYGIRRCNPPCR-XPWALMASSA-N 0 1 430.460 3.842 40 0 IHABMN CC(=O)Nc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102763569 557132647 /nfs/dbraw/zinc/13/26/47/557132647.db2.gz IYRVNKAGCDPRBN-XPWALMASSA-N 0 1 445.450 3.835 40 0 IHABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 ZINC000008810709 557173083 /nfs/dbraw/zinc/17/30/83/557173083.db2.gz QESATBUPRMTJNZ-UHFFFAOYSA-N 0 1 446.431 3.805 40 0 IHABMN CC(C)[N@H+]1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4cccc(F)c4)[n-]n3c2=O)C1 ZINC000100234050 557252058 /nfs/dbraw/zinc/25/20/58/557252058.db2.gz VPCVHVHXQFCGIY-NRFANRHFSA-N 0 1 437.519 3.708 40 0 IHABMN Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c(C)c1 ZINC000222983138 557411415 /nfs/dbraw/zinc/41/14/15/557411415.db2.gz QUZXIFSUOVIJEN-HNNXBMFYSA-N 0 1 430.555 3.755 40 0 IHABMN O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2Cl)s1)c1ccccc1Cl ZINC000224168694 557569771 /nfs/dbraw/zinc/56/97/71/557569771.db2.gz VHNOARCJHZJZJK-UHFFFAOYSA-N 0 1 429.310 3.898 40 0 IHABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1)c1ccccc1Cl ZINC000225449468 557724156 /nfs/dbraw/zinc/72/41/56/557724156.db2.gz DFGHVRXNJAQSAM-UHFFFAOYSA-N 0 1 443.337 3.576 40 0 IHABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000225452284 557724449 /nfs/dbraw/zinc/72/44/49/557724449.db2.gz SUBWVXLOJFVGCJ-UHFFFAOYSA-N 0 1 443.337 3.576 40 0 IHABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3cc(C)ccc3C)s2)cc1 ZINC000225564977 557743220 /nfs/dbraw/zinc/74/32/20/557743220.db2.gz IEIXRCJTCHVKAZ-HNNXBMFYSA-N 0 1 430.555 3.755 40 0 IHABMN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000225639081 557755230 /nfs/dbraw/zinc/75/52/30/557755230.db2.gz VKKBJWYWHLHYFD-MOHJPFBDSA-N 0 1 444.535 3.749 40 0 IHABMN Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 ZINC000061997573 557830025 /nfs/dbraw/zinc/83/00/25/557830025.db2.gz LSGWJALQGUMIRM-QMZMJUJGSA-N 0 1 438.612 3.710 40 0 IHABMN Cc1nc2cc([C@@H]3CC[N@H+](C4CCCCC4)C3)[n-]n2c(=O)c1CCC(=O)NC1CCCC1 ZINC000257210881 568670168 /nfs/dbraw/zinc/67/01/68/568670168.db2.gz BWNUTRJMNWAFLI-GOSISDBHSA-N 0 1 439.604 3.857 40 0 IHABMN Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)cc2[nH]1 ZINC000257219010 568673982 /nfs/dbraw/zinc/67/39/82/568673982.db2.gz DFGFFUZKCPSCIP-INIZCTEOSA-N 0 1 430.512 3.937 40 0 IHABMN CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCCC(=O)Nc1ncc[nH]1 ZINC000257266468 568695954 /nfs/dbraw/zinc/69/59/54/568695954.db2.gz MDDYHGZCNOFACM-MOPGFXCFSA-N 0 1 427.549 3.544 40 0 IHABMN Cc1nc2cc([C@H]3CCC[N@H+]3C[C@H]3CC=CCC3)[n-]n2c(=O)c1CCC(=O)N1CCCC1 ZINC000257271238 568698185 /nfs/dbraw/zinc/69/81/85/568698185.db2.gz MXLCDTCQBNFGPR-SIKLNZKXSA-N 0 1 437.588 3.792 40 0 IHABMN CC(=O)N(c1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccnc(N3CCCCC3)n1)CC2 ZINC000257326321 568722820 /nfs/dbraw/zinc/72/28/20/568722820.db2.gz WWTVTVWQBRCVHX-DEOSSOPVSA-N 0 1 449.599 3.644 40 0 IHABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccc1Cl)C[C@@H]2c1cccnc1 ZINC000306137470 568770184 /nfs/dbraw/zinc/77/01/84/568770184.db2.gz QXHLOHRQTQHRIS-RCZVLFRGSA-N 0 1 448.954 3.527 40 0 IHABMN O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019014874 569226159 /nfs/dbraw/zinc/22/61/59/569226159.db2.gz WXPNYVUTICKDGZ-KNQAVFIVSA-N 0 1 442.604 3.886 40 0 IHABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000026115786 569242336 /nfs/dbraw/zinc/24/23/36/569242336.db2.gz VWOGMPRTEGHUCT-UHFFFAOYSA-N 0 1 448.566 3.622 40 0 IHABMN Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009318260 569295391 /nfs/dbraw/zinc/29/53/91/569295391.db2.gz LKCKDRMAWUHSIF-ANAFOTAVSA-N 0 1 437.499 3.579 40 0 IHABMN O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703649 569327290 /nfs/dbraw/zinc/32/72/90/569327290.db2.gz MQSRVTOOXPBAOH-NRFANRHFSA-N 0 1 429.517 3.837 40 0 IHABMN CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)CC1 ZINC000035425481 519511656 /nfs/dbraw/zinc/51/16/56/519511656.db2.gz LNXOLVRIOMJXNH-NRFANRHFSA-N 0 1 439.560 3.991 40 0 biogenic,in-vitro IHABMN CCOc1ncc([C@@]2(O)CCC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 ZINC000012233425 521610029 /nfs/dbraw/zinc/61/00/29/521610029.db2.gz HEGQRLOIFZGHRL-GRWTVWFQSA-N 0 1 433.499 3.672 40 0 IHABMN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020458139 523053334 /nfs/dbraw/zinc/05/33/34/523053334.db2.gz SPJAYWTWBDSSRS-HXUWFJFHSA-N 0 1 441.509 3.687 40 0 IHABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cccc(OC)c3F)C1)O2 ZINC000012235430 525538579 /nfs/dbraw/zinc/53/85/79/525538579.db2.gz FKJBRMVKNDEVTA-MHECFPHRSA-N 0 1 442.531 3.865 40 0 IHABMN COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c(OC)cc1Cl ZINC000408601374 555969883 /nfs/dbraw/zinc/96/98/83/555969883.db2.gz GDOJLJLFWYXGGK-UHFFFAOYSA-N 0 1 438.933 3.702 40 0 IHABMN COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000006025241 556072945 /nfs/dbraw/zinc/07/29/45/556072945.db2.gz XDDJUQXOKHAUTA-MDWZMJQESA-N 0 1 438.509 3.555 40 0 IHABMN COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc(C(=O)OC)c1 ZINC000039742553 556438013 /nfs/dbraw/zinc/43/80/13/556438013.db2.gz LUCYFIFOXUVNOJ-UHFFFAOYSA-N 0 1 444.915 3.764 40 0 IHABMN COc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1OC ZINC000015321570 556520715 /nfs/dbraw/zinc/52/07/15/556520715.db2.gz FJUVGLOTOUQEHV-VZUCSPMQSA-N 0 1 438.509 3.926 40 0 IHABMN C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857123 556672821 /nfs/dbraw/zinc/67/28/21/556672821.db2.gz ZMZOHKFSQLMFBO-INIZCTEOSA-N 0 1 434.989 3.833 40 0 IHABMN COc1ccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1Cn1cccn1 ZINC000019021087 556693611 /nfs/dbraw/zinc/69/36/11/556693611.db2.gz JYUCPDAGZQGPNZ-UHFFFAOYSA-N 0 1 436.531 3.707 40 0 IHABMN COc1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)s1 ZINC000019288915 556728834 /nfs/dbraw/zinc/72/88/34/556728834.db2.gz PLXRAYYGNPZMDI-UHFFFAOYSA-N 0 1 428.533 3.691 40 0 IHABMN CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000019448059 556757219 /nfs/dbraw/zinc/75/72/19/556757219.db2.gz JBLKIMWVVMNMBK-HXUWFJFHSA-N 0 1 439.585 3.559 40 0 IHABMN COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)cc1 ZINC000019555508 556798222 /nfs/dbraw/zinc/79/82/22/556798222.db2.gz 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557226945 /nfs/dbraw/zinc/22/69/45/557226945.db2.gz CONRTKCKTDOCJN-UHFFFAOYSA-N 0 1 428.418 3.728 40 0 IHABMN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)n2)c1 ZINC000219412028 557243382 /nfs/dbraw/zinc/24/33/82/557243382.db2.gz UBRKDDZPONITOI-UHFFFAOYSA-N 0 1 440.931 3.927 40 0 IHABMN O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCC[N@H+]4C[C@H]4CC=CCC4)[n-]n3c(=O)c2C1 ZINC000100233922 557251343 /nfs/dbraw/zinc/25/13/43/557251343.db2.gz KAROHKRSNGBZCA-HTAPYJJXSA-N 0 1 435.572 3.613 40 0 IHABMN O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000100233928 557251415 /nfs/dbraw/zinc/25/14/15/557251415.db2.gz CSMUYOWCZFAHRF-FQEVSTJZSA-N 0 1 437.569 3.518 40 0 IHABMN COCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000057712244 557258880 /nfs/dbraw/zinc/25/88/80/557258880.db2.gz FBXCANGVJBRBNR-UHFFFAOYSA-N 0 1 431.515 3.971 40 0 IHABMN Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O ZINC000100658297 557268497 /nfs/dbraw/zinc/26/84/97/557268497.db2.gz PLFDODPJTLJYQW-UHGJSFDGSA-N 0 1 448.611 3.759 40 0 IHABMN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000017095088 557485506 /nfs/dbraw/zinc/48/55/06/557485506.db2.gz OQOHUTHLXGLCJC-UHFFFAOYSA-N 0 1 426.586 3.600 40 0 IHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c(OC)c1 ZINC000224521489 557616027 /nfs/dbraw/zinc/61/60/27/557616027.db2.gz LFAJSMAOGMTGPM-UHFFFAOYSA-N 0 1 442.493 3.522 40 0 IHABMN COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c(OC)c1 ZINC000028206615 557646433 /nfs/dbraw/zinc/64/64/33/557646433.db2.gz ZTYGEKFLXBVECR-UHFFFAOYSA-N 0 1 438.505 3.708 40 0 IHABMN Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 ZINC000061997574 557830010 /nfs/dbraw/zinc/83/00/10/557830010.db2.gz LSGWJALQGUMIRM-SIWUVWLXSA-N 0 1 438.612 3.710 40 0 IHABMN CC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015707187 560096408 /nfs/dbraw/zinc/09/64/08/560096408.db2.gz MNBCFBZKGLNWGM-FQEVSTJZSA-N 0 1 428.452 3.994 40 0 biogenic,in-vitro IHABMN CC(C)c1cc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccc(F)cc2)n[nH]1 ZINC000257228501 568678262 /nfs/dbraw/zinc/67/82/62/568678262.db2.gz FUCZKHTVDWZWPM-HSZRJFAPSA-N 0 1 434.515 3.865 40 0 IHABMN CC(C)c1ccc(OCCc2cc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n[nH]2)cc1 ZINC000257241091 568684258 /nfs/dbraw/zinc/68/42/58/568684258.db2.gz HWOHEDVMPJUSAR-QHCPKHFHSA-N 0 1 449.555 3.580 40 0 IHABMN COc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000257293897 568708305 /nfs/dbraw/zinc/70/83/05/568708305.db2.gz QRQNSAOQFQGBIB-HDICACEKSA-N 0 1 438.572 3.770 40 0 IHABMN CCCN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000257301400 568711910 /nfs/dbraw/zinc/71/19/10/568711910.db2.gz RYHNBDCJDDPQSM-QHCPKHFHSA-N 0 1 430.552 3.938 40 0 IHABMN CCCc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)Cc3ccccc3)C2)no1 ZINC000257316120 568718129 /nfs/dbraw/zinc/71/81/29/568718129.db2.gz VEFMWSVYCDVMMO-GOSISDBHSA-N 0 1 435.528 3.642 40 0 IHABMN COCCNC(=O)c1sc2nccnc2c1[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000257331240 568724922 /nfs/dbraw/zinc/72/49/22/568724922.db2.gz XRYCGJSBUDLIPV-MRXNPFEDSA-N 0 1 428.533 3.586 40 0 IHABMN CCOc1ccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5N(C(C)=O)C4)n[nH]2)cc1 ZINC000257341910 568729468 /nfs/dbraw/zinc/72/94/68/568729468.db2.gz ZMKBBLWPXIXDNC-IYSVFYNNSA-N 0 1 436.556 3.870 40 0 IHABMN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCC(=O)Nc1nccs1 ZINC000257343634 568730183 /nfs/dbraw/zinc/73/01/83/568730183.db2.gz ZTUWXYAITMABTI-MSOLQXFVSA-N 0 1 430.574 3.887 40 0 IHABMN COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CC=CCC4)[nH]c(=O)c3C2)cc1 ZINC000247867452 569206348 /nfs/dbraw/zinc/20/63/48/569206348.db2.gz BNQWYXJCFUPZJG-XXBNENTESA-N 0 1 448.567 3.769 40 0 IHABMN CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@@H+]4C[C@@H](C)c4ccccc4)[n-]n3c(=O)c2C1 ZINC000247923299 569206524 /nfs/dbraw/zinc/20/65/24/569206524.db2.gz HSVQOCLFQBBCCN-HXOBKFHXSA-N 0 1 433.556 3.670 40 0 IHABMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000010130847 569221617 /nfs/dbraw/zinc/22/16/17/569221617.db2.gz JQZUPTGJKVDPKI-OQLLNIDSSA-N 0 1 430.913 3.751 40 0 IHABMN NC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCCN2Cc3ccccc3C2)C1 ZINC000019702474 569232096 /nfs/dbraw/zinc/23/20/96/569232096.db2.gz BFFNUHLYLSBHIG-SFHVURJKSA-N 0 1 434.565 3.507 40 0 IHABMN Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2ccc3c(n[nH]c3NC3CCOCC3)n2)C1 ZINC000019705080 569233734 /nfs/dbraw/zinc/23/37/34/569233734.db2.gz XOCAOLYXAMJEBX-GOSISDBHSA-N 0 1 449.555 3.561 40 0 IHABMN COc1cccc(CC(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NCc4ccccn4)n3)C2)c1 ZINC000019704940 569233809 /nfs/dbraw/zinc/23/38/09/569233809.db2.gz WMQNYCAWJRJUMU-GOSISDBHSA-N 0 1 442.523 3.532 40 0 IHABMN Cc1oc2c(c1C(=O)N1CC[C@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C1)CCCC2 ZINC000019705149 569233969 /nfs/dbraw/zinc/23/39/69/569233969.db2.gz ARDQTWFQEMZOCN-INIZCTEOSA-N 0 1 449.555 3.959 40 0 IHABMN CCn1cc(CN2CC[C@@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)cn1 ZINC000019738831 569236062 /nfs/dbraw/zinc/23/60/62/569236062.db2.gz JGNYSBUAPJAZRS-HXUWFJFHSA-N 0 1 448.546 3.609 40 0 IHABMN CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019739233 569236623 /nfs/dbraw/zinc/23/66/23/569236623.db2.gz GKOJFRWKUYQXGI-XMMPIXPASA-N 0 1 425.577 3.817 40 0 IHABMN Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)n1 ZINC000019766680 569239444 /nfs/dbraw/zinc/23/94/44/569239444.db2.gz GWULBFRHWIHTDO-NRFANRHFSA-N 0 1 432.528 3.539 40 0 IHABMN COc1cc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)cc(OC)c1OC ZINC000096112316 291369329 /nfs/dbraw/zinc/36/93/29/291369329.db2.gz IUVZMVGCUJCMQX-IERDGZPVSA-N 0 1 429.492 3.636 40 0 biogenic,in-vitro IHABMN O=C(NCc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297696 291375059 /nfs/dbraw/zinc/37/50/59/291375059.db2.gz FRPXQLIDGXYTQJ-BKULYWANSA-N 0 1 447.608 3.597 40 0 biogenic,in-vitro IHABMN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020490862 521925323 /nfs/dbraw/zinc/92/53/23/521925323.db2.gz JIZLRELGFYAXDQ-INIZCTEOSA-N 0 1 425.510 3.851 40 0 IHABMN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020456839 522869095 /nfs/dbraw/zinc/86/90/95/522869095.db2.gz ZFBSRQQCNWIXLJ-IBGZPJMESA-N 0 1 440.525 3.690 40 0 IHABMN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2)cn1 ZINC000035425460 524041860 /nfs/dbraw/zinc/04/18/60/524041860.db2.gz RJULFYCLRSCBLU-NRFANRHFSA-N 0 1 433.512 3.986 40 0 biogenic,in-vitro IHABMN Cc1ccc(CN2CCC(O)(Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)CC2)o1 ZINC000012188499 524441528 /nfs/dbraw/zinc/44/15/28/524441528.db2.gz JGNJWGMXSOMVEP-OAHLLOKOSA-N 0 1 427.570 3.511 40 0 IHABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccc(F)cc1F ZINC000408542948 555790702 /nfs/dbraw/zinc/79/07/02/555790702.db2.gz LUFHBXLTSXHTBT-UHFFFAOYSA-N 0 1 441.257 3.949 40 0 IHABMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000039768379 556437303 /nfs/dbraw/zinc/43/73/03/556437303.db2.gz RUFWDSJRYHFAHJ-UHFFFAOYSA-N 0 1 444.915 3.764 40 0 IHABMN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 ZINC000030856491 556510071 /nfs/dbraw/zinc/51/00/71/556510071.db2.gz KIEQPRNTLVZSPC-QGZVFWFLSA-N 0 1 440.525 3.609 40 0 IHABMN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030866649 556512405 /nfs/dbraw/zinc/51/24/05/556512405.db2.gz JBEBEBDVSGZXCT-AWEZNQCLSA-N 0 1 431.901 3.942 40 0 IHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 ZINC000015437356 556527573 /nfs/dbraw/zinc/52/75/73/556527573.db2.gz CSBKBDMUUVYLTH-UHFFFAOYSA-N 0 1 430.457 3.653 40 0 IHABMN Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013668976 556549592 /nfs/dbraw/zinc/54/95/92/556549592.db2.gz UKBAEWPERBWWJK-UHFFFAOYSA-N 0 1 429.586 3.792 40 0 IHABMN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000044946338 556683541 /nfs/dbraw/zinc/68/35/41/556683541.db2.gz KKRYKEYDTQHCKJ-MRXNPFEDSA-N 0 1 448.504 3.837 40 0 IHABMN Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N3CCCCCC3)C2)on1 ZINC000019124146 556702599 /nfs/dbraw/zinc/70/25/99/556702599.db2.gz RADVYAFKFLGFDD-IBGZPJMESA-N 0 1 436.560 3.583 40 0 IHABMN COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCc3cnc[nH]3)CCOCC2)c1 ZINC000257321432 556704177 /nfs/dbraw/zinc/70/41/77/556704177.db2.gz WBRBFZXSYIQHAP-UHFFFAOYSA-N 0 1 437.515 3.923 40 0 IHABMN Cc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000019211342 556709098 /nfs/dbraw/zinc/70/90/98/556709098.db2.gz KFPQYKPCUWLCCO-UHFFFAOYSA-N 0 1 438.553 3.563 40 0 IHABMN c1cn2cc(C[C@@H]3COCCN(Cc4ccccc4OCc4ccccc4)C3)ncc2n1 ZINC000257231246 556709389 /nfs/dbraw/zinc/70/93/89/556709389.db2.gz GFXLOLKBROCMOA-QFIPXVFZSA-N 0 1 428.536 3.999 40 0 IHABMN O=C(CCNc1ncnc2ccccc21)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257283543 556715288 /nfs/dbraw/zinc/71/52/88/556715288.db2.gz OYUBMQUQVCINMM-HXUWFJFHSA-N 0 1 445.502 3.644 40 0 IHABMN O=C(CCNc1ncnc2ccccc21)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257283543 556715289 /nfs/dbraw/zinc/71/52/89/556715289.db2.gz OYUBMQUQVCINMM-HXUWFJFHSA-N 0 1 445.502 3.644 40 0 IHABMN Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)c1 ZINC000019234715 556719100 /nfs/dbraw/zinc/71/91/00/556719100.db2.gz UVZBTUDRDKYTNH-DLUKIOLESA-N 0 1 448.611 3.921 40 0 IHABMN Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)c1 ZINC000019234715 556719101 /nfs/dbraw/zinc/71/91/01/556719101.db2.gz UVZBTUDRDKYTNH-DLUKIOLESA-N 0 1 448.611 3.921 40 0 IHABMN CC(C)c1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)n[nH]1 ZINC000019451733 556762462 /nfs/dbraw/zinc/76/24/62/556762462.db2.gz SSOPJSODGWWGEG-AREMUKBSSA-N 0 1 445.567 3.758 40 0 IHABMN CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019500098 556772152 /nfs/dbraw/zinc/77/21/52/556772152.db2.gz JQCGSOQJZISENK-IBGZPJMESA-N 0 1 438.572 3.501 40 0 IHABMN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1OC ZINC000019559908 556801545 /nfs/dbraw/zinc/80/15/45/556801545.db2.gz CSWLEDBZLRTTHX-RBUKOAKNSA-N 0 1 433.932 3.741 40 0 IHABMN COc1cccc(CN2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1OC ZINC000019567644 556807935 /nfs/dbraw/zinc/80/79/35/556807935.db2.gz WPWZKVIATDVYAR-DEOSSOPVSA-N 0 1 446.551 3.877 40 0 IHABMN Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(Cc1cccc3cccnc31)C2 ZINC000019701241 556861327 /nfs/dbraw/zinc/86/13/27/556861327.db2.gz SVHSEEHVCOTWEK-QHCPKHFHSA-N 0 1 443.526 3.566 40 0 IHABMN Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(Cc1cccc3cccnc31)C2 ZINC000019701240 556861341 /nfs/dbraw/zinc/86/13/41/556861341.db2.gz SVHSEEHVCOTWEK-HSZRJFAPSA-N 0 1 443.526 3.566 40 0 IHABMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cc1F ZINC000019742513 556886520 /nfs/dbraw/zinc/88/65/20/556886520.db2.gz CLDGPTCADQTQER-AWEZNQCLSA-N 0 1 443.426 3.532 40 0 IHABMN COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1 ZINC000408916965 556888597 /nfs/dbraw/zinc/88/85/97/556888597.db2.gz JSGAVHJSDYSRFL-MKMNVTDBSA-N 0 1 437.677 3.870 40 0 IHABMN C[C@]1(C2CCN(CC(=O)N3CCCCC3)CC2)CCCCN(Cc2ccccc2)C1=O ZINC000019744114 556889721 /nfs/dbraw/zinc/88/97/21/556889721.db2.gz FVRQJNKTULXFNO-AREMUKBSSA-N 0 1 425.617 3.930 40 0 IHABMN Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCCN2CCc1ccccc1 ZINC000019754745 556897770 /nfs/dbraw/zinc/89/77/70/556897770.db2.gz GRYUNDHMIRZOIC-FQEVSTJZSA-N 0 1 430.556 3.523 40 0 IHABMN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4cccc(F)c4)C3)nc2C)c1 ZINC000019758286 556902134 /nfs/dbraw/zinc/90/21/34/556902134.db2.gz HXKBNHXFCZSAPY-HXUWFJFHSA-N 0 1 434.515 3.852 40 0 IHABMN COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C1)OCCO2 ZINC000072353459 556926892 /nfs/dbraw/zinc/92/68/92/556926892.db2.gz NTEZCKUAVKCCCB-QGZVFWFLSA-N 0 1 433.512 3.775 40 0 IHABMN Cc1nc(Cn2ncc3ccccc3c2=O)cc(NC[C@@H](c2ccccc2Cl)N(C)C)n1 ZINC000072373352 556946592 /nfs/dbraw/zinc/94/65/92/556946592.db2.gz TZOGMQHAQOHIMJ-QFIPXVFZSA-N 0 1 448.958 3.911 40 0 IHABMN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 ZINC000072374938 556949436 /nfs/dbraw/zinc/94/94/36/556949436.db2.gz NHRDUCYTSBBMIL-FQEVSTJZSA-N 0 1 430.556 3.728 40 0 IHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)n1 ZINC000020106834 556982976 /nfs/dbraw/zinc/98/29/76/556982976.db2.gz OIWWWOWOLLPAMN-UHFFFAOYSA-N 0 1 446.916 3.565 40 0 IHABMN COc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000102692817 557131198 /nfs/dbraw/zinc/13/11/98/557131198.db2.gz YXULWJUBTNSZEX-XPWALMASSA-N 0 1 430.460 3.755 40 0 IHABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000102692817 557131203 /nfs/dbraw/zinc/13/12/03/557131203.db2.gz YXULWJUBTNSZEX-XPWALMASSA-N 0 1 430.460 3.755 40 0 IHABMN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102710689 557133196 /nfs/dbraw/zinc/13/31/96/557133196.db2.gz QVKLBFGOEMTFQC-XPWALMASSA-N 0 1 430.460 3.760 40 0 IHABMN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216457290 557146982 /nfs/dbraw/zinc/14/69/82/557146982.db2.gz DVXJAVKMTHDTAA-HXUWFJFHSA-N 0 1 429.473 3.818 40 0 IHABMN COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)n2)cc1 ZINC000219410523 557243203 /nfs/dbraw/zinc/24/32/03/557243203.db2.gz FKXACGBTFFXIMY-UHFFFAOYSA-N 0 1 440.931 3.927 40 0 IHABMN O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccsc4)[n-]n3c(=O)c2C1 ZINC000100233930 557251557 /nfs/dbraw/zinc/25/15/57/557251557.db2.gz HHVCZIMFWFUWHV-HXUWFJFHSA-N 0 1 437.569 3.518 40 0 IHABMN CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4csc(C)c4)[n-]n3c(=O)c2C1 ZINC000100234015 557251943 /nfs/dbraw/zinc/25/19/43/557251943.db2.gz CSBWHRZLIYVQKQ-HXUWFJFHSA-N 0 1 439.585 3.827 40 0 IHABMN COC(=O)c1ccc2nc(NC(=O)CSc3nc4ccc(OC)cc4[nH]3)sc2c1 ZINC000013568915 557347546 /nfs/dbraw/zinc/34/75/46/557347546.db2.gz CIHICQLTENCOIM-UHFFFAOYSA-N 0 1 428.495 3.699 40 0 IHABMN NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000223299196 557456783 /nfs/dbraw/zinc/45/67/83/557456783.db2.gz ZJPRIENGYADEOW-UHFFFAOYSA-N 0 1 432.885 3.797 40 0 IHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000224572543 557625502 /nfs/dbraw/zinc/62/55/02/557625502.db2.gz HQGNRHLDGCQJSJ-UHFFFAOYSA-N 0 1 444.484 3.961 40 0 IHABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3cc(C)ccc3C)s2)c1 ZINC000224761866 557648835 /nfs/dbraw/zinc/64/88/35/557648835.db2.gz WPCFAVHJHUGLJY-OAHLLOKOSA-N 0 1 430.555 3.755 40 0 IHABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000224940513 557669372 /nfs/dbraw/zinc/66/93/72/557669372.db2.gz KDFGNOWQGJBGPS-UHFFFAOYSA-N 0 1 437.514 3.732 40 0 IHABMN O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000059401500 557822587 /nfs/dbraw/zinc/82/25/87/557822587.db2.gz PUUCJOIHHFGAAG-UHFFFAOYSA-N 0 1 429.520 3.985 40 0 IHABMN Cc1cc(C[N@H+]2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc(C(=O)[O-])c1O ZINC000257212241 568670812 /nfs/dbraw/zinc/67/08/12/568670812.db2.gz CCMNHASYUANSKR-DBQGFPOUSA-N 0 1 439.508 3.996 40 0 IHABMN COc1cccc(-c2cncc([C@H]3CN(C(=O)c4[nH]nc5ccc(C)cc54)CCO3)n2)c1 ZINC000257223879 568676180 /nfs/dbraw/zinc/67/61/80/568676180.db2.gz DZIGNWFVJUUFHR-JOCHJYFZSA-N 0 1 429.480 3.551 40 0 IHABMN c1cc2c(C[C@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)cccn2n1 ZINC000257227381 568677632 /nfs/dbraw/zinc/67/76/32/568677632.db2.gz FPABGPADEGOBQI-JOCHJYFZSA-N 0 1 428.536 3.999 40 0 IHABMN Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)n1 ZINC000257231489 568679564 /nfs/dbraw/zinc/67/95/64/568679564.db2.gz GGXVNBCOOVZVBJ-HXUWFJFHSA-N 0 1 449.555 3.896 40 0 IHABMN Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 ZINC000257278134 568701460 /nfs/dbraw/zinc/70/14/60/568701460.db2.gz OAYIZLVGHSZPIJ-JOCHJYFZSA-N 0 1 447.501 3.995 40 0 IHABMN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5ccc(F)cc5)[nH]n4)C3)c2c1 ZINC000257288638 568706320 /nfs/dbraw/zinc/70/63/20/568706320.db2.gz PVAXLRWOBNHTPX-QFIPXVFZSA-N 0 1 449.486 3.569 40 0 IHABMN COc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000257293899 568708551 /nfs/dbraw/zinc/70/85/51/568708551.db2.gz QRQNSAOQFQGBIB-ROUUACIJSA-N 0 1 438.572 3.770 40 0 IHABMN Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257304108 568713083 /nfs/dbraw/zinc/71/30/83/568713083.db2.gz SKCWAAYDMMOEAN-SFHVURJKSA-N 0 1 432.933 3.663 40 0 IHABMN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccccc1F)C[C@@H]2c1cccnc1 ZINC000306144499 568773885 /nfs/dbraw/zinc/77/38/85/568773885.db2.gz ZGQGJEDOAQAVAC-ZEQKJWHPSA-N 0 1 431.511 3.618 40 0 IHABMN CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000224344996 568922960 /nfs/dbraw/zinc/92/29/60/568922960.db2.gz ICJYOWBVNAEHBG-UHFFFAOYSA-N 0 1 430.361 3.641 40 0 IHABMN COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C[C@@H]4C=CCC4)[nH]c(=O)c3C2)cc1 ZINC000247908838 569206337 /nfs/dbraw/zinc/20/63/37/569206337.db2.gz UBWKYTZCKVZNMI-JPYJTQIMSA-N 0 1 448.567 3.769 40 0 IHABMN COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000009062675 569219661 /nfs/dbraw/zinc/21/96/61/569219661.db2.gz UTURLQIRLGBNKM-UHFFFAOYSA-N 0 1 432.948 3.894 40 0 IHABMN O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@@H](c2ccc3c(n[nH]c3NC3CCOCC3)n2)C1 ZINC000019705158 569234023 /nfs/dbraw/zinc/23/40/23/569234023.db2.gz OBPVXJWIDIHJSD-OAHLLOKOSA-N 0 1 448.502 3.799 40 0 IHABMN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019713106 569235451 /nfs/dbraw/zinc/23/54/51/569235451.db2.gz HVAMXLXEICMECU-RPWUZVMVSA-N 0 1 449.599 3.631 40 0 IHABMN Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763495 569238076 /nfs/dbraw/zinc/23/80/76/569238076.db2.gz ZPTYATBSKZZZBK-LJQANCHMSA-N 0 1 446.555 3.581 40 0 IHABMN CCc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3OC)C(=O)NC2=S)cc1 ZINC000033666966 569245603 /nfs/dbraw/zinc/24/56/03/569245603.db2.gz SCTWPVWGUBECRZ-FOWTUZBSSA-N 0 1 426.494 3.946 40 0 IHABMN COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)c1 ZINC000033783054 569246867 /nfs/dbraw/zinc/24/68/67/569246867.db2.gz MMMJGEQLBURZTQ-UDWIEESQSA-N 0 1 447.447 3.976 40 0 IHABMN CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O ZINC000205703853 569255526 /nfs/dbraw/zinc/25/55/26/569255526.db2.gz YWUBHLXRPFTHPA-NYYWCZLTSA-N 0 1 434.695 3.796 40 0 IHABMN COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CCCCC2)n(C)n1 ZINC000012601977 291372089 /nfs/dbraw/zinc/37/20/89/291372089.db2.gz FDRVQVYFEKHQJJ-VWPQPMDRSA-N 0 1 436.600 3.970 40 0 biogenic,in-vitro IHABMN CC[NH+](CC)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000006213729 193892654 /nfs/dbraw/zinc/89/26/54/193892654.db2.gz FAMIEGBCSBBETC-UHFFFAOYSA-N 0 1 425.554 3.712 40 0 IHABMN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000020450792 523042260 /nfs/dbraw/zinc/04/22/60/523042260.db2.gz HCWUAQVFWRSLED-LJQANCHMSA-N 0 1 444.488 3.521 40 0 IHABMN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccc(OC)c(OC)c4)s3)[nH]n2)cc1 ZINC000022505252 523089053 /nfs/dbraw/zinc/08/90/53/523089053.db2.gz LEYLGLBCJQILRV-UHFFFAOYSA-N 0 1 434.481 3.936 40 0 IHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 ZINC000408555113 555886406 /nfs/dbraw/zinc/88/64/06/555886406.db2.gz DPIQLXIYGLXUES-UHFFFAOYSA-N 0 1 432.542 3.876 40 0 IHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c1 ZINC000408573377 555923285 /nfs/dbraw/zinc/92/32/85/555923285.db2.gz CZYRQTXDTQYLKP-UHFFFAOYSA-N 0 1 430.457 3.896 40 0 IHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408601735 555970294 /nfs/dbraw/zinc/97/02/94/555970294.db2.gz GVYCFNZKYDDUHP-CQSZACIVSA-N 0 1 440.949 3.689 40 0 IHABMN CCCC1=NC(=S)N[C@@H](c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1C(=O)OCC ZINC000408603380 555972244 /nfs/dbraw/zinc/97/22/44/555972244.db2.gz GFZOBRAIMKAEML-IBGZPJMESA-N 0 1 428.510 3.869 40 0 IHABMN COc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408610293 555980700 /nfs/dbraw/zinc/98/07/00/555980700.db2.gz OSSFGAMEWNCQFP-MRXNPFEDSA-N 0 1 432.542 3.712 40 0 IHABMN O=C(CN1CCC(n2nnc3ccccc32)CC1)NC(c1ccccc1)c1ccccc1 ZINC000004968192 556024511 /nfs/dbraw/zinc/02/45/11/556024511.db2.gz VIBDDEYAZURIPZ-UHFFFAOYSA-N 0 1 425.536 3.974 40 0 IHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000408706419 556112865 /nfs/dbraw/zinc/11/28/65/556112865.db2.gz PHEARUJNPGAVHB-UHFFFAOYSA-N 0 1 432.542 3.767 40 0 IHABMN COc1ccc2nc(SCC(=O)Nc3cccc(I)c3)[nH]c2c1 ZINC000008758729 556211306 /nfs/dbraw/zinc/21/13/06/556211306.db2.gz VLPKRTDYXQFVAT-UHFFFAOYSA-N 0 1 439.278 3.907 40 0 IHABMN COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000013713737 556285735 /nfs/dbraw/zinc/28/57/35/556285735.db2.gz ILJJGQCDYHLQGO-VJBWXMMDSA-N 0 1 442.471 3.833 40 0 IHABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)cc1 ZINC000010111235 556325694 /nfs/dbraw/zinc/32/56/94/556325694.db2.gz KGHPCOKUCNMWRV-UHFFFAOYSA-N 0 1 429.586 3.792 40 0 IHABMN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)c1 ZINC000010112488 556325954 /nfs/dbraw/zinc/32/59/54/556325954.db2.gz FTRDPJRSSZQGIG-UHFFFAOYSA-N 0 1 429.586 3.628 40 0 IHABMN Cc1cc(CN2CCCCC2)oc1C(=O)N1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000012086068 556399383 /nfs/dbraw/zinc/39/93/83/556399383.db2.gz XGKZSCXTGKHICG-JDITYXQVSA-N 0 1 448.567 3.608 40 0 IHABMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC([C@H]3CC(=O)c4cc(C)ccc4O3)CC2)n[nH]1 ZINC000012087397 556400604 /nfs/dbraw/zinc/40/06/04/556400604.db2.gz DPJSJUYSNHICOI-HSZRJFAPSA-N 0 1 447.539 3.622 40 0 IHABMN COc1cc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cc2c1OCO2 ZINC000012154673 556402791 /nfs/dbraw/zinc/40/27/91/556402791.db2.gz XEIGZFGKJQYSMC-UHFFFAOYSA-N 0 1 437.544 3.726 40 0 IHABMN CN(c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1)S(C)(=O)=O ZINC000039772486 556437834 /nfs/dbraw/zinc/43/78/34/556437834.db2.gz NHCUIEPGZDSNBH-UHFFFAOYSA-N 0 1 435.977 3.587 40 0 IHABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000030859980 556510742 /nfs/dbraw/zinc/51/07/42/556510742.db2.gz ATGFKCAISRRXHR-GOSISDBHSA-N 0 1 446.916 3.727 40 0 IHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000015437417 556527535 /nfs/dbraw/zinc/52/75/35/556527535.db2.gz TUHMSQFTLOUUQV-UHFFFAOYSA-N 0 1 430.457 3.653 40 0 IHABMN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2C)c1 ZINC000013670614 556551597 /nfs/dbraw/zinc/55/15/97/556551597.db2.gz WKWSACZAKURQLT-UHFFFAOYSA-N 0 1 443.613 3.956 40 0 IHABMN CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013672458 556552963 /nfs/dbraw/zinc/55/29/63/556552963.db2.gz SFPIKZCEUCWMKD-OAQYLSRUSA-N 0 1 429.586 3.872 40 0 IHABMN CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013672458 556552965 /nfs/dbraw/zinc/55/29/65/556552965.db2.gz SFPIKZCEUCWMKD-OAQYLSRUSA-N 0 1 429.586 3.872 40 0 IHABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000100990996 556633635 /nfs/dbraw/zinc/63/36/35/556633635.db2.gz KGEQGIAXPBGPBH-FSSWDIPSSA-N 0 1 434.423 3.591 40 0 IHABMN C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857124 556672937 /nfs/dbraw/zinc/67/29/37/556672937.db2.gz ZMZOHKFSQLMFBO-MRXNPFEDSA-N 0 1 434.989 3.833 40 0 IHABMN O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019343234 556741091 /nfs/dbraw/zinc/74/10/91/556741091.db2.gz SOZNTVNVLAXUQI-OAQYLSRUSA-N 0 1 440.613 3.819 40 0 IHABMN O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019343234 556741095 /nfs/dbraw/zinc/74/10/95/556741095.db2.gz SOZNTVNVLAXUQI-OAQYLSRUSA-N 0 1 440.613 3.819 40 0 IHABMN O=C(c1ccn[nH]1)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019344213 556742052 /nfs/dbraw/zinc/74/20/52/556742052.db2.gz VGUYALZRRWOHAT-LLVKDONJSA-N 0 1 432.431 3.829 40 0 IHABMN O=C(CCc1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019405077 556754798 /nfs/dbraw/zinc/75/47/98/556754798.db2.gz KUXLSCHPLNSMBM-QHCPKHFHSA-N 0 1 449.599 3.542 40 0 IHABMN O=C(CCc1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019405077 556754800 /nfs/dbraw/zinc/75/48/00/556754800.db2.gz KUXLSCHPLNSMBM-QHCPKHFHSA-N 0 1 449.599 3.542 40 0 IHABMN C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019462898 556767892 /nfs/dbraw/zinc/76/78/92/556767892.db2.gz HKGCNPDTZSDSCW-HBFSDRIKSA-N 0 1 449.599 3.511 40 0 IHABMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000001335235 556776016 /nfs/dbraw/zinc/77/60/16/556776016.db2.gz IGPRXFXRJGDHIU-UHFFFAOYSA-N 0 1 438.572 3.964 40 0 IHABMN CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)cc1 ZINC000019584793 556822029 /nfs/dbraw/zinc/82/20/29/556822029.db2.gz IUGMXDRVANKUMY-QHCPKHFHSA-N 0 1 449.599 3.916 40 0 IHABMN CNc1ncccc1CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019592037 556828000 /nfs/dbraw/zinc/82/80/00/556828000.db2.gz CSIZNTVDGIPQJS-VWLOTQADSA-N 0 1 429.568 3.831 40 0 IHABMN CC1CCN(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)CC1 ZINC000019694009 556848970 /nfs/dbraw/zinc/84/89/70/556848970.db2.gz IQOPXDGNOHVVTB-HXUWFJFHSA-N 0 1 439.579 3.787 40 0 IHABMN CCN(CC)C(=O)CN1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019744908 556891587 /nfs/dbraw/zinc/89/15/87/556891587.db2.gz LPKBORZFJAKHCZ-UHFFFAOYSA-N 0 1 438.551 3.757 40 0 IHABMN CN(C(=O)CN1CCC[C@H](c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)C1)C1CCCCC1 ZINC000072374481 556948294 /nfs/dbraw/zinc/94/82/94/556948294.db2.gz ZKMMFXCHMWQWOH-ZDUSSCGKSA-N 0 1 438.498 3.529 40 0 IHABMN CN(C(=O)CN1CCC[C@H](c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)C1)C1CCCCC1 ZINC000072374481 556948301 /nfs/dbraw/zinc/94/83/01/556948301.db2.gz ZKMMFXCHMWQWOH-ZDUSSCGKSA-N 0 1 438.498 3.529 40 0 IHABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)n1 ZINC000072375025 556950039 /nfs/dbraw/zinc/95/00/39/556950039.db2.gz JSIRJSLMPYOGNZ-KRWDZBQOSA-N 0 1 441.532 3.939 40 0 IHABMN Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)C[N@@H+](C(C)C)CC5)CC2)cs1 ZINC000072398763 556970675 /nfs/dbraw/zinc/97/06/75/556970675.db2.gz VJAWXXLNKCPXGM-UHFFFAOYSA-N 0 1 439.585 3.591 40 0 IHABMN 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3.691 40 0 IHABMN COc1ccccc1CNC(=O)CN1CCC[C@](COc2ccc(C)cc2)(OC)CC1 ZINC000257237402 556710036 /nfs/dbraw/zinc/71/00/36/556710036.db2.gz HGGWGNYWOPFNMT-VWLOTQADSA-N 0 1 426.557 3.570 40 0 IHABMN Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)CCNC2=O)cc1 ZINC000019212885 556710587 /nfs/dbraw/zinc/71/05/87/556710587.db2.gz NLNKQAIXMHWJHH-NRFANRHFSA-N 0 1 430.552 3.939 40 0 IHABMN CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)ccc21 ZINC000019214578 556711274 /nfs/dbraw/zinc/71/12/74/556711274.db2.gz QLSHZVLBWSRHBV-DEOSSOPVSA-N 0 1 427.976 3.803 40 0 IHABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019238668 556723728 /nfs/dbraw/zinc/72/37/28/556723728.db2.gz JOZLCNPDHCOIMW-LJQANCHMSA-N 0 1 426.586 3.552 40 0 IHABMN Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[n-]c(=O)c2C1 ZINC000019238668 556723732 /nfs/dbraw/zinc/72/37/32/556723732.db2.gz JOZLCNPDHCOIMW-LJQANCHMSA-N 0 1 426.586 3.552 40 0 IHABMN O=C(C[C@@H]1C=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292143 556732243 /nfs/dbraw/zinc/73/22/43/556732243.db2.gz OEYKVSHIONPAMC-GOSISDBHSA-N 0 1 449.599 3.798 40 0 IHABMN O=C(c1ccccc1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019368690 556746633 /nfs/dbraw/zinc/74/66/33/556746633.db2.gz FPWNTGIRGBOMGP-UHFFFAOYSA-N 0 1 445.567 3.755 40 0 IHABMN O=C(CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1)NC1CCCC1 ZINC000019368992 556746942 /nfs/dbraw/zinc/74/69/42/556746942.db2.gz YBAIWFWJAIKNOJ-SDHOMARFSA-N 0 1 449.570 3.815 40 0 IHABMN O=C(COc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019373453 556750450 /nfs/dbraw/zinc/75/04/50/556750450.db2.gz LYJSQPQAPAHHFP-QFIPXVFZSA-N 0 1 436.556 3.616 40 0 IHABMN CC(C)c1cc(C(=O)N2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)n[nH]1 ZINC000019451855 556762656 /nfs/dbraw/zinc/76/26/56/556762656.db2.gz OUIHGMKKYUCHKP-NRFANRHFSA-N 0 1 430.552 3.973 40 0 IHABMN CC(C)c1cc(C(=O)N2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)n[nH]1 ZINC000019451857 556762698 /nfs/dbraw/zinc/76/26/98/556762698.db2.gz OUIHGMKKYUCHKP-OAQYLSRUSA-N 0 1 430.552 3.973 40 0 IHABMN C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 ZINC000019459024 556766405 /nfs/dbraw/zinc/76/64/05/556766405.db2.gz DSVBFHRNFXXDHL-ICSRJNTNSA-N 0 1 434.584 3.580 40 0 IHABMN CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)[nH]n2)c1C ZINC000019523865 556781006 /nfs/dbraw/zinc/78/10/06/556781006.db2.gz VIJACXKFZFQPHK-UHFFFAOYSA-N 0 1 434.544 3.717 40 0 IHABMN CCN(CC)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3)o1 ZINC000019526450 556784613 /nfs/dbraw/zinc/78/46/13/556784613.db2.gz OPBOASYNMRKCNF-UHFFFAOYSA-N 0 1 430.936 3.563 40 0 IHABMN COc1cc(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)cc(OC)c1 ZINC000019595120 556830807 /nfs/dbraw/zinc/83/08/07/556830807.db2.gz CISBFOSXHBFMDD-HSZRJFAPSA-N 0 1 431.536 3.557 40 0 IHABMN Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)C1 ZINC000019742162 556886000 /nfs/dbraw/zinc/88/60/00/556886000.db2.gz UYRVLGNHWVHMOB-NSHDSACASA-N 0 1 436.438 3.999 40 0 IHABMN Nc1[nH]nc2nc([C@H]3CCCCN3CC(=O)Nc3ccccc3F)cc(C(F)(F)F)c12 ZINC000019743406 556887955 /nfs/dbraw/zinc/88/79/55/556887955.db2.gz DMXAGUVDRAECBA-OAHLLOKOSA-N 0 1 436.413 3.864 40 0 IHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408916996 556888583 /nfs/dbraw/zinc/88/85/83/556888583.db2.gz KIVCILUTVFEWDN-CXUHLZMHSA-N 0 1 431.286 3.916 40 0 IHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000409047065 556931564 /nfs/dbraw/zinc/93/15/64/556931564.db2.gz MMNKSGJSOFBVOW-LZYBPNLTSA-N 0 1 431.286 3.916 40 0 IHABMN Cc1nc2ccccc2n1Cc1cc(NCC2(N3CCOCC3)CCCCC2)nc(C)n1 ZINC000072373214 556945699 /nfs/dbraw/zinc/94/56/99/556945699.db2.gz NRVWSPCTMYHITR-UHFFFAOYSA-N 0 1 434.588 3.938 40 0 IHABMN COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cc1 ZINC000072380184 556957940 /nfs/dbraw/zinc/95/79/40/556957940.db2.gz GZPBANQNSHHALC-MRXNPFEDSA-N 0 1 433.434 3.864 40 0 IHABMN C[C@H]1Cc2cc(CN3CCNC(=O)[C@H](Cc4ccc(-c5ccncc5)cc4)C3)ccc2O1 ZINC000072388972 556959026 /nfs/dbraw/zinc/95/90/26/556959026.db2.gz MFOUOGIBOBVVPZ-UQBPGWFLSA-N 0 1 427.548 3.863 40 0 IHABMN COc1ccc(-c2nc(NC(=O)c3cc(-c4cnn(C)c4C)n[nH]3)sc2C)cc1F ZINC000072390455 556960740 /nfs/dbraw/zinc/96/07/40/556960740.db2.gz XVXGUSSMADFISM-UHFFFAOYSA-N 0 1 426.477 3.951 40 0 IHABMN COc1cc(CN2CCN(Cc3c4cccnc4[nH]c3C3CC3)CC2)cc(OC)c1OC ZINC000072393361 556964235 /nfs/dbraw/zinc/96/42/35/556964235.db2.gz YSJZHTVXHUHTNW-UHFFFAOYSA-N 0 1 436.556 3.784 40 0 IHABMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 ZINC000072393658 556964839 /nfs/dbraw/zinc/96/48/39/556964839.db2.gz DQADLWOBEHPFCR-CQSZACIVSA-N 0 1 441.417 3.553 40 0 IHABMN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1C ZINC000020040054 556971414 /nfs/dbraw/zinc/97/14/14/556971414.db2.gz LFRWOIPPOTWDJG-KRWDZBQOSA-N 0 1 425.510 3.905 40 0 IHABMN CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)CC1 ZINC000409410647 557103893 /nfs/dbraw/zinc/10/38/93/557103893.db2.gz ZBWLZDXFBOTXLV-UHFFFAOYSA-N 0 1 435.977 3.535 40 0 IHABMN CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)CC1 ZINC000409410647 557103897 /nfs/dbraw/zinc/10/38/97/557103897.db2.gz ZBWLZDXFBOTXLV-UHFFFAOYSA-N 0 1 435.977 3.535 40 0 IHABMN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000005949366 557144986 /nfs/dbraw/zinc/14/49/86/557144986.db2.gz LFIRKZZFXWCHMT-UHFFFAOYSA-N 0 1 432.977 3.617 40 0 IHABMN CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1ccsc1)CC3 ZINC000100233828 557251438 /nfs/dbraw/zinc/25/14/38/557251438.db2.gz SDQCUUQFMSTEOY-FQEVSTJZSA-N 0 1 439.585 3.764 40 0 IHABMN CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4sccc4C)[n-]n3c(=O)c2C1 ZINC000100233984 557251860 /nfs/dbraw/zinc/25/18/60/557251860.db2.gz OQFWLPVLTIQOCD-LJQANCHMSA-N 0 1 439.585 3.827 40 0 IHABMN CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4csc(C)c4)[n-]n3c(=O)c2C1 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439.331 3.694 40 0 IHABMN COc1ccc(-c2nnsc2C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000225887382 557788883 /nfs/dbraw/zinc/78/88/83/557788883.db2.gz OZEDJIIMNMGLQQ-UHFFFAOYSA-N 0 1 438.538 3.521 40 0 IHABMN CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000257201417 568665733 /nfs/dbraw/zinc/66/57/33/568665733.db2.gz AHQLHOFDFITKKU-MHECFPHRSA-N 0 1 431.527 3.622 40 0 IHABMN O=C(CCc1n[nH]c2c1CCCC2)N1CCO[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257226848 568677622 /nfs/dbraw/zinc/67/76/22/568677622.db2.gz FMKVUCMBRNBTSZ-RUZDIDTESA-N 0 1 448.542 3.946 40 0 IHABMN Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N(C)C2CCCCC2)C1 ZINC000257227877 568677937 /nfs/dbraw/zinc/67/79/37/568677937.db2.gz FRIPJCSILXOCIK-SFHVURJKSA-N 0 1 441.576 3.758 40 0 IHABMN CC(C)c1cc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)n[nH]1 ZINC000257228502 568678171 /nfs/dbraw/zinc/67/81/71/568678171.db2.gz FUCZKHTVDWZWPM-QHCPKHFHSA-N 0 1 434.515 3.865 40 0 IHABMN COc1ccccc1CC(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000257232506 568680034 /nfs/dbraw/zinc/68/00/34/568680034.db2.gz GLDAGASFSWDDAN-QZTJIDSGSA-N 0 1 438.572 3.770 40 0 IHABMN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257239076 568683551 /nfs/dbraw/zinc/68/35/51/568683551.db2.gz HNWDFTBSGZPADJ-NRFANRHFSA-N 0 1 447.514 3.634 40 0 IHABMN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257239076 568683552 /nfs/dbraw/zinc/68/35/52/568683552.db2.gz HNWDFTBSGZPADJ-NRFANRHFSA-N 0 1 447.514 3.634 40 0 IHABMN Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)cc2[nH]1 ZINC000257243798 568685536 /nfs/dbraw/zinc/68/55/36/568685536.db2.gz IIOXMPOQNRVXDH-KRWDZBQOSA-N 0 1 430.512 3.708 40 0 IHABMN Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)n2)cc1 ZINC000257299501 568711154 /nfs/dbraw/zinc/71/11/54/568711154.db2.gz RQIOOJKDTHAIRD-NRFANRHFSA-N 0 1 447.558 3.818 40 0 IHABMN CC(C(=O)N1CCC[C@H](c2n[n-]cc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 ZINC000257301676 568711759 /nfs/dbraw/zinc/71/17/59/568711759.db2.gz RZJKAAQXPAQKLT-SFHVURJKSA-N 0 1 437.565 3.525 40 0 IHABMN O=C1O[C@@]2(CN1CCc1ccccc1)CCCN(Cc1ccnc(N3CCCCC3)n1)CC2 ZINC000257301607 568711819 /nfs/dbraw/zinc/71/18/19/568711819.db2.gz RZCVUYIXXHOJKZ-SANMLTNESA-N 0 1 449.599 3.887 40 0 IHABMN COc1ccc(S(=O)(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)cc1 ZINC000257319980 568720044 /nfs/dbraw/zinc/72/00/44/568720044.db2.gz VUVLWRVGRJVTRY-UHFFFAOYSA-N 0 1 439.541 3.501 40 0 IHABMN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000306138412 568770414 /nfs/dbraw/zinc/77/04/14/568770414.db2.gz RXADJCCUFLBSCN-WTIAFYNJSA-N 0 1 446.599 3.527 40 0 IHABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccccc1F)C[C@H]2c1cccnc1 ZINC000306144498 568773874 /nfs/dbraw/zinc/77/38/74/568773874.db2.gz ZGQGJEDOAQAVAC-OZXSUGGESA-N 0 1 431.511 3.618 40 0 IHABMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000009063435 569219889 /nfs/dbraw/zinc/21/98/89/569219889.db2.gz FTSACTSWQALHIA-UHFFFAOYSA-N 0 1 444.915 3.764 40 0 IHABMN O=C(CN1CCC[C@@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000012235929 569224862 /nfs/dbraw/zinc/22/48/62/569224862.db2.gz FTKXUNYPFAPCJE-DHIUTWEWSA-N 0 1 448.611 3.555 40 0 IHABMN COc1cccc(C(=O)N2CC[C@H](c3ccc4c(n[nH]c4NCc4ccccn4)n3)C2)c1 ZINC000019704765 569233576 /nfs/dbraw/zinc/23/35/76/569233576.db2.gz LZEKIWQINSDVAO-KRWDZBQOSA-N 0 1 428.496 3.603 40 0 IHABMN CCOC(=O)C1=C(C)NC(Sc2nc(C)cc(CNC)c2C#N)=N[C@H]1c1ccccc1 ZINC000033525365 569244408 /nfs/dbraw/zinc/24/44/08/569244408.db2.gz HLLNGRHEVCDFMQ-FQEVSTJZSA-N 0 1 435.553 3.611 40 0 IHABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1OC ZINC000018022511 569284139 /nfs/dbraw/zinc/28/41/39/569284139.db2.gz PXSJQVJGJHFENU-GIWBLDEGSA-N 0 1 430.460 3.755 40 0 IHABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(=O)C3CCCCC3)n(C)n2)cc1 ZINC000008635374 291370221 /nfs/dbraw/zinc/37/02/21/291370221.db2.gz GZJKCNXGVVESBH-XJUOHMSHSA-N 0 1 436.600 3.970 40 0 biogenic,in-vitro IHABMN COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccc(Cl)cc4)CCN3C(C)(C)C2)cc1 ZINC000253407551 291371135 /nfs/dbraw/zinc/37/11/35/291371135.db2.gz WPBVOIWCYBXSAI-OAQYLSRUSA-N 0 1 427.976 3.769 40 0 biogenic,in-vitro IHABMN Cn1nc(C2CCCCC2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 ZINC000012602031 291374622 /nfs/dbraw/zinc/37/46/22/291374622.db2.gz YONRWVLPDDICCZ-XJUOHMSHSA-N 0 1 436.600 3.841 40 0 biogenic,in-vitro IHABMN Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 ZINC000012602031 291374625 /nfs/dbraw/zinc/37/46/25/291374625.db2.gz YONRWVLPDDICCZ-XJUOHMSHSA-N 0 1 436.600 3.841 40 0 biogenic,in-vitro IHABMN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)c(OC)cc2OC)NC(=S)N1 ZINC000408604442 193973754 /nfs/dbraw/zinc/97/37/54/193973754.db2.gz JECCNULSJSJJGF-MRXNPFEDSA-N 0 1 443.363 3.602 40 0 IHABMN CCOc1ncc([C@@]2(O)CCC[C@@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 ZINC000012233416 521610963 /nfs/dbraw/zinc/61/09/63/521610963.db2.gz HEGQRLOIFZGHRL-CGYQNGNCSA-N 0 1 433.499 3.672 40 0 IHABMN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020481749 523041471 /nfs/dbraw/zinc/04/14/71/523041471.db2.gz PWHDZMRNYRCWEH-LJQANCHMSA-N 0 1 429.473 3.818 40 0 IHABMN O=C(NCc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1Cc1cccc(OC(F)(F)F)c1 ZINC000012530184 526736299 /nfs/dbraw/zinc/73/62/99/526736299.db2.gz DIRUBBOXLOHBLA-FQEVSTJZSA-N 0 1 430.430 3.552 40 0 biogenic,in-vitro IHABMN Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)cn2)cc1 ZINC000408531545 555733675 /nfs/dbraw/zinc/73/36/75/555733675.db2.gz MGSIKHLJQVUQBH-UHFFFAOYSA-N 0 1 436.415 3.857 40 0 IHABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000408613023 555978041 /nfs/dbraw/zinc/97/80/41/555978041.db2.gz WJAPEMPJLFZMQB-LJQANCHMSA-N 0 1 449.320 3.952 40 0 IHABMN CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1C ZINC000408625356 555996031 /nfs/dbraw/zinc/99/60/31/555996031.db2.gz SFYUAHCBLOFFJA-UHFFFAOYSA-N 0 1 426.922 3.606 40 0 IHABMN COC(=O)c1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc(C(=O)OC)c1 ZINC000013683248 556274602 /nfs/dbraw/zinc/27/46/02/556274602.db2.gz FAHIPFDYYZRWKK-UHFFFAOYSA-N 0 1 432.281 3.509 40 0 IHABMN O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039761667 556436694 /nfs/dbraw/zinc/43/66/94/556436694.db2.gz FXDSAKJXZCTPQK-UHFFFAOYSA-N 0 1 441.959 3.663 40 0 IHABMN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 ZINC000030856498 556510116 /nfs/dbraw/zinc/51/01/16/556510116.db2.gz KIEQPRNTLVZSPC-KRWDZBQOSA-N 0 1 440.525 3.609 40 0 IHABMN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030866644 556512503 /nfs/dbraw/zinc/51/25/03/556512503.db2.gz JBEBEBDVSGZXCT-CQSZACIVSA-N 0 1 431.901 3.942 40 0 IHABMN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 ZINC000019085720 556699365 /nfs/dbraw/zinc/69/93/65/556699365.db2.gz BHWPQVIZBMKNET-DEOSSOPVSA-N 0 1 440.559 3.778 40 0 IHABMN Cc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc(C(=O)[O-])c1O ZINC000257208189 556702075 /nfs/dbraw/zinc/70/20/75/556702075.db2.gz BLCALMVPXLABSQ-GBXCKJPGSA-N 0 1 426.488 3.566 40 0 IHABMN COc1ccc(CNC(=O)CN2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)cc1 ZINC000257261938 556712653 /nfs/dbraw/zinc/71/26/53/556712653.db2.gz LJJLVYJJHLWSGC-XMMPIXPASA-N 0 1 446.975 3.569 40 0 IHABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)[n-]c(=O)c2C1 ZINC000019238677 556723564 /nfs/dbraw/zinc/72/35/64/556723564.db2.gz DSKMGXOLGQEFCO-FQEVSTJZSA-N 0 1 440.613 3.942 40 0 IHABMN Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)[n-]c(=O)c2C1 ZINC000019238677 556723567 /nfs/dbraw/zinc/72/35/67/556723567.db2.gz DSKMGXOLGQEFCO-FQEVSTJZSA-N 0 1 440.613 3.942 40 0 IHABMN COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4nc(C)n5ccccc45)C[C@H]32)c1OC ZINC000019240721 556726253 /nfs/dbraw/zinc/72/62/53/556726253.db2.gz BZLDXHUVYSQYQG-WMZHIEFXSA-N 0 1 448.567 3.787 40 0 IHABMN O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](CC1CC1)CC3 ZINC000019293551 556733063 /nfs/dbraw/zinc/73/30/63/556733063.db2.gz JBGRRAQRNDDICG-JOCHJYFZSA-N 0 1 449.530 3.710 40 0 IHABMN O=C(CC1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019343633 556741286 /nfs/dbraw/zinc/74/12/86/556741286.db2.gz QRWYQWJEVAFDPW-GOSISDBHSA-N 0 1 440.613 3.676 40 0 IHABMN O=C(CCCc1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019405098 556754850 /nfs/dbraw/zinc/75/48/50/556754850.db2.gz UUOYGAFCMSGYQL-HSZRJFAPSA-N 0 1 449.599 3.542 40 0 IHABMN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019449364 556759775 /nfs/dbraw/zinc/75/97/75/556759775.db2.gz PHFYPQQEIIAUSQ-RUZDIDTESA-N 0 1 434.515 3.815 40 0 IHABMN CC(C)c1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)n[nH]1 ZINC000019451731 556762487 /nfs/dbraw/zinc/76/24/87/556762487.db2.gz SSOPJSODGWWGEG-SANMLTNESA-N 0 1 445.567 3.758 40 0 IHABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000019496075 556768775 /nfs/dbraw/zinc/76/87/75/556768775.db2.gz AIQIMYPXQFHGAE-HDICACEKSA-N 0 1 437.588 3.899 40 0 IHABMN COc1cc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)cc(OC)c1OC ZINC000019563176 556804330 /nfs/dbraw/zinc/80/43/30/556804330.db2.gz IJYWCKMLEWAKSV-UHFFFAOYSA-N 0 1 430.530 3.907 40 0 IHABMN COCCN1CC=CC[C@H](C2CCN(Cc3cnc(-c4ccc(C)cc4)nc3)CC2)C1=O ZINC000019698475 556856666 /nfs/dbraw/zinc/85/66/66/556856666.db2.gz IWOVLKFEKQHGFJ-XMMPIXPASA-N 0 1 434.584 3.715 40 0 IHABMN COc1ccc(CNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408841758 556867749 /nfs/dbraw/zinc/86/77/49/556867749.db2.gz KWEIMLHACLMRGD-UHFFFAOYSA-N 0 1 429.564 3.943 40 0 IHABMN Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)c1 ZINC000019742382 556886272 /nfs/dbraw/zinc/88/62/72/556886272.db2.gz SMSOPPZAAUWYCZ-HNNXBMFYSA-N 0 1 439.463 3.534 40 0 IHABMN CC(C)Nc1[nH]nc2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(C(F)(F)F)c21 ZINC000019745037 556891822 /nfs/dbraw/zinc/89/18/22/556891822.db2.gz WYDDTLPQVWQRCD-HNNXBMFYSA-N 0 1 425.455 3.682 40 0 IHABMN Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019752940 556896628 /nfs/dbraw/zinc/89/66/28/556896628.db2.gz SJMOVSWEDYBAOV-QFIPXVFZSA-N 0 1 428.584 3.950 40 0 IHABMN CCn1cc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c(C)n1 ZINC000072330538 556906237 /nfs/dbraw/zinc/90/62/37/556906237.db2.gz BHOGBXYPSKHJAI-CPJSRVTESA-N 0 1 447.583 3.998 40 0 IHABMN Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCCN2Cc2cccc3cccnc32)n1 ZINC000019767220 556912514 /nfs/dbraw/zinc/91/25/14/556912514.db2.gz ULQNVICYMZSTKI-QFIPXVFZSA-N 0 1 431.540 3.533 40 0 IHABMN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)no1 ZINC000072352785 556925085 /nfs/dbraw/zinc/92/50/85/556925085.db2.gz QQYGGRJEFMFLHD-GOSISDBHSA-N 0 1 425.529 3.888 40 0 IHABMN COc1cc2c(cc1CN1CCC[C@H](c3ccc(Nc4ncccn4)cn3)C1)OCCO2 ZINC000072353458 556926902 /nfs/dbraw/zinc/92/69/02/556926902.db2.gz NTEZCKUAVKCCCB-KRWDZBQOSA-N 0 1 433.512 3.775 40 0 IHABMN CCn1ccc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)n1 ZINC000072371667 556939966 /nfs/dbraw/zinc/93/99/66/556939966.db2.gz CVGRYMNWOULTOY-HNNXBMFYSA-N 0 1 447.461 3.896 40 0 IHABMN Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C ZINC000072371717 556940496 /nfs/dbraw/zinc/94/04/96/556940496.db2.gz RTUFQFNIWPFSPN-SFHVURJKSA-N 0 1 443.544 3.965 40 0 IHABMN O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371700 556940502 /nfs/dbraw/zinc/94/05/02/556940502.db2.gz XOHRWRAMLFCDDS-OAHLLOKOSA-N 0 1 445.441 3.843 40 0 IHABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc21 ZINC000072374562 556948527 /nfs/dbraw/zinc/94/85/27/556948527.db2.gz MZOMUIKTEDFVKT-OAQYLSRUSA-N 0 1 446.555 3.878 40 0 IHABMN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CN(C)Cc3ccccc3F)C2)n1 ZINC000072375067 556950548 /nfs/dbraw/zinc/95/05/48/556950548.db2.gz MHVXITDWXZAODC-HXUWFJFHSA-N 0 1 448.546 3.901 40 0 IHABMN CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CCc5ccccc5)CC4)[n-]n3c(=O)c2C1 ZINC000072389799 556959915 /nfs/dbraw/zinc/95/99/15/556959915.db2.gz OSFYTPPUEBCTOG-UHFFFAOYSA-N 0 1 447.583 3.540 40 0 IHABMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 ZINC000072393661 556964813 /nfs/dbraw/zinc/96/48/13/556964813.db2.gz LNJZWHCOKBZPLY-NSHDSACASA-N 0 1 447.446 3.615 40 0 IHABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000102729643 557131761 /nfs/dbraw/zinc/13/17/61/557131761.db2.gz MURCILWVRZTRIQ-XPWALMASSA-N 0 1 448.450 3.894 40 0 IHABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102728526 557131941 /nfs/dbraw/zinc/13/19/41/557131941.db2.gz JHOANXJVAKMHAI-XPWALMASSA-N 0 1 430.460 3.755 40 0 IHABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2C)cc1 ZINC000010112522 557205134 /nfs/dbraw/zinc/20/51/34/557205134.db2.gz OVIXGLFBSVYZCB-UHFFFAOYSA-N 0 1 443.613 3.956 40 0 IHABMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC[NH+]3CCC(C)CC3)c2)cc1 ZINC000010112531 557205171 /nfs/dbraw/zinc/20/51/71/557205171.db2.gz DSPCKVNNHMAIJS-UHFFFAOYSA-N 0 1 429.586 3.648 40 0 IHABMN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1C ZINC000010112521 557205207 /nfs/dbraw/zinc/20/52/07/557205207.db2.gz XOGRHNWTJNVYJE-UHFFFAOYSA-N 0 1 443.613 3.956 40 0 IHABMN Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](Oc4cccc(Cl)c4)C3)cc2)n1 ZINC000585268700 557207683 /nfs/dbraw/zinc/20/76/83/557207683.db2.gz DVZWBTUEABCFMN-ZEQRLZLVSA-N 0 1 441.959 3.856 40 0 IHABMN O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4Cc4ccc(F)cc4)[n-]n3c(=O)c2C1 ZINC000100233893 557251333 /nfs/dbraw/zinc/25/13/33/557251333.db2.gz KHZYQIXIAWPFJD-JOCHJYFZSA-N 0 1 449.530 3.596 40 0 IHABMN CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000100233862 557251502 /nfs/dbraw/zinc/25/15/02/557251502.db2.gz CFGPKZKMOBMRRV-HXUWFJFHSA-N 0 1 439.585 3.764 40 0 IHABMN CC(C)[N@H+]1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4cccc(F)c4)[n-]n3c2=O)C1 ZINC000100234053 557252101 /nfs/dbraw/zinc/25/21/01/557252101.db2.gz VPCVHVHXQFCGIY-OAQYLSRUSA-N 0 1 437.519 3.708 40 0 IHABMN CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4Cc4ccc(Cl)cc4)[n-]n3c(=O)c2C1 ZINC000100242912 557254565 /nfs/dbraw/zinc/25/45/65/557254565.db2.gz MQPLERUAJKMUAY-OAQYLSRUSA-N 0 1 439.947 3.720 40 0 IHABMN CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccc(Cl)cc4)[n-]n3c(=O)c2C1 ZINC000100242912 557254570 /nfs/dbraw/zinc/25/45/70/557254570.db2.gz MQPLERUAJKMUAY-OAQYLSRUSA-N 0 1 439.947 3.720 40 0 IHABMN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O ZINC000409009126 557277681 /nfs/dbraw/zinc/27/76/81/557277681.db2.gz BPBXCHNTJHMZFW-AUEGDVLESA-N 0 1 434.695 3.796 40 0 IHABMN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101112610 557330666 /nfs/dbraw/zinc/33/06/66/557330666.db2.gz UIBYGIRRCNPPCR-VABKMULXSA-N 0 1 430.460 3.842 40 0 IHABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(C)c(C)c3)s2)cc1 ZINC000224041470 557550209 /nfs/dbraw/zinc/55/02/09/557550209.db2.gz OPKIEWURBXMIHN-HNNXBMFYSA-N 0 1 430.555 3.755 40 0 IHABMN COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2C)cc1 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COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4F)CC3)n2)c1 ZINC000219424686 557244543 /nfs/dbraw/zinc/24/45/43/557244543.db2.gz UIQOIPQMNZXKCY-UHFFFAOYSA-N 0 1 438.503 3.755 40 0 IHABMN CCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000100233972 557252036 /nfs/dbraw/zinc/25/20/36/557252036.db2.gz ACAIVDVRZXRNHL-LJQANCHMSA-N 0 1 425.558 3.518 40 0 IHABMN CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4sccc4C)[n-]n3c(=O)c2C1 ZINC000100233982 557252042 /nfs/dbraw/zinc/25/20/42/557252042.db2.gz OQFWLPVLTIQOCD-IBGZPJMESA-N 0 1 439.585 3.827 40 0 IHABMN CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4C4CCCCC4)[n-]n3c(=O)c2C1 ZINC000100243167 557255377 /nfs/dbraw/zinc/25/53/77/557255377.db2.gz HBKMSTSPHMNOFG-NRFANRHFSA-N 0 1 425.577 3.835 40 0 IHABMN CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3[nH]nc4c3CCCC4)CC2)nc2ccccc21 ZINC000100658055 557268162 /nfs/dbraw/zinc/26/81/62/557268162.db2.gz JZYOPOKJYVUJKR-CALCHBBNSA-N 0 1 445.567 3.900 40 0 IHABMN COc1cccc(OC)c1C[NH2+][C@H](c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1)C(C)C ZINC000100730059 557272549 /nfs/dbraw/zinc/27/25/49/557272549.db2.gz KVVNFUYAAZRURW-DEOSSOPVSA-N 0 1 440.544 3.833 40 0 IHABMN CC(=O)Nc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101221426 557279627 /nfs/dbraw/zinc/27/96/27/557279627.db2.gz IYRVNKAGCDPRBN-VJBWXMMDSA-N 0 1 445.450 3.835 40 0 IHABMN O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1)c1ccc(Cl)cc1 ZINC000222911417 557401789 /nfs/dbraw/zinc/40/17/89/557401789.db2.gz MWVGSEMPLLCFPL-UHFFFAOYSA-N 0 1 430.845 3.523 40 0 IHABMN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000223973158 557536946 /nfs/dbraw/zinc/53/69/46/557536946.db2.gz JIOSZKUYELCSPJ-UHFFFAOYSA-N 0 1 428.304 3.744 40 0 IHABMN CCn1c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2sc1=O ZINC000225125745 557690165 /nfs/dbraw/zinc/69/01/65/557690165.db2.gz VAGVUSJFVYYQIF-UHFFFAOYSA-N 0 1 443.344 3.655 40 0 IHABMN Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c(C)c1 ZINC000061997568 557829933 /nfs/dbraw/zinc/82/99/33/557829933.db2.gz SVKLPRDZURGQKV-SIWUVWLXSA-N 0 1 438.612 3.710 40 0 IHABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)Nc3cccc(F)c3)n2)cc1 ZINC000015675989 560094832 /nfs/dbraw/zinc/09/48/32/560094832.db2.gz QWXVHCNHMGTCCZ-IBGZPJMESA-N 0 1 434.431 3.939 40 0 biogenic,in-vitro IHABMN O=C(Nc1ccccc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707366 560096743 /nfs/dbraw/zinc/09/67/43/560096743.db2.gz XSWSUYMGKSPNRT-KRWDZBQOSA-N 0 1 430.424 3.520 40 0 biogenic,in-vitro IHABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000257208133 568668870 /nfs/dbraw/zinc/66/88/70/568668870.db2.gz BKWZWPNRNKLGQZ-CALCHBBNSA-N 0 1 426.536 3.901 40 0 IHABMN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](CC(=O)Nc4ccccc4C(=O)[O-])[C@H]3C[C@H]21 ZINC000257212987 568671390 /nfs/dbraw/zinc/67/13/90/568671390.db2.gz CFRZWKGOPJEDRF-DYJCROTPSA-N 0 1 436.508 3.715 40 0 IHABMN 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CN(CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1)Cc1ccccn1 ZINC000257272116 568698605 /nfs/dbraw/zinc/69/86/05/568698605.db2.gz NBCYGUXJGWSXOQ-DEOSSOPVSA-N 0 1 433.531 3.787 40 0 IHABMN Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCCN(Cc3ccc[nH]3)C2)ccc1Cl ZINC000257295647 568709207 /nfs/dbraw/zinc/70/92/07/568709207.db2.gz QZHARVXVKCOANN-XMMPIXPASA-N 0 1 445.991 3.887 40 0 IHABMN C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257321382 568720569 /nfs/dbraw/zinc/72/05/69/568720569.db2.gz WBKWNHLBKDAPSU-CZYKHXBRSA-N 0 1 448.510 3.871 40 0 IHABMN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257321382 568720570 /nfs/dbraw/zinc/72/05/70/568720570.db2.gz WBKWNHLBKDAPSU-CZYKHXBRSA-N 0 1 448.510 3.871 40 0 IHABMN O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257337278 568727561 /nfs/dbraw/zinc/72/75/61/568727561.db2.gz YSCYGFMVFZWJPG-OAQYLSRUSA-N 0 1 430.487 3.757 40 0 IHABMN O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257337278 568727564 /nfs/dbraw/zinc/72/75/64/568727564.db2.gz YSCYGFMVFZWJPG-OAQYLSRUSA-N 0 1 430.487 3.757 40 0 IHABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccccc1F)C[C@@H]2c1cccnc1 ZINC000306144496 568773837 /nfs/dbraw/zinc/77/38/37/568773837.db2.gz ZGQGJEDOAQAVAC-BVAGGSTKSA-N 0 1 431.511 3.618 40 0 IHABMN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1C ZINC000010112036 569221296 /nfs/dbraw/zinc/22/12/96/569221296.db2.gz WEMOGQNMUWUIEG-UHFFFAOYSA-N 0 1 429.586 3.710 40 0 IHABMN O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704962 569233817 /nfs/dbraw/zinc/23/38/17/569233817.db2.gz VOYLHUADKJGCRB-QGZVFWFLSA-N 0 1 430.487 3.663 40 0 IHABMN Cc1nc(CC(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NCCc4ccccc4)n3)C2)cs1 ZINC000019705136 569234025 /nfs/dbraw/zinc/23/40/25/569234025.db2.gz UHEYUJJMUAYIDW-GOSISDBHSA-N 0 1 446.580 3.936 40 0 IHABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)c(Br)o1 ZINC000033766160 569246544 /nfs/dbraw/zinc/24/65/44/569246544.db2.gz UMRINKSDIWYCBM-RUDMXATFSA-N 0 1 444.035 3.900 40 0 IHABMN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018182987 569286272 /nfs/dbraw/zinc/28/62/72/569286272.db2.gz QVKLBFGOEMTFQC-VABKMULXSA-N 0 1 430.460 3.760 40 0 IHABMN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNCc4ccccc4OC)O3)no2)cc1 ZINC000077263345 291370235 /nfs/dbraw/zinc/37/02/35/291370235.db2.gz FTZUYAYPHPBXMD-WRALFONMSA-N 0 1 438.524 3.600 40 0 biogenic,in-vitro IHABMN CCN(CC)c1ncc(CN2CCC[C@@H](c3ccc(C(=O)N4CCCC4)cn3)C2)s1 ZINC000072345754 520931084 /nfs/dbraw/zinc/93/10/84/520931084.db2.gz VQPJYCWUNSBLGO-LJQANCHMSA-N 0 1 427.618 4.000 40 0 IHABMN COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2)c1 ZINC000035425124 521749065 /nfs/dbraw/zinc/74/90/65/521749065.db2.gz PYEVDQYMMGKYRO-QFIPXVFZSA-N 0 1 433.512 3.986 40 0 biogenic,in-vitro IHABMN COC(=O)c1cc(CN2CCCCC2)cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001622052 555706416 /nfs/dbraw/zinc/70/64/16/555706416.db2.gz VMLUNUIPQPKYEH-UHFFFAOYSA-N 0 1 443.496 3.704 40 0 IHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c(OC)c1 ZINC000408564578 555918041 /nfs/dbraw/zinc/91/80/41/555918041.db2.gz XFWUARRBMLHYBL-UHFFFAOYSA-N 0 1 430.457 3.896 40 0 IHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)n1 ZINC000030855532 556510107 /nfs/dbraw/zinc/51/01/07/556510107.db2.gz SFIPBVTZTUCDCQ-INIZCTEOSA-N 0 1 442.566 3.846 40 0 IHABMN COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1 ZINC000015437553 556527937 /nfs/dbraw/zinc/52/79/37/556527937.db2.gz CISAIAAIZJELNS-UHFFFAOYSA-N 0 1 442.493 3.766 40 0 IHABMN COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000016310470 556599338 /nfs/dbraw/zinc/59/93/38/556599338.db2.gz KKBJNLSCEMVYGV-UHFFFAOYSA-N 0 1 446.550 3.914 40 0 IHABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000044901364 556678033 /nfs/dbraw/zinc/67/80/33/556678033.db2.gz SEDJZHPCEVAEKT-UHFFFAOYSA-N 0 1 441.461 3.853 40 0 IHABMN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125713 556703237 /nfs/dbraw/zinc/70/32/37/556703237.db2.gz MHVWYIMKKQNNBI-PMACEKPBSA-N 0 1 445.943 3.804 40 0 IHABMN O=C([C@@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292134 556731779 /nfs/dbraw/zinc/73/17/79/556731779.db2.gz VETCGORXKSHULB-FQEVSTJZSA-N 0 1 449.599 3.632 40 0 IHABMN O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 ZINC000019368848 556746882 /nfs/dbraw/zinc/74/68/82/556746882.db2.gz GARDFIQZMWPFMG-OAQYLSRUSA-N 0 1 434.565 3.757 40 0 IHABMN O=C(CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](c2ccccc2)C1 ZINC000019369945 556747471 /nfs/dbraw/zinc/74/74/71/556747471.db2.gz PUBIPHYXRHOIBJ-PKTZIBPZSA-N 0 1 448.611 3.555 40 0 IHABMN CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)n[nH]1 ZINC000019447413 556756705 /nfs/dbraw/zinc/75/67/05/556756705.db2.gz FDRPVWGBOBDZTK-FQEVSTJZSA-N 0 1 448.542 3.845 40 0 IHABMN 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COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2C(=O)OC(C)C)n1 ZINC000010475533 569224320 /nfs/dbraw/zinc/22/43/20/569224320.db2.gz VATZBXWDAFCZRH-UHFFFAOYSA-N 0 1 426.498 3.776 40 0 IHABMN COc1cccc(OC)c1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019567043 569227081 /nfs/dbraw/zinc/22/70/81/569227081.db2.gz DIMAJWSELOWJCI-KBMIEXCESA-N 0 1 446.551 3.877 40 0 IHABMN CNC(=O)c1[nH]c(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc1-c1ccc(OC)cc1 ZINC000019697010 569229940 /nfs/dbraw/zinc/22/99/40/569229940.db2.gz QQMAPUHDRQIZAY-UHFFFAOYSA-N 0 1 448.571 3.738 40 0 IHABMN O=C1N(CCc2ccccc2)CC=CCC12CCN(Cc1ccnc(N3CCCC3)n1)CC2 ZINC000019742677 569236613 /nfs/dbraw/zinc/23/66/13/569236613.db2.gz OJKWLHLMFYSFTR-UHFFFAOYSA-N 0 1 445.611 3.690 40 0 IHABMN Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 ZINC000015672634 291374123 /nfs/dbraw/zinc/37/41/23/291374123.db2.gz HJRIRUJJIUJJEE-NNWRFLSQSA-N 0 1 435.616 3.858 40 0 biogenic,in-vitro IHABMN 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Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020489732 527373272 /nfs/dbraw/zinc/37/32/72/527373272.db2.gz VLCQKYQRGQNSFN-UHFFFAOYSA-N 0 1 446.532 3.912 40 0 IHABMN O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000001915508 555724778 /nfs/dbraw/zinc/72/47/78/555724778.db2.gz ZFZPJDFBJFHYIV-UHFFFAOYSA-N 0 1 440.613 3.908 40 0 in-man IHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000408601734 555970272 /nfs/dbraw/zinc/97/02/72/555970272.db2.gz GVYCFNZKYDDUHP-AWEZNQCLSA-N 0 1 440.949 3.689 40 0 IHABMN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000408639460 556016306 /nfs/dbraw/zinc/01/63/06/556016306.db2.gz XFXRWYZTNZAMSI-UHFFFAOYSA-N 0 1 432.889 3.651 40 0 IHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000408693440 556099295 /nfs/dbraw/zinc/09/92/95/556099295.db2.gz UNSQUTGKISSGJZ-UHFFFAOYSA-N 0 1 438.933 3.784 40 0 IHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000408706371 556112811 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BXPASGIBSLOURW-VJBWXMMDSA-N 0 1 430.460 3.755 40 0 IHABMN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101050468 556652748 /nfs/dbraw/zinc/65/27/48/556652748.db2.gz BXPASGIBSLOURW-VJBWXMMDSA-N 0 1 430.460 3.755 40 0 IHABMN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000044900106 556677015 /nfs/dbraw/zinc/67/70/15/556677015.db2.gz KKVFBPPRGXZJRO-LJQANCHMSA-N 0 1 440.525 3.690 40 0 IHABMN CCC(CC)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019500096 556772175 /nfs/dbraw/zinc/77/21/75/556772175.db2.gz GPHVABVUNPPSSG-IBGZPJMESA-N 0 1 438.572 3.501 40 0 IHABMN COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2scnc2C)c1 ZINC000019562347 556803831 /nfs/dbraw/zinc/80/38/31/556803831.db2.gz VGYIHYRZPJPXGO-LEWJYISDSA-N 0 1 437.565 3.867 40 0 IHABMN CN(C(=O)c1cn[nH]c1C1CCN(C(=O)COc2cccc(F)c2)CC1)c1ccccc1 ZINC000019586762 556823143 /nfs/dbraw/zinc/82/31/43/556823143.db2.gz MHIPPGYBLLVCME-UHFFFAOYSA-N 0 1 436.487 3.610 40 0 IHABMN Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)c1 ZINC000019742380 556886287 /nfs/dbraw/zinc/88/62/87/556886287.db2.gz SMSOPPZAAUWYCZ-OAHLLOKOSA-N 0 1 439.463 3.534 40 0 IHABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408917353 556888922 /nfs/dbraw/zinc/88/89/22/556888922.db2.gz RRKJKJOTMVMRJG-VGOFMYFVSA-N 0 1 437.677 3.870 40 0 IHABMN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccnn1C ZINC000072370610 556935802 /nfs/dbraw/zinc/93/58/02/556935802.db2.gz QKGFLLQZWVQISB-KRWDZBQOSA-N 0 1 426.586 3.608 40 0 IHABMN Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371443 556938696 /nfs/dbraw/zinc/93/86/96/556938696.db2.gz NBHZXWKDUSXREW-AWEZNQCLSA-N 0 1 433.434 3.711 40 0 IHABMN O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371506 556939432 /nfs/dbraw/zinc/93/94/32/556939432.db2.gz ZKKUHHDSLPUJRC-AWEZNQCLSA-N 0 1 425.920 3.526 40 0 IHABMN O=C(CN1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)Nc1nccs1 ZINC000072378319 556956989 /nfs/dbraw/zinc/95/69/89/556956989.db2.gz VYVYQYNSBJTXTP-SFHVURJKSA-N 0 1 431.949 3.917 40 0 IHABMN COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cc1 ZINC000072380185 556957868 /nfs/dbraw/zinc/95/78/68/556957868.db2.gz GZPBANQNSHHALC-INIZCTEOSA-N 0 1 433.434 3.864 40 0 IHABMN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020037661 556970795 /nfs/dbraw/zinc/97/07/95/556970795.db2.gz ZCFGEISPLCMNMZ-INIZCTEOSA-N 0 1 440.525 3.807 40 0 IHABMN CC[C@@H](C)N1CN(c2ccccc2)C2(CCN(C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000073335083 556976869 /nfs/dbraw/zinc/97/68/69/556976869.db2.gz DTTVXMWPIYNNBR-IFMALSPDSA-N 0 1 435.568 3.766 40 0 IHABMN COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000020109053 556984446 /nfs/dbraw/zinc/98/44/46/556984446.db2.gz RMKMCJKLOUEXST-UHFFFAOYSA-N 0 1 443.550 3.763 40 0 IHABMN CC(C)N1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107055 557041758 /nfs/dbraw/zinc/04/17/58/557041758.db2.gz PETUOFDHCQCNHT-AREMUKBSSA-N 0 1 429.568 3.730 40 0 IHABMN Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 ZINC000585110139 557042959 /nfs/dbraw/zinc/04/29/59/557042959.db2.gz NMBWSBITNVBAJJ-YADHBBJMSA-N 0 1 444.535 3.715 40 0 IHABMN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000002178063 557128596 /nfs/dbraw/zinc/12/85/96/557128596.db2.gz WMBORGFPEMDKDX-UHFFFAOYSA-N 0 1 426.586 3.744 40 0 IHABMN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102710683 557133229 /nfs/dbraw/zinc/13/32/29/557133229.db2.gz QVKLBFGOEMTFQC-RJGXRXQPSA-N 0 1 430.460 3.760 40 0 IHABMN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000219413614 557243612 /nfs/dbraw/zinc/24/36/12/557243612.db2.gz ISPWCEABPNWMGE-UHFFFAOYSA-N 0 1 440.931 3.927 40 0 IHABMN CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccs1)CC3 ZINC000100233805 557251141 /nfs/dbraw/zinc/25/11/41/557251141.db2.gz ABSDMNGMVCYSNS-HXUWFJFHSA-N 0 1 439.585 3.764 40 0 IHABMN O=C(Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1)c1ccccc1Cl ZINC000223789378 557513629 /nfs/dbraw/zinc/51/36/29/557513629.db2.gz RJWMRMCFFQHJTR-UHFFFAOYSA-N 0 1 426.951 3.613 40 0 IHABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000224973462 557673215 /nfs/dbraw/zinc/67/32/15/557673215.db2.gz RPXSAVAUUAXZAR-UHFFFAOYSA-N 0 1 430.555 3.591 40 0 IHABMN CC(C)(CC(=O)[O-])CC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675858 560095718 /nfs/dbraw/zinc/09/57/18/560095718.db2.gz CRPMGQLAEIMTPJ-INIZCTEOSA-N 0 1 443.891 3.630 40 0 biogenic,in-vitro IHABMN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)c1 ZINC000585274646 568618734 /nfs/dbraw/zinc/61/87/34/568618734.db2.gz XXERSDXAHFYAEE-QHCPKHFHSA-N 0 1 434.939 3.700 40 0 IHABMN COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC000257199683 568664771 /nfs/dbraw/zinc/66/47/71/568664771.db2.gz AALWIMLPGJOXIU-HSZRJFAPSA-N 0 1 446.551 3.734 40 0 IHABMN Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)CN(C)Cc3ccccc3F)CC2)n1 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ZINC000019704700 569233638 /nfs/dbraw/zinc/23/36/38/569233638.db2.gz HERLTZKTQBRNRE-SFHVURJKSA-N 0 1 442.523 3.912 40 0 IHABMN COc1cccc(CC(=O)N2CC[C@H](c3ccc4c(n[nH]c4NCc4ccccn4)n3)C2)c1 ZINC000019704941 569233778 /nfs/dbraw/zinc/23/37/78/569233778.db2.gz WMQNYCAWJRJUMU-SFHVURJKSA-N 0 1 442.523 3.532 40 0 IHABMN Cc1oc2c(c1C(=O)N1CC[C@@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C1)CCCC2 ZINC000019705148 569234005 /nfs/dbraw/zinc/23/40/05/569234005.db2.gz ARDQTWFQEMZOCN-MRXNPFEDSA-N 0 1 449.555 3.959 40 0 IHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000033656535 569245488 /nfs/dbraw/zinc/24/54/88/569245488.db2.gz WQNIHYFWUQNISZ-UHFFFAOYSA-N 0 1 426.630 3.858 40 0 IHABMN COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(Cc3ccccc3)Cc3ccccc3)O2)no1 ZINC000077262387 291368776 /nfs/dbraw/zinc/36/87/76/291368776.db2.gz JGXSYUMMSYLKFP-AYRHNUGRSA-N 0 1 436.552 3.974 40 0 biogenic,in-vitro IHABMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cc1 ZINC000096111773 291376252 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/nfs/dbraw/zinc/51/66/43/556516643.db2.gz QQNUXTQVWXMPHE-MRXNPFEDSA-N 0 1 446.931 3.995 40 0 IHABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2C)cc1 ZINC000013669173 556549857 /nfs/dbraw/zinc/54/98/57/556549857.db2.gz GGDZTULUXXUQSG-UHFFFAOYSA-N 0 1 443.613 3.956 40 0 IHABMN COc1ccc(OC)c([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000101081719 556653988 /nfs/dbraw/zinc/65/39/88/556653988.db2.gz VQCOQBCTHBUVPH-VABKMULXSA-N 0 1 448.450 3.894 40 0 IHABMN COc1cc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000044917577 556682010 /nfs/dbraw/zinc/68/20/10/556682010.db2.gz IYEDODZVKHDSGR-UHFFFAOYSA-N 0 1 432.948 3.894 40 0 IHABMN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)cc1 ZINC000019135207 556705700 /nfs/dbraw/zinc/70/57/00/556705700.db2.gz AIPFSPLTDSUUJE-LJQANCHMSA-N 0 1 448.592 3.718 40 0 IHABMN O=C(CCNc1ncnc2ccccc21)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257283542 556715228 /nfs/dbraw/zinc/71/52/28/556715228.db2.gz OYUBMQUQVCINMM-FQEVSTJZSA-N 0 1 445.502 3.644 40 0 IHABMN O=C(CCNc1ncnc2ccccc21)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257283542 556715230 /nfs/dbraw/zinc/71/52/30/556715230.db2.gz OYUBMQUQVCINMM-FQEVSTJZSA-N 0 1 445.502 3.644 40 0 IHABMN COc1ccccc1-c1ccc(C[C@@]2(C(=O)NC(C)C)CCN(C(=O)c3ccn[nH]3)C2)cc1 ZINC000019449344 556759820 /nfs/dbraw/zinc/75/98/20/556759820.db2.gz PWAWGOBDSUSJHG-SANMLTNESA-N 0 1 446.551 3.685 40 0 IHABMN CC(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449987 556760688 /nfs/dbraw/zinc/76/06/88/556760688.db2.gz FBEJJNANAKUKOW-QZTJIDSGSA-N 0 1 445.970 3.610 40 0 IHABMN CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 ZINC000019450281 556761309 /nfs/dbraw/zinc/76/13/09/556761309.db2.gz HCCHFHMENAOLKD-UHFFFAOYSA-N 0 1 431.544 3.979 40 0 IHABMN CC(C)c1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)n[nH]1 ZINC000019451721 556762524 /nfs/dbraw/zinc/76/25/24/556762524.db2.gz YORBQPZDWIRLHR-RUZDIDTESA-N 0 1 434.515 3.900 40 0 IHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000019503031 556774404 /nfs/dbraw/zinc/77/44/04/556774404.db2.gz IZDXCJXHJQXULK-HXUWFJFHSA-N 0 1 434.515 3.769 40 0 IHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000019503033 556774441 /nfs/dbraw/zinc/77/44/41/556774441.db2.gz IZDXCJXHJQXULK-FQEVSTJZSA-N 0 1 434.515 3.769 40 0 IHABMN CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019528976 556790026 /nfs/dbraw/zinc/79/00/26/556790026.db2.gz CTCUCUQCOHLCCX-AREMUKBSSA-N 0 1 445.567 3.806 40 0 IHABMN COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cc2c1OCO2 ZINC000019549959 556795022 /nfs/dbraw/zinc/79/50/22/556795022.db2.gz JDCQTJIYCAMNMA-OAHLLOKOSA-N 0 1 425.510 3.615 40 0 IHABMN COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cc2c1OCO2 ZINC000019549959 556795023 /nfs/dbraw/zinc/79/50/23/556795023.db2.gz JDCQTJIYCAMNMA-OAHLLOKOSA-N 0 1 425.510 3.615 40 0 IHABMN Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380634 556796864 /nfs/dbraw/zinc/79/68/64/556796864.db2.gz LEKQUQYOQXTGSU-UHFFFAOYSA-N 0 1 431.462 3.712 40 0 IHABMN COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)[nH]c(=O)c3C2)cc1 ZINC000019555505 556798245 /nfs/dbraw/zinc/79/82/45/556798245.db2.gz BNQWYXJCFUPZJG-WMZHIEFXSA-N 0 1 448.567 3.769 40 0 IHABMN CN(C(=O)CN1CCC[C@@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1)C1CCCCC1 ZINC000019688609 556843393 /nfs/dbraw/zinc/84/33/93/556843393.db2.gz VYTRHSCTXXWSJE-JOCHJYFZSA-N 0 1 434.584 3.818 40 0 IHABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cc(C3CCCCC3)no1)C2 ZINC000019708801 556870137 /nfs/dbraw/zinc/87/01/37/556870137.db2.gz HUMMKJCAHVEHAW-KRWDZBQOSA-N 0 1 438.576 3.562 40 0 IHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000408910816 556887994 /nfs/dbraw/zinc/88/79/94/556887994.db2.gz LJZFQPVCZVJNTM-UHFFFAOYSA-N 0 1 426.494 3.686 40 0 IHABMN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)n1 ZINC000072374930 556949473 /nfs/dbraw/zinc/94/94/73/556949473.db2.gz AETDKDUESCBIPM-QGZVFWFLSA-N 0 1 441.532 3.939 40 0 IHABMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccccn3)cc(C)n2)C1 ZINC000072375028 556950097 /nfs/dbraw/zinc/95/00/97/556950097.db2.gz OGVJVQPPHUYUEF-KRWDZBQOSA-N 0 1 427.530 3.702 40 0 IHABMN Cc1ccc(CS(=O)(=O)N2CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C2)cc1 ZINC000072375018 556950179 /nfs/dbraw/zinc/95/01/79/556950179.db2.gz QTYVGHDRFYHJEI-HXUWFJFHSA-N 0 1 437.569 3.941 40 0 IHABMN O=C(CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)Nc1ccccn1 ZINC000072378333 556957039 /nfs/dbraw/zinc/95/70/39/556957039.db2.gz KURIKTFSFMFJRQ-HXUWFJFHSA-N 0 1 425.920 3.855 40 0 IHABMN CCCN1CCN(Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183598 557139194 /nfs/dbraw/zinc/13/91/94/557139194.db2.gz JTTODPUDCRHUNM-OAQYLSRUSA-N 0 1 432.568 3.998 40 0 IHABMN CCN1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183609 557139262 /nfs/dbraw/zinc/13/92/62/557139262.db2.gz MZWYLZZPZYOPCW-DEOSSOPVSA-N 0 1 443.547 3.970 40 0 IHABMN Cc1cnc(Nc2cc(C)nc(CC3CCN(Cc4cnc(N(C)C)nc4)CC3)n2)s1 ZINC000585263479 557203750 /nfs/dbraw/zinc/20/37/50/557203750.db2.gz MMKVYSLHRXYATP-UHFFFAOYSA-N 0 1 438.605 3.604 40 0 IHABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)cc1C ZINC000010112487 557205113 /nfs/dbraw/zinc/20/51/13/557205113.db2.gz HSNFSGQUUHTZFY-UHFFFAOYSA-N 0 1 429.586 3.628 40 0 IHABMN CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccs1)CC3 ZINC000100233813 557251100 /nfs/dbraw/zinc/25/11/00/557251100.db2.gz CCALBUSVVTWLNO-IBGZPJMESA-N 0 1 425.558 3.518 40 0 IHABMN CC(C)[N@H+]1CCc2c(nc3cc([C@H]4CCCCN4C(=O)Cc4ccsc4)[n-]n3c2=O)C1 ZINC000100234096 557252340 /nfs/dbraw/zinc/25/23/40/557252340.db2.gz VQVJNGCHBZLKIP-HXUWFJFHSA-N 0 1 439.585 3.559 40 0 IHABMN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585732 557355803 /nfs/dbraw/zinc/35/58/03/557355803.db2.gz HTPUCRWGVJKPNK-UHFFFAOYSA-N 0 1 431.322 3.833 40 0 IHABMN O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223953985 557533894 /nfs/dbraw/zinc/53/38/94/557533894.db2.gz FUIYACBKVANISJ-UHFFFAOYSA-N 0 1 430.913 3.950 40 0 IHABMN CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000225121023 557689567 /nfs/dbraw/zinc/68/95/67/557689567.db2.gz CWORIIDGCNHYDD-GFCCVEGCSA-N 0 1 430.983 3.939 40 0 IHABMN O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2cccc(F)c2)N1 ZINC000257205263 568667643 /nfs/dbraw/zinc/66/76/43/568667643.db2.gz AYGTTXDAWIBFPB-WIOPSUGQSA-N 0 1 437.563 3.634 40 0 IHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](CC(=O)NCc4ccc5c(c4)CCCO5)C3)c2c1 ZINC000257209119 568669334 /nfs/dbraw/zinc/66/93/34/568669334.db2.gz BPDBNWUMYNPYPA-IBGZPJMESA-N 0 1 446.551 3.755 40 0 IHABMN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccccc4OCC(=O)[O-])[C@@H]3C[C@H]21 ZINC000257244771 568686180 /nfs/dbraw/zinc/68/61/80/568686180.db2.gz IMROCMINRZZZOO-PGCKSFNISA-N 0 1 439.508 3.747 40 0 IHABMN CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CN3CCCC3)CC2)nc2ccccc21 ZINC000257247231 568687332 /nfs/dbraw/zinc/68/73/32/568687332.db2.gz IYBTXPMPHQXEBQ-MXVIHJGJSA-N 0 1 436.600 3.859 40 0 IHABMN CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c(C)n1 ZINC000257272191 568698565 /nfs/dbraw/zinc/69/85/65/568698565.db2.gz NBJRBFUFOFJKGZ-QFIPXVFZSA-N 0 1 429.952 3.783 40 0 IHABMN Cc1nc([C@H]2CCCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257274794 568699692 /nfs/dbraw/zinc/69/96/92/568699692.db2.gz NMRLYZYYQMVEKO-FQEVSTJZSA-N 0 1 442.991 3.528 40 0 IHABMN Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCCN(Cc3ccc[nH]3)C2)ccc1Cl ZINC000257295646 568709261 /nfs/dbraw/zinc/70/92/61/568709261.db2.gz QZHARVXVKCOANN-DEOSSOPVSA-N 0 1 445.991 3.887 40 0 IHABMN CCCN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000257301399 568711875 /nfs/dbraw/zinc/71/18/75/568711875.db2.gz RYHNBDCJDDPQSM-HSZRJFAPSA-N 0 1 430.552 3.938 40 0 IHABMN CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cnc[nH]4)CC3)CO[C@H]21 ZINC000257313617 568717149 /nfs/dbraw/zinc/71/71/49/568717149.db2.gz UTJGTGUXGXFUML-FXAWDEMLSA-N 0 1 425.529 3.980 40 0 IHABMN CC(=O)N(c1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccnc(N3CCCCC3)n1)CC2 ZINC000257326322 568722692 /nfs/dbraw/zinc/72/26/92/568722692.db2.gz WWTVTVWQBRCVHX-XMMPIXPASA-N 0 1 449.599 3.644 40 0 IHABMN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5cccc(F)c5)[nH]n4)C3)c2c1 ZINC000257330046 568724513 /nfs/dbraw/zinc/72/45/13/568724513.db2.gz XMOCJZGQVCULDG-QFIPXVFZSA-N 0 1 449.486 3.569 40 0 IHABMN COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccc(C)s5)CCN4C)nnn3c2)cn1 ZINC000306125004 568763817 /nfs/dbraw/zinc/76/38/17/568763817.db2.gz CEHBTMQCUBMMKP-NRFANRHFSA-N 0 1 434.569 3.659 40 0 IHABMN Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(N(C)C)cc2)n1 ZINC000015672574 568803232 /nfs/dbraw/zinc/80/32/32/568803232.db2.gz RLEVFZZMNKICOV-NNWRFLSQSA-N 0 1 445.567 3.719 40 0 biogenic,in-vitro IHABMN Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CCc1ccccc1)C2 ZINC000019701269 569231311 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CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000044900105 556677033 /nfs/dbraw/zinc/67/70/33/556677033.db2.gz KKVFBPPRGXZJRO-IBGZPJMESA-N 0 1 440.525 3.690 40 0 IHABMN CCOc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000017746346 556679220 /nfs/dbraw/zinc/67/92/20/556679220.db2.gz QBRWSSZSUDHTHM-VABKMULXSA-N 0 1 448.450 3.981 40 0 IHABMN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125702 556703263 /nfs/dbraw/zinc/70/32/63/556703263.db2.gz MHVWYIMKKQNNBI-WOJBJXKFSA-N 0 1 445.943 3.804 40 0 IHABMN COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000019237550 556722747 /nfs/dbraw/zinc/72/27/47/556722747.db2.gz WYWPOPFFKUAXBD-BWKNWUBXSA-N 0 1 445.567 3.563 40 0 IHABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019238676 556723527 /nfs/dbraw/zinc/72/35/27/556723527.db2.gz PMNWPCUMKYGKHY-FXAWDEMLSA-N 0 1 438.597 3.718 40 0 IHABMN Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019238676 556723531 /nfs/dbraw/zinc/72/35/31/556723531.db2.gz PMNWPCUMKYGKHY-FXAWDEMLSA-N 0 1 438.597 3.718 40 0 IHABMN O=C(Cc1ccccc1)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019370177 556747292 /nfs/dbraw/zinc/74/72/92/556747292.db2.gz SSGDKJVJZIYGNU-HSZRJFAPSA-N 0 1 445.567 3.642 40 0 IHABMN CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)n[nH]1 ZINC000019451863 556762669 /nfs/dbraw/zinc/76/26/69/556762669.db2.gz QRKJQIKIGBYBPI-IBGZPJMESA-N 0 1 434.515 3.770 40 0 IHABMN CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)on1 ZINC000019452920 556763631 /nfs/dbraw/zinc/76/36/31/556763631.db2.gz PYWHGGVUZHVBMK-HXUWFJFHSA-N 0 1 439.560 3.962 40 0 IHABMN CC1CCC([N@@H+]2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000019495951 556768353 /nfs/dbraw/zinc/76/83/53/556768353.db2.gz CKGXVPGKFLYRSA-RJYAGPCLSA-N 0 1 426.586 3.746 40 0 IHABMN CC1CCC([N@H+]2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000019495951 556768356 /nfs/dbraw/zinc/76/83/56/556768356.db2.gz CKGXVPGKFLYRSA-RJYAGPCLSA-N 0 1 426.586 3.746 40 0 IHABMN CCC(CC)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019500095 556772186 /nfs/dbraw/zinc/77/21/86/556772186.db2.gz GPHVABVUNPPSSG-LJQANCHMSA-N 0 1 438.572 3.501 40 0 IHABMN CCCc1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)Cc3ccccc3)CC2)no1 ZINC000019525284 556782617 /nfs/dbraw/zinc/78/26/17/556782617.db2.gz UXAGOGCTHPYABV-UHFFFAOYSA-N 0 1 435.528 3.642 40 0 IHABMN COc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1 ZINC000019564516 556805432 /nfs/dbraw/zinc/80/54/32/556805432.db2.gz VQPBJFAZJMYIQG-JOCHJYFZSA-N 0 1 436.556 3.859 40 0 IHABMN COc1ccccc1CNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000408837469 556866902 /nfs/dbraw/zinc/86/69/02/556866902.db2.gz GFBQUPDQOJEPGU-UHFFFAOYSA-N 0 1 429.564 3.943 40 0 IHABMN COc1ccc(CCNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408863298 556872669 /nfs/dbraw/zinc/87/26/69/556872669.db2.gz LRHCYWLFIWXULU-UHFFFAOYSA-N 0 1 443.591 3.986 40 0 IHABMN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)C1 ZINC000019742160 556885968 /nfs/dbraw/zinc/88/59/68/556885968.db2.gz UYRVLGNHWVHMOB-LLVKDONJSA-N 0 1 436.438 3.999 40 0 IHABMN CC1CCN(C(=O)CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)CC1 ZINC000019744106 556889709 /nfs/dbraw/zinc/88/97/09/556889709.db2.gz WXJVZFIWRBJKEP-RUZDIDTESA-N 0 1 439.644 3.828 40 0 IHABMN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072346134 556917500 /nfs/dbraw/zinc/91/75/00/556917500.db2.gz GAFHMKPUELJFRQ-MRXNPFEDSA-N 0 1 433.478 3.546 40 0 IHABMN CCCN1CCN(C(=O)c2cc(C(C)C)[nH]n2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351750 556922077 /nfs/dbraw/zinc/92/20/77/556922077.db2.gz SGPOWUIJZBMRIU-DEOSSOPVSA-N 0 1 445.567 3.901 40 0 IHABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n[nH]1 ZINC000072371446 556938554 /nfs/dbraw/zinc/93/85/54/556938554.db2.gz 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O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccccc1 ZINC000585110125 557042909 /nfs/dbraw/zinc/04/29/09/557042909.db2.gz MQWFYDPIZKOVQD-PKTZIBPZSA-N 0 1 426.520 3.505 40 0 IHABMN O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21)c1ccccc1 ZINC000585110126 557043174 /nfs/dbraw/zinc/04/31/74/557043174.db2.gz MQWFYDPIZKOVQD-XZOQPEGZSA-N 0 1 426.520 3.505 40 0 IHABMN COc1cc(Cl)ccc1C(=O)N1CCc2[nH]nc(-c3cccc4c3CN(C)C4)c2CC1 ZINC000585110320 557043404 /nfs/dbraw/zinc/04/34/04/557043404.db2.gz FHONKVLHFDDFTM-UHFFFAOYSA-N 0 1 436.943 3.925 40 0 IHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000021595575 557154991 /nfs/dbraw/zinc/15/49/91/557154991.db2.gz WUMOCNMIJINWJV-UHFFFAOYSA-N 0 1 445.947 3.513 40 0 IHABMN CC(C)OC(=O)CN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O ZINC000106753726 557160762 /nfs/dbraw/zinc/16/07/62/557160762.db2.gz QZVUHSNGYGFOAY-WCIBSUBMSA-N 0 1 434.695 3.796 40 0 IHABMN CC(C)c1ccc(CN2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 ZINC000096242515 557186608 /nfs/dbraw/zinc/18/66/08/557186608.db2.gz LTDMIJMZUREJOQ-UHFFFAOYSA-N 0 1 441.641 3.966 40 0 IHABMN COc1ccc(CN(C)[C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000585262263 557201574 /nfs/dbraw/zinc/20/15/74/557201574.db2.gz GJKGWVRJDFYFNC-LUKWVAJMSA-N 0 1 442.556 3.601 40 0 IHABMN COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)n2)cc1 ZINC000219412130 557243629 /nfs/dbraw/zinc/24/36/29/557243629.db2.gz SLLYQSXLWPIZPJ-UHFFFAOYSA-N 0 1 440.931 3.927 40 0 IHABMN CCCC(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4cccs4)[n-]n3c(=O)c2C1 ZINC000100233841 557251373 /nfs/dbraw/zinc/25/13/73/557251373.db2.gz SPIAVWGZNULENC-HXUWFJFHSA-N 0 1 439.585 3.908 40 0 IHABMN CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4Cc4ccsc4)[n-]n3c(=O)c2C1 ZINC000100233872 557251536 /nfs/dbraw/zinc/25/15/36/557251536.db2.gz CULVNRZOWNJMPW-HXUWFJFHSA-N 0 1 439.585 3.764 40 0 IHABMN CCC[C@@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022928831 557276776 /nfs/dbraw/zinc/27/67/76/557276776.db2.gz FYQYIVTVEOUKIP-QHCPKHFHSA-N 0 1 434.588 3.568 40 0 IHABMN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585734 557355843 /nfs/dbraw/zinc/35/58/43/557355843.db2.gz UPRHRWDNBKXLQZ-UHFFFAOYSA-N 0 1 431.322 3.833 40 0 IHABMN O=S(=O)(NCCSc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1Cl ZINC000222991187 557413085 /nfs/dbraw/zinc/41/30/85/557413085.db2.gz MFQDKXLWBHMCRV-UHFFFAOYSA-N 0 1 429.354 3.849 40 0 IHABMN COc1ccc(-c2cc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)n[nH]2)c(OC)c1 ZINC000223810598 557516190 /nfs/dbraw/zinc/51/61/90/557516190.db2.gz JFQYWHSRPKQUIV-UHFFFAOYSA-N 0 1 445.523 3.996 40 0 IHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c(OC)c1 ZINC000224532655 557617353 /nfs/dbraw/zinc/61/73/53/557617353.db2.gz ZBJPQDLRVCRUMJ-UHFFFAOYSA-N 0 1 426.494 3.686 40 0 IHABMN O=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707357 560096773 /nfs/dbraw/zinc/09/67/73/560096773.db2.gz QXBHPZVTYMOCRM-KRWDZBQOSA-N 0 1 448.414 3.659 40 0 biogenic,in-vitro IHABMN Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)c1 ZINC000585274640 568618391 /nfs/dbraw/zinc/61/83/91/568618391.db2.gz XXERSDXAHFYAEE-HSZRJFAPSA-N 0 1 434.939 3.700 40 0 IHABMN Cc1ccc(F)c(S(=O)(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)c1 ZINC000257203435 568666825 /nfs/dbraw/zinc/66/68/25/568666825.db2.gz AQAQUJWVHGKVRY-UHFFFAOYSA-N 0 1 441.532 3.939 40 0 IHABMN CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1 ZINC000257225608 568676665 /nfs/dbraw/zinc/67/66/65/568676665.db2.gz FGZKKFMPFFXFIT-SFHVURJKSA-N 0 1 438.981 3.589 40 0 IHABMN O=C(c1nc2ccc(F)cc2[nH]1)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccc(F)cc1 ZINC000257260937 568693462 /nfs/dbraw/zinc/69/34/62/568693462.db2.gz LFDPLPFRBWYZKM-JOCHJYFZSA-N 0 1 446.457 3.691 40 0 IHABMN CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)CC1 ZINC000257260678 568693464 /nfs/dbraw/zinc/69/34/64/568693464.db2.gz LDWKAFSDPWVFRS-OAQYLSRUSA-N 0 1 426.536 3.782 40 0 IHABMN CCCN1CCN(C(=O)c2cc(C(C)C)[nH]n2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257286455 568705040 /nfs/dbraw/zinc/70/50/40/568705040.db2.gz PLQQBKAWCJFBRO-XMMPIXPASA-N 0 1 445.567 3.901 40 0 IHABMN Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CCc4nc(C)no4)C3)c2)n1 ZINC000257297565 568710301 /nfs/dbraw/zinc/71/03/01/568710301.db2.gz RHVHOSSIXNHKKB-MRXNPFEDSA-N 0 1 426.546 3.929 40 0 IHABMN Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1 ZINC000257299155 568710829 /nfs/dbraw/zinc/71/08/29/568710829.db2.gz ROYLROVQKQWFQG-FQEVSTJZSA-N 0 1 438.572 3.828 40 0 IHABMN CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@@H+]4C[C@H](C)c4ccccc4)[n-]n3c(=O)c2C1 ZINC000247923307 569206508 /nfs/dbraw/zinc/20/65/08/569206508.db2.gz HSVQOCLFQBBCCN-SBUREZEXSA-N 0 1 433.556 3.670 40 0 IHABMN Cc1ncc(CN2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000019702021 569231650 /nfs/dbraw/zinc/23/16/50/569231650.db2.gz JJSQDLURCRHIIA-HNNXBMFYSA-N 0 1 428.583 3.523 40 0 IHABMN CCOCc1ccc(C(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)cc1 ZINC000019705076 569233842 /nfs/dbraw/zinc/23/38/42/569233842.db2.gz QYVHFUVXFDVBRP-LJQANCHMSA-N 0 1 449.555 3.715 40 0 IHABMN C#CCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000034746451 569247461 /nfs/dbraw/zinc/24/74/61/569247461.db2.gz WNCBSQHUXRHXSP-NTEUORMPSA-N 0 1 429.226 3.556 40 0 IHABMN COc1cc(C)ccc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(C(N)=O)cc1 ZINC000019689776 569326421 /nfs/dbraw/zinc/32/64/21/569326421.db2.gz JQQHBIQYOYZUNJ-JOCHJYFZSA-N 0 1 445.567 3.963 40 0 IHABMN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635851 291371419 /nfs/dbraw/zinc/37/14/19/291371419.db2.gz VHURDPOJLIYMTI-HQRMLTQVSA-N 0 1 435.528 3.688 40 0 biogenic,in-vitro IHABMN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000012602109 523710094 /nfs/dbraw/zinc/71/00/94/523710094.db2.gz XNQKIMQOJHGNIR-WPYKKVEZSA-N 0 1 448.542 3.843 40 0 biogenic,in-vitro IHABMN Cc1ccc([C@H](C)CCN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000012143404 525875910 /nfs/dbraw/zinc/87/59/10/525875910.db2.gz VHJGYNMETPVMRE-HXOBKFHXSA-N 0 1 426.536 3.858 40 0 IHABMN CCCN1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn42)CCCC3)CC1 ZINC000013562839 534929596 /nfs/dbraw/zinc/92/95/96/534929596.db2.gz ZMIDAICZJWUOGA-UHFFFAOYSA-N 0 1 435.572 3.824 40 0 IHABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC ZINC000408585879 555936668 /nfs/dbraw/zinc/93/66/68/555936668.db2.gz KIRRAWVPTLQQDS-UHFFFAOYSA-N 0 1 444.893 3.735 40 0 IHABMN CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408602719 555971786 /nfs/dbraw/zinc/97/17/86/555971786.db2.gz IVPKVIGAEKKMEI-MRXNPFEDSA-N 0 1 426.494 3.793 40 0 IHABMN O=C([O-])CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000408613021 555978076 /nfs/dbraw/zinc/97/80/76/555978076.db2.gz WJAPEMPJLFZMQB-IBGZPJMESA-N 0 1 449.320 3.952 40 0 IHABMN COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCCC1 ZINC000408693433 556099314 /nfs/dbraw/zinc/09/93/14/556099314.db2.gz UJBKZXKRLKYRRP-UHFFFAOYSA-N 0 1 428.432 3.751 40 0 IHABMN Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)c1 ZINC000013648563 556544766 /nfs/dbraw/zinc/54/47/66/556544766.db2.gz OLGXZTYHTXNSOI-UHFFFAOYSA-N 0 1 429.586 3.628 40 0 IHABMN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016025014 556576557 /nfs/dbraw/zinc/57/65/57/556576557.db2.gz NIXBPAKKCLHGCO-UHFFFAOYSA-N 0 1 434.477 3.692 40 0 IHABMN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101029690 556644393 /nfs/dbraw/zinc/64/43/93/556644393.db2.gz VZAFSPQRRKUHIT-VABKMULXSA-N 0 1 430.460 3.760 40 0 IHABMN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1Cl ZINC000044947921 556683870 /nfs/dbraw/zinc/68/38/70/556683870.db2.gz LCWLTPIJKUCTCT-UHFFFAOYSA-N 0 1 431.901 3.862 40 0 IHABMN O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257301609 556717409 /nfs/dbraw/zinc/71/74/09/556717409.db2.gz RZCVWPCWRLLDLH-QFIPXVFZSA-N 0 1 443.906 3.966 40 0 IHABMN Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)c1 ZINC000019234716 556719127 /nfs/dbraw/zinc/71/91/27/556719127.db2.gz UVZBTUDRDKYTNH-SXKUEDQZSA-N 0 1 448.611 3.921 40 0 IHABMN Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)c1 ZINC000019234716 556719128 /nfs/dbraw/zinc/71/91/28/556719128.db2.gz UVZBTUDRDKYTNH-SXKUEDQZSA-N 0 1 448.611 3.921 40 0 IHABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)NC(c1ccccc1)c1ccccc1 ZINC000019369545 556747161 /nfs/dbraw/zinc/74/71/61/556747161.db2.gz LZYLUHSIYKOJKG-UHFFFAOYSA-N 0 1 425.536 3.974 40 0 IHABMN O=C(CCOc1cccc(F)c1)Nc1nnc(CCN2CCc3ccccc3C2)s1 ZINC000019375387 556751323 /nfs/dbraw/zinc/75/13/23/556751323.db2.gz KAWIZZHGJRJOKU-UHFFFAOYSA-N 0 1 426.517 3.686 40 0 IHABMN C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 ZINC000019459018 556766176 /nfs/dbraw/zinc/76/61/76/556766176.db2.gz DSVBFHRNFXXDHL-UYAOXDASSA-N 0 1 434.584 3.580 40 0 IHABMN COC(=O)c1cccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000001358904 556785944 /nfs/dbraw/zinc/78/59/44/556785944.db2.gz JBIQPYGNFSRXFP-UHFFFAOYSA-N 0 1 426.904 3.821 40 0 IHABMN COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000019566617 556807131 /nfs/dbraw/zinc/80/71/31/556807131.db2.gz LAMQFFSTGVJMRI-UHFFFAOYSA-N 0 1 442.523 3.653 40 0 IHABMN COCCN1CC=CC[C@@H](C2CCN(Cc3cnc(-c4ccc(C)cc4)nc3)CC2)C1=O ZINC000019698474 556856753 /nfs/dbraw/zinc/85/67/53/556856753.db2.gz IWOVLKFEKQHGFJ-DEOSSOPVSA-N 0 1 434.584 3.715 40 0 IHABMN CCCN1C(=O)CCc2c(C)nc(C3CCN(Cc4ccc(OC)c(OC)c4)CC3)nc21 ZINC000019739332 556877435 /nfs/dbraw/zinc/87/74/35/556877435.db2.gz IBXIYDWUQKSLHB-UHFFFAOYSA-N 0 1 438.572 3.871 40 0 IHABMN Cc1ncc(CN2CCC(c3nc(C)c4c(n3)N(Cc3ccccn3)C(=O)CC4)CC2)s1 ZINC000019739368 556877726 /nfs/dbraw/zinc/87/77/26/556877726.db2.gz ILJIQNXUIYTXHA-UHFFFAOYSA-N 0 1 448.596 3.804 40 0 IHABMN O=C(CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000019748602 556892919 /nfs/dbraw/zinc/89/29/19/556892919.db2.gz LPPAXZHUOYHLQV-UHFFFAOYSA-N 0 1 446.473 3.794 40 0 IHABMN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344810 556915512 /nfs/dbraw/zinc/91/55/12/556915512.db2.gz HWFMVDYFMTXQMP-HXUWFJFHSA-N 0 1 449.555 3.626 40 0 IHABMN CC(C)C(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccnc3N(C)C)CC2)o1 ZINC000072344933 556916103 /nfs/dbraw/zinc/91/61/03/556916103.db2.gz VBHWZOLFZBNCFX-HXUWFJFHSA-N 0 1 440.592 3.620 40 0 IHABMN Cc1nn(C)cc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371483 556939235 /nfs/dbraw/zinc/93/92/35/556939235.db2.gz FBBSWGSYNBBUPS-HNNXBMFYSA-N 0 1 447.461 3.722 40 0 IHABMN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020107154 556983280 /nfs/dbraw/zinc/98/32/80/556983280.db2.gz QVFVKGCYTNSMHW-OAHLLOKOSA-N 0 1 428.539 3.538 40 0 IHABMN O=C([C@H]1CNCCO1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263260 557204017 /nfs/dbraw/zinc/20/40/17/557204017.db2.gz SPJNNKBUINXOBE-HXUWFJFHSA-N 0 1 449.580 3.643 40 0 IHABMN COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)n2)c1 ZINC000219410421 557243182 /nfs/dbraw/zinc/24/31/82/557243182.db2.gz DITGBSSFENHMKV-UHFFFAOYSA-N 0 1 440.931 3.927 40 0 IHABMN CO[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)CC1 ZINC000100156609 557244952 /nfs/dbraw/zinc/24/49/52/557244952.db2.gz GRRGZOLTNQQQNX-CXGRPWHSSA-N 0 1 428.552 3.512 40 0 IHABMN Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CCN(C(=O)C(C)C)C3 ZINC000100234378 557252966 /nfs/dbraw/zinc/25/29/66/557252966.db2.gz RAOGFWALZSBRDK-LJQANCHMSA-N 0 1 439.585 3.683 40 0 IHABMN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(I)c1O ZINC000057610856 557254901 /nfs/dbraw/zinc/25/49/01/557254901.db2.gz ZVHLAQDSOHMHIG-CGOBSMCZSA-N 0 1 437.159 3.865 40 0 IHABMN CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4C[C@H](C)c4ccccc4)[n-]n3c(=O)c2C1 ZINC000100243120 557255435 /nfs/dbraw/zinc/25/54/35/557255435.db2.gz HSVQOCLFQBBCCN-GAJHUEQPSA-N 0 1 433.556 3.670 40 0 IHABMN CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4C[C@@H](C)c4ccccc4)[n-]n3c(=O)c2C1 ZINC000100243121 557255458 /nfs/dbraw/zinc/25/54/58/557255458.db2.gz HSVQOCLFQBBCCN-UZUQRXQVSA-N 0 1 433.556 3.670 40 0 IHABMN COc1cccc(OC)c1C[NH2+][C@@H](c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1)C(C)C ZINC000100730061 557272588 /nfs/dbraw/zinc/27/25/88/557272588.db2.gz KVVNFUYAAZRURW-XMMPIXPASA-N 0 1 440.544 3.833 40 0 IHABMN CCC[C@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022928828 557276518 /nfs/dbraw/zinc/27/65/18/557276518.db2.gz FYQYIVTVEOUKIP-HSZRJFAPSA-N 0 1 434.588 3.568 40 0 IHABMN CC[C@@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063994 557279215 /nfs/dbraw/zinc/27/92/15/557279215.db2.gz FWPDNVJHAUCTQT-QFIPXVFZSA-N 0 1 438.576 3.755 40 0 IHABMN Cc1cc(O)c(-c2ccnc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)c(=O)o1 ZINC000102338271 557301154 /nfs/dbraw/zinc/30/11/54/557301154.db2.gz LHWZQSSLWBDDKW-UHFFFAOYSA-N 0 1 430.342 3.715 40 0 IHABMN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4c(Cl)cccc4Cl)C[C@@H]32)c(OC)n1 ZINC000019594813 557506387 /nfs/dbraw/zinc/50/63/87/557506387.db2.gz AOOHBQGNRSBNOQ-UYTHQXMGSA-N 0 1 438.355 3.920 40 0 IHABMN COc1cc(CN2CCC(NC(=S)Nc3ccccc3C)CC2)cc(OC)c1OC ZINC000225229037 557702846 /nfs/dbraw/zinc/70/28/46/557702846.db2.gz WTFKGIBAXYILGJ-UHFFFAOYSA-N 0 1 429.586 3.972 40 0 IHABMN Cc1cnn(CCCOc2ccc(CN3C[C@H](O)[C@@H](Oc4ccc(C)c(C)c4)C3)cc2)c1 ZINC000585270618 568617289 /nfs/dbraw/zinc/61/72/89/568617289.db2.gz AGGVVFBJTIDWTL-UIOOFZCWSA-N 0 1 435.568 3.902 40 0 IHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](CC(=O)NCc4ccc5c(c4)CCCO5)C3)c2c1 ZINC000257209120 568669349 /nfs/dbraw/zinc/66/93/49/568669349.db2.gz BPDBNWUMYNPYPA-LJQANCHMSA-N 0 1 446.551 3.755 40 0 IHABMN Cc1cc(C[N@H+]2CC[C@@H]3O[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C[C@H]32)cc(C(=O)[O-])c1O ZINC000257212242 568670742 /nfs/dbraw/zinc/67/07/42/568670742.db2.gz CCMNHASYUANSKR-GXKRZCMTSA-N 0 1 439.508 3.996 40 0 IHABMN Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)n1 ZINC000257231488 568679768 /nfs/dbraw/zinc/67/97/68/568679768.db2.gz GGXVNBCOOVZVBJ-FQEVSTJZSA-N 0 1 449.555 3.896 40 0 IHABMN Cc1ccc(CC(=O)N2CCO[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C ZINC000257235734 568681861 /nfs/dbraw/zinc/68/18/61/568681861.db2.gz GZDNFKYLWWKIMD-DEOSSOPVSA-N 0 1 437.515 3.930 40 0 IHABMN COc1c(C)cccc1C(=O)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000257244890 568686194 /nfs/dbraw/zinc/68/61/94/568686194.db2.gz INFOXRKDOUGSKK-QGZVFWFLSA-N 0 1 442.523 3.912 40 0 IHABMN c1cc2c(C[C@@H]3COCCN(Cc4ccccc4OCc4ccccn4)C3)nccn2c1 ZINC000257280701 568702513 /nfs/dbraw/zinc/70/25/13/568702513.db2.gz OLZIWYPLMYCPFU-NRFANRHFSA-N 0 1 428.536 3.999 40 0 IHABMN C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)Nc3ccnn3C3CCCC3)[C@H]1CCCC(=O)N2 ZINC000257291312 568707204 /nfs/dbraw/zinc/70/72/04/568707204.db2.gz QGLPIMXYJPOXSS-UFPGJGBJSA-N 0 1 449.599 3.681 40 0 IHABMN CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCCC[C@H]2c2[nH]ncc2C)CC1 ZINC000257297812 568710288 /nfs/dbraw/zinc/71/02/88/568710288.db2.gz RIWUPDPIHKFJPN-NRFANRHFSA-N 0 1 426.536 3.782 40 0 IHABMN Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257304107 568712955 /nfs/dbraw/zinc/71/29/55/568712955.db2.gz SKCWAAYDMMOEAN-GOSISDBHSA-N 0 1 432.933 3.663 40 0 IHABMN CC(=O)NCCn1nc([C@H]2CCC[N@H+](Cc3cccc(OC(C)C)c3)C2)c2cccnc21 ZINC000257317675 568719135 /nfs/dbraw/zinc/71/91/35/568719135.db2.gz VKSPBWNOZLGDLX-NRFANRHFSA-N 0 1 435.572 3.734 40 0 IHABMN COc1cc2c(cc1CN1CCC[C@@H](c3cccc(Nc4cnccn4)n3)C1)OCCO2 ZINC000257337615 568727613 /nfs/dbraw/zinc/72/76/13/568727613.db2.gz YTOLMGHXJNSZJN-QGZVFWFLSA-N 0 1 433.512 3.775 40 0 IHABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000100123846 568841520 /nfs/dbraw/zinc/84/15/20/568841520.db2.gz KJVGAKSWUZWNON-VABKMULXSA-N 0 1 430.460 3.755 40 0 IHABMN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063443 569219997 /nfs/dbraw/zinc/21/99/97/569219997.db2.gz AFAJABONHPKSRY-UHFFFAOYSA-N 0 1 443.975 3.957 40 0 IHABMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2)cc1 ZINC000010111289 569221156 /nfs/dbraw/zinc/22/11/56/569221156.db2.gz 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/nfs/dbraw/zinc/09/46/40/560094640.db2.gz HEQPEDGUVQYQFU-IBGZPJMESA-N 0 1 434.431 3.939 40 0 biogenic,in-vitro IHABMN Cc1ccc(CC(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C ZINC000257235735 568681981 /nfs/dbraw/zinc/68/19/81/568681981.db2.gz GZDNFKYLWWKIMD-XMMPIXPASA-N 0 1 437.515 3.930 40 0 IHABMN Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c(C)c1 ZINC000224276568 568917201 /nfs/dbraw/zinc/91/72/01/568917201.db2.gz QYOVBPREOJBSSP-UHFFFAOYSA-N 0 1 437.569 3.529 40 0 IHABMN Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000224303541 568917631 /nfs/dbraw/zinc/91/76/31/568917631.db2.gz ZKOCACVKVPBTRD-UHFFFAOYSA-N 0 1 440.525 3.523 40 0 IHABMN Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccnc(N3CCCC3)n2)c1 ZINC000019713349 569235660 /nfs/dbraw/zinc/23/56/60/569235660.db2.gz CCVIAXKXSPQXGU-RPWUZVMVSA-N 0 1 433.600 3.931 40 0 IHABMN COc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000038182501 569248806 /nfs/dbraw/zinc/24/88/06/569248806.db2.gz HXBDJZYZAADCKC-UHFFFAOYSA-N 0 1 435.303 3.679 40 0 IHABMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)cc1 ZINC000049155299 291376255 /nfs/dbraw/zinc/37/62/55/291376255.db2.gz CNJAUVGJRJFNFK-FQEVSTJZSA-N 0 1 428.452 3.624 40 0 biogenic,in-vitro IHABMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)cc1 ZINC000049155299 291376256 /nfs/dbraw/zinc/37/62/56/291376256.db2.gz CNJAUVGJRJFNFK-FQEVSTJZSA-N 0 1 428.452 3.624 40 0 biogenic,in-vitro IHABMN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020456838 523038028 /nfs/dbraw/zinc/03/80/28/523038028.db2.gz ZFBSRQQCNWIXLJ-LJQANCHMSA-N 0 1 440.525 3.690 40 0 IHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)c(OC)c1 ZINC000022524489 524693068 /nfs/dbraw/zinc/69/30/68/524693068.db2.gz FFYJBRYHBMNGPO-UHFFFAOYSA-N 0 1 440.521 3.994 40 0 IHABMN Cc1ccc([C@H](C)CCN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000012143402 525876713 /nfs/dbraw/zinc/87/67/13/525876713.db2.gz VHJGYNMETPVMRE-UZUQRXQVSA-N 0 1 426.536 3.858 40 0 IHABMN CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)c1 ZINC000408567387 555910648 /nfs/dbraw/zinc/91/06/48/555910648.db2.gz DKYBHKFJQSFGLM-KRWDZBQOSA-N 0 1 425.529 3.655 40 0 IHABMN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C ZINC000408619737 555988555 /nfs/dbraw/zinc/98/85/55/555988555.db2.gz ITKVBOLGTGVFDI-UHFFFAOYSA-N 0 1 440.521 3.964 40 0 IHABMN Cc1c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000039752982 556438689 /nfs/dbraw/zinc/43/86/89/556438689.db2.gz NALGRDPXDWCSPL-UHFFFAOYSA-N 0 1 438.959 3.989 40 0 IHABMN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000039755359 556439092 /nfs/dbraw/zinc/43/90/92/556439092.db2.gz UYLAGBMFQPCBNL-HXUWFJFHSA-N 0 1 439.531 3.585 40 0 IHABMN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030756637 556504953 /nfs/dbraw/zinc/50/49/53/556504953.db2.gz WOHLOSKBPHDMRQ-MRXNPFEDSA-N 0 1 425.510 3.851 40 0 IHABMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000030852373 556509333 /nfs/dbraw/zinc/50/93/33/556509333.db2.gz FEWIMBOIIFEKMA-KRWDZBQOSA-N 0 1 446.916 3.727 40 0 IHABMN O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016024801 556576233 /nfs/dbraw/zinc/57/62/33/556576233.db2.gz FYJBYONUPVITRI-UHFFFAOYSA-N 0 1 434.930 3.662 40 0 IHABMN COc1ccc2nc(SCC(=O)Nc3nc(C)c4c(n3)CC(C)(C)CC4=O)[nH]c2c1 ZINC000016266307 556595639 /nfs/dbraw/zinc/59/56/39/556595639.db2.gz QOSJDYNQADDWNF-UHFFFAOYSA-N 0 1 425.514 3.556 40 0 IHABMN COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101025965 556644289 /nfs/dbraw/zinc/64/42/89/556644289.db2.gz UELMKLYKBHWQJF-VJBWXMMDSA-N 0 1 430.460 3.760 40 0 IHABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(OC)c1 ZINC000013513339 556667250 /nfs/dbraw/zinc/66/72/50/556667250.db2.gz MURCILWVRZTRIQ-VABKMULXSA-N 0 1 448.450 3.894 40 0 IHABMN CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000019017798 556692490 /nfs/dbraw/zinc/69/24/90/556692490.db2.gz BFYFUCIXTTYJIJ-HSZRJFAPSA-N 0 1 447.501 3.860 40 0 IHABMN O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257314626 556703891 /nfs/dbraw/zinc/70/38/91/556703891.db2.gz UXSYPOYDHHMRKX-OAQYLSRUSA-N 0 1 430.487 3.757 40 0 IHABMN O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257314626 556703893 /nfs/dbraw/zinc/70/38/93/556703893.db2.gz UXSYPOYDHHMRKX-OAQYLSRUSA-N 0 1 430.487 3.757 40 0 IHABMN Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C(C)C)CC4)cc1 ZINC000019135374 556705821 /nfs/dbraw/zinc/70/58/21/556705821.db2.gz QGHHUVGOJBTJFH-QFIPXVFZSA-N 0 1 433.556 3.877 40 0 IHABMN COCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000019237552 556722857 /nfs/dbraw/zinc/72/28/57/556722857.db2.gz WYWPOPFFKUAXBD-OFVILXPXSA-N 0 1 445.567 3.563 40 0 IHABMN O=C([C@@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019292140 556732011 /nfs/dbraw/zinc/73/20/11/556732011.db2.gz DDNVJNOCWXHDLT-LJQANCHMSA-N 0 1 449.599 3.798 40 0 IHABMN O=C(C1CCCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019343616 556741470 /nfs/dbraw/zinc/74/14/70/556741470.db2.gz BNPPJQJOSRLTJN-GOSISDBHSA-N 0 1 440.613 3.676 40 0 IHABMN O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019370788 556748054 /nfs/dbraw/zinc/74/80/54/556748054.db2.gz QUQCDIVNUVBTEX-HSZRJFAPSA-N 0 1 434.584 3.757 40 0 IHABMN CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)n[nH]1 ZINC000019447415 556756664 /nfs/dbraw/zinc/75/66/64/556756664.db2.gz FDRPVWGBOBDZTK-HXUWFJFHSA-N 0 1 448.542 3.845 40 0 IHABMN CN(C)c1ncccc1C[NH2+][C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019584158 556821633 /nfs/dbraw/zinc/82/16/33/556821633.db2.gz OYTFJFMYDWWZPW-QFIPXVFZSA-N 0 1 426.524 3.779 40 0 IHABMN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000019694001 556848917 /nfs/dbraw/zinc/84/89/17/556848917.db2.gz JFNWOFGTPYAHOY-GOSISDBHSA-N 0 1 427.980 3.665 40 0 IHABMN Cc1nnc2n1C[C@@H](c1cccc(C(=O)N3CCN(CCCc4ccccc4)CC3)c1)CC2 ZINC000019698196 556856196 /nfs/dbraw/zinc/85/61/96/556856196.db2.gz AAYCACHHINDFNM-VWLOTQADSA-N 0 1 443.595 3.707 40 0 IHABMN COc1cccc(OC)c1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019757030 556901064 /nfs/dbraw/zinc/90/10/64/556901064.db2.gz ZATFEJDLKKZLTP-UHFFFAOYSA-N 0 1 438.572 3.621 40 0 IHABMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)ncc1C(=O)NCc1ccccc1 ZINC000019764340 556908774 /nfs/dbraw/zinc/90/87/74/556908774.db2.gz UEMFBAIYSRVVLI-QFIPXVFZSA-N 0 1 446.555 3.929 40 0 IHABMN COc1cc(CN2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)ccc1OCC(N)=O ZINC000072353182 556925752 /nfs/dbraw/zinc/92/57/52/556925752.db2.gz MUEXRPOAEGWNRG-NRFANRHFSA-N 0 1 447.539 3.738 40 0 IHABMN O=C(CN1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1)Nc1nccs1 ZINC000072371254 556937750 /nfs/dbraw/zinc/93/77/50/556937750.db2.gz IAWJJBFVDIVFOR-AWEZNQCLSA-N 0 1 431.949 3.569 40 0 IHABMN O=C(Cn1cnc2ccccc21)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371453 556938508 /nfs/dbraw/zinc/93/85/08/556938508.db2.gz NGICGFROZVRSAS-KRWDZBQOSA-N 0 1 433.487 3.536 40 0 IHABMN CCn1ccc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)n1 ZINC000072371668 556940172 /nfs/dbraw/zinc/94/01/72/556940172.db2.gz CVGRYMNWOULTOY-OAHLLOKOSA-N 0 1 447.461 3.896 40 0 IHABMN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C ZINC000072371718 556940468 /nfs/dbraw/zinc/94/04/68/556940468.db2.gz RTUFQFNIWPFSPN-GOSISDBHSA-N 0 1 443.544 3.965 40 0 IHABMN Cc1ccc2c(cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)C[N@H+](C(C)C)CC4)n2C)c1 ZINC000072399052 556971400 /nfs/dbraw/zinc/97/14/00/556971400.db2.gz NDFQXKWYNZYGCC-JOCHJYFZSA-N 0 1 447.583 3.704 40 0 IHABMN Cc1ccc2c(cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[n-]3)C[N@@H+](C(C)C)CC4)n2C)c1 ZINC000072399052 556971403 /nfs/dbraw/zinc/97/14/03/556971403.db2.gz NDFQXKWYNZYGCC-JOCHJYFZSA-N 0 1 447.583 3.704 40 0 IHABMN CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3c(F)cc(F)cc3F)CC4)c2C1 ZINC000585110330 557043337 /nfs/dbraw/zinc/04/33/37/557043337.db2.gz GRJPMTSBIFVVKB-UHFFFAOYSA-N 0 1 440.469 3.609 40 0 IHABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000102712687 557133091 /nfs/dbraw/zinc/13/30/91/557133091.db2.gz KGEQGIAXPBGPBH-BHIFYINESA-N 0 1 434.423 3.591 40 0 IHABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1OC ZINC000102713211 557133218 /nfs/dbraw/zinc/13/32/18/557133218.db2.gz PXSJQVJGJHFENU-FUPPJEDESA-N 0 1 430.460 3.755 40 0 IHABMN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 ZINC000096156645 557181336 /nfs/dbraw/zinc/18/13/36/557181336.db2.gz RXADJCCUFLBSCN-PTUXOGIPSA-N 0 1 446.599 3.527 40 0 IHABMN CCC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4Cc4cccc(F)c4)[n-]n3c(=O)c2C1 ZINC000100233946 557251491 /nfs/dbraw/zinc/25/14/91/557251491.db2.gz FXABUTCFLRHAMB-NRFANRHFSA-N 0 1 437.519 3.596 40 0 IHABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102862039 557458347 /nfs/dbraw/zinc/45/83/47/557458347.db2.gz KJVGAKSWUZWNON-RJGXRXQPSA-N 0 1 430.460 3.755 40 0 IHABMN CN1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)CC1 ZINC000223983976 557539230 /nfs/dbraw/zinc/53/92/30/557539230.db2.gz LKPMZOVWOQNEIT-UHFFFAOYSA-N 0 1 427.593 3.771 40 0 IHABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(I)cc1)CCCC2 ZINC000224059094 557552941 /nfs/dbraw/zinc/55/29/41/557552941.db2.gz GIAQMJOTECWFHE-UHFFFAOYSA-N 0 1 443.306 3.979 40 0 IHABMN COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000224548595 557620975 /nfs/dbraw/zinc/62/09/75/557620975.db2.gz WPUFLSBQPNSUQK-UHFFFAOYSA-N 0 1 446.550 3.746 40 0 IHABMN COc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015675993 560094681 /nfs/dbraw/zinc/09/46/81/560094681.db2.gz XXQHGCQXQJSSQR-FQEVSTJZSA-N 0 1 446.467 3.808 40 0 biogenic,in-vitro IHABMN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262268 568616440 /nfs/dbraw/zinc/61/64/40/568616440.db2.gz JTFRAFZUYGJAQU-CZYKHXBRSA-N 0 1 430.520 3.732 40 0 IHABMN 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COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC(C)C)ccc1O ZINC000008022548 569218947 /nfs/dbraw/zinc/21/89/47/569218947.db2.gz NRCIMEYKTHFDFA-OAQYLSRUSA-N 0 1 425.481 3.794 40 0 IHABMN Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CCc1ccccc1)C2 ZINC000019701268 569231383 /nfs/dbraw/zinc/23/13/83/569231383.db2.gz LHQSENHJJMFPDB-HSZRJFAPSA-N 0 1 445.542 3.541 40 0 IHABMN Cc1ncc(CN2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)s1 ZINC000019766574 569239470 /nfs/dbraw/zinc/23/94/70/569239470.db2.gz PGLYRBLQNDFHIP-UHFFFAOYSA-N 0 1 439.560 3.999 40 0 IHABMN O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009487748 569296758 /nfs/dbraw/zinc/29/67/58/569296758.db2.gz XCJDYDWRJGYROE-YRXWBPOGSA-N 0 1 447.293 3.968 40 0 IHABMN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635449 291365291 /nfs/dbraw/zinc/36/52/91/291365291.db2.gz MXNKGBWAKUHJDX-SXLOBPIMSA-N 0 1 429.609 3.524 40 0 biogenic,in-vitro IHABMN COc1ccc(CN2CCC(O)(c3csc(CN(C)Cc4cccnc4)n3)CC2)cc1 ZINC000225475496 291371070 /nfs/dbraw/zinc/37/10/70/291371070.db2.gz XDALPPGDKVHTFP-UHFFFAOYSA-N 0 1 438.597 3.662 40 0 biogenic,in-vitro IHABMN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000021230178 525668142 /nfs/dbraw/zinc/66/81/42/525668142.db2.gz TUSLMRVSFBBWPR-OAHLLOKOSA-N 0 1 428.539 3.705 40 0 IHABMN O=C(CN1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCOCC1 ZINC000072348726 526750805 /nfs/dbraw/zinc/75/08/05/526750805.db2.gz WGFZRAAQSXMCGY-GOSISDBHSA-N 0 1 433.474 3.806 40 0 IHABMN Cn1cc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)c2ccccc21 ZINC000035425322 527201273 /nfs/dbraw/zinc/20/12/73/527201273.db2.gz ONKDUSCMAMPRJW-QFIPXVFZSA-N 0 1 444.539 3.797 40 0 biogenic,in-vitro IHABMN O=C([O-])CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2Br)CC1 ZINC000408613640 555979805 /nfs/dbraw/zinc/97/98/05/555979805.db2.gz ZEKGBHQBQUGOMX-IBGZPJMESA-N 0 1 449.320 3.952 40 0 IHABMN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 ZINC000015437656 556527968 /nfs/dbraw/zinc/52/79/68/556527968.db2.gz WSPIOQFBLQEURJ-UHFFFAOYSA-N 0 1 442.493 3.522 40 0 IHABMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000016681608 556624187 /nfs/dbraw/zinc/62/41/87/556624187.db2.gz UZNOAKHXQFUAJL-UHFFFAOYSA-N 0 1 429.948 3.840 40 0 IHABMN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000039795652 556630216 /nfs/dbraw/zinc/63/02/16/556630216.db2.gz HOWMPWHNWIDBKZ-UHFFFAOYSA-N 0 1 425.510 3.825 40 0 IHABMN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)on1 ZINC000019122998 556701950 /nfs/dbraw/zinc/70/19/50/556701950.db2.gz OCWIVVDAOJIJBU-UHFFFAOYSA-N 0 1 433.516 3.635 40 0 IHABMN Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000257328421 556705684 /nfs/dbraw/zinc/70/56/84/556705684.db2.gz XFOQFUPLKGXDMN-HSZRJFAPSA-N 0 1 434.939 3.700 40 0 IHABMN Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCC(C)CC2)CC3)cc1 ZINC000019209595 556708485 /nfs/dbraw/zinc/70/84/85/556708485.db2.gz DUMZLSQGVWZUHX-HQOBLLPJSA-N 0 1 448.611 3.921 40 0 IHABMN Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCC(C)CC2)CC3)cc1 ZINC000019209595 556708489 /nfs/dbraw/zinc/70/84/89/556708489.db2.gz DUMZLSQGVWZUHX-HQOBLLPJSA-N 0 1 448.611 3.921 40 0 IHABMN O=C(c1cccc(F)c1)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](CC1CC1)CC3 ZINC000019293550 556733120 /nfs/dbraw/zinc/73/31/20/556733120.db2.gz JBGRRAQRNDDICG-QFIPXVFZSA-N 0 1 449.530 3.710 40 0 IHABMN O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019333339 556737961 /nfs/dbraw/zinc/73/79/61/556737961.db2.gz PZAWRDIHDHJBMD-JOCHJYFZSA-N 0 1 438.547 3.918 40 0 IHABMN CC(C)c1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)n[nH]1 ZINC000019451720 556762443 /nfs/dbraw/zinc/76/24/43/556762443.db2.gz YORBQPZDWIRLHR-VWLOTQADSA-N 0 1 434.515 3.900 40 0 IHABMN CCOc1ncc(C2(O)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(OCC)n1 ZINC000019531725 556792320 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/nfs/dbraw/zinc/67/37/30/568673730.db2.gz DEORVIDNRVPOAW-XMMPIXPASA-N 0 1 430.508 3.655 40 0 IHABMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](N2CCC(F)(F)CC2)[C@@H]1O ZINC000257275437 568699957 /nfs/dbraw/zinc/69/99/57/568699957.db2.gz NPKDWDYWDRNKFR-NCXUSEDFSA-N 0 1 426.504 3.582 40 0 IHABMN CN1CCN(c2cc(C(=O)N3CCC[C@H](Cc4ccc5ncccc5c4)CC3)ccn2)CC1 ZINC000257283995 568703762 /nfs/dbraw/zinc/70/37/62/568703762.db2.gz PAUOAQQUORHLEB-NRFANRHFSA-N 0 1 443.595 3.867 40 0 IHABMN Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(CCOc5ccc(F)cc5)[nH]n4)C3)c2c1 ZINC000257288637 568706164 /nfs/dbraw/zinc/70/61/64/568706164.db2.gz PVAXLRWOBNHTPX-JOCHJYFZSA-N 0 1 449.486 3.569 40 0 IHABMN O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(Cc1ccnc3ccccc13)CCO2 ZINC000257298594 568710695 /nfs/dbraw/zinc/71/06/95/568710695.db2.gz RMJZNFQWLMHTGE-HHHXNRCGSA-N 0 1 427.548 3.837 40 0 IHABMN CCn1ncc(CN2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c1C ZINC000257333469 568725727 /nfs/dbraw/zinc/72/57/27/568725727.db2.gz YBSAMXCOFCDZKM-JOCHJYFZSA-N 0 1 429.952 3.783 40 0 IHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672486 568803394 /nfs/dbraw/zinc/80/33/94/568803394.db2.gz AJUONXZSAWBQRQ-NNWRFLSQSA-N 0 1 437.588 3.832 40 0 biogenic,in-vitro IHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672486 568803397 /nfs/dbraw/zinc/80/33/97/568803397.db2.gz AJUONXZSAWBQRQ-NNWRFLSQSA-N 0 1 437.588 3.832 40 0 biogenic,in-vitro IHABMN CN1CCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 ZINC000216839620 568862580 /nfs/dbraw/zinc/86/25/80/568862580.db2.gz MOTNOXKWLVGCTL-UHFFFAOYSA-N 0 1 433.293 3.847 40 0 IHABMN COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCOC(C)C)ccc1O ZINC000008022565 569218861 /nfs/dbraw/zinc/21/88/61/569218861.db2.gz NRCIMEYKTHFDFA-NRFANRHFSA-N 0 1 425.481 3.794 40 0 IHABMN Cc1noc(C)c1CC(=O)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019705051 569233796 /nfs/dbraw/zinc/23/37/96/569233796.db2.gz DEAPFSMXHUMBCW-KRWDZBQOSA-N 0 1 448.502 3.873 40 0 IHABMN Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCN(C(=O)CC5(O)CCCCC5)C4)ccc32)n1 ZINC000019705068 569233848 /nfs/dbraw/zinc/23/38/48/569233848.db2.gz UGSMJIXJJPSOAD-GOSISDBHSA-N 0 1 448.571 3.675 40 0 IHABMN CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2c(C)n(C)c3cc(C)ccc23)n1 ZINC000019760563 569237719 /nfs/dbraw/zinc/23/77/19/569237719.db2.gz GUWXEGPNWWGZQL-QFIPXVFZSA-N 0 1 434.588 3.942 40 0 IHABMN O=S(=O)(Nc1ccc(OCCOCCO)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000226855924 569429728 /nfs/dbraw/zinc/42/97/28/569429728.db2.gz HSOFFLQZZMOZEO-UHFFFAOYSA-N 0 1 440.732 3.835 40 0 IHABMN Cc1nnc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3csc(C)n3)nc(C)n2)s1 ZINC000585291363 569585006 /nfs/dbraw/zinc/58/50/06/569585006.db2.gz OCURPFZYLXTUJS-OZSKJFCKSA-N 0 1 441.586 4.220 40 0 IHABMN COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020453769 524123607 /nfs/dbraw/zinc/12/36/07/524123607.db2.gz OOKXVWHPDJTWPY-UHFFFAOYSA-N 0 1 443.550 3.763 40 0 IHABMN Cc1ccc([C@@H](C)CCN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000012143401 525679816 /nfs/dbraw/zinc/67/98/16/525679816.db2.gz VHJGYNMETPVMRE-GAJHUEQPSA-N 0 1 426.536 3.858 40 0 IHABMN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000022531850 525953804 /nfs/dbraw/zinc/95/38/04/525953804.db2.gz MLSNPXGOODZVOL-INIZCTEOSA-N 0 1 448.504 3.837 40 0 IHABMN c1[nH]c2ccccc2c1CN1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000035425288 526392130 /nfs/dbraw/zinc/39/21/30/526392130.db2.gz AGJZLHGLMSHJHP-NRFANRHFSA-N 0 1 430.512 3.787 40 0 biogenic,in-vitro IHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000020492293 527257877 /nfs/dbraw/zinc/25/78/77/527257877.db2.gz RVMNURULFCDTTA-UHFFFAOYSA-N 0 1 437.525 3.520 40 0 IHABMN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1Cl ZINC000035103687 555772348 /nfs/dbraw/zinc/77/23/48/555772348.db2.gz CDDMSHIAMGWENG-UHFFFAOYSA-N 0 1 432.977 3.617 40 0 IHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000408568102 555911310 /nfs/dbraw/zinc/91/13/10/555911310.db2.gz HWRVEXIEJDAZAR-UHFFFAOYSA-N 0 1 425.573 3.770 40 0 IHABMN COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c(OC)cc1Cl ZINC000408601710 555970184 /nfs/dbraw/zinc/97/01/84/555970184.db2.gz GPJRKILXRCBNEO-UHFFFAOYSA-N 0 1 426.922 3.605 40 0 IHABMN O=C(c1ccccc1I)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000408612496 555977772 /nfs/dbraw/zinc/97/77/72/555977772.db2.gz WGDYILQTKLMRPV-KRWDZBQOSA-N 0 1 432.305 3.564 40 0 IHABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2Br)CC1 ZINC000408613641 555979718 /nfs/dbraw/zinc/97/97/18/555979718.db2.gz ZEKGBHQBQUGOMX-LJQANCHMSA-N 0 1 449.320 3.952 40 0 IHABMN CCOc1ccccc1NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000008665112 556197570 /nfs/dbraw/zinc/19/75/70/556197570.db2.gz YZGOBQCGKBQYCL-QHCPKHFHSA-N 0 1 437.517 3.949 40 0 IHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)c1 ZINC000030752579 556503561 /nfs/dbraw/zinc/50/35/61/556503561.db2.gz RMZZIOQYKPLKIE-UHFFFAOYSA-N 0 1 440.521 3.994 40 0 IHABMN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030850626 556508689 /nfs/dbraw/zinc/50/86/89/556508689.db2.gz ZHTUZOGVBRXNDS-FQEVSTJZSA-N 0 1 425.510 3.987 40 0 IHABMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC[NH+]3CCC(C)CC3)c2C)cc1 ZINC000013668368 556548973 /nfs/dbraw/zinc/54/89/73/556548973.db2.gz RDPWAQFTTVCARQ-UHFFFAOYSA-N 0 1 443.613 3.956 40 0 IHABMN Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000013670711 556551515 /nfs/dbraw/zinc/55/15/15/556551515.db2.gz PCPFWWSDZTVWGD-UHFFFAOYSA-N 0 1 429.586 3.792 40 0 IHABMN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000044880218 556674140 /nfs/dbraw/zinc/67/41/40/556674140.db2.gz FWSWKMJAEJVASQ-FQEVSTJZSA-N 0 1 440.525 3.690 40 0 IHABMN CC(C)(Cc1ccccc1)NC(=O)CN1CCC[C@](O)(COc2ccccc2F)CC1 ZINC000257235988 556709987 /nfs/dbraw/zinc/70/99/87/556709987.db2.gz HAJWFGGZKLZGBC-RUZDIDTESA-N 0 1 428.548 3.559 40 0 IHABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019238675 556723876 /nfs/dbraw/zinc/72/38/76/556723876.db2.gz PMNWPCUMKYGKHY-PXNSSMCTSA-N 0 1 438.597 3.718 40 0 IHABMN Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000019238675 556723879 /nfs/dbraw/zinc/72/38/79/556723879.db2.gz PMNWPCUMKYGKHY-PXNSSMCTSA-N 0 1 438.597 3.718 40 0 IHABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccs3)[n-]c(=O)c2C1 ZINC000019238694 556723997 /nfs/dbraw/zinc/72/39/97/556723997.db2.gz GMLSITAEFFMDFF-KRWDZBQOSA-N 0 1 440.594 3.737 40 0 IHABMN Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccs3)[n-]c(=O)c2C1 ZINC000019238694 556723999 /nfs/dbraw/zinc/72/39/99/556723999.db2.gz GMLSITAEFFMDFF-KRWDZBQOSA-N 0 1 440.594 3.737 40 0 IHABMN CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000019501164 556773005 /nfs/dbraw/zinc/77/30/05/556773005.db2.gz LLPGCLUKQOZLIC-GOSISDBHSA-N 0 1 437.588 3.655 40 0 IHABMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001335232 556776023 /nfs/dbraw/zinc/77/60/23/556776023.db2.gz MJTSXLWDXMTAAL-UHFFFAOYSA-N 0 1 438.572 3.964 40 0 IHABMN Cc1nc(C2CCN(Cc3ccnn3C)CC2)nc2c1CCCN2CCc1ccccc1 ZINC000019705678 556862819 /nfs/dbraw/zinc/86/28/19/556862819.db2.gz YMMDSHRPJSGUAO-UHFFFAOYSA-N 0 1 430.600 3.893 40 0 IHABMN Cc1nc([C@@H]2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)nc2c1CCC(=O)N2C ZINC000019741484 556883820 /nfs/dbraw/zinc/88/38/20/556883820.db2.gz QUEPRSXUWRUVMH-LJQANCHMSA-N 0 1 444.539 3.656 40 0 IHABMN Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCCN2Cc2cccc3cccnc32)n1 ZINC000019767222 556912467 /nfs/dbraw/zinc/91/24/67/556912467.db2.gz ULQNVICYMZSTKI-JOCHJYFZSA-N 0 1 431.540 3.533 40 0 IHABMN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)no1 ZINC000072352784 556925056 /nfs/dbraw/zinc/92/50/56/556925056.db2.gz QQYGGRJEFMFLHD-SFHVURJKSA-N 0 1 425.529 3.888 40 0 IHABMN NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000072370476 556934994 /nfs/dbraw/zinc/93/49/94/556934994.db2.gz LNYXFQRYUGKDJW-LLVKDONJSA-N 0 1 436.459 3.980 40 0 IHABMN Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371442 556938573 /nfs/dbraw/zinc/93/85/73/556938573.db2.gz OCPDPRGJZYPSTG-CQSZACIVSA-N 0 1 433.434 3.711 40 0 IHABMN O=C(CCn1cccn1)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1 ZINC000072371518 556939517 /nfs/dbraw/zinc/93/95/17/556939517.db2.gz RONYRZVYROIJHE-INIZCTEOSA-N 0 1 447.461 3.653 40 0 IHABMN CNc1nc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CCCC2)nc2c1CNCC2 ZINC000072372348 556942249 /nfs/dbraw/zinc/94/22/49/556942249.db2.gz VFSFZFXBDIGFRK-NRFANRHFSA-N 0 1 437.563 3.869 40 0 IHABMN CNc1nc([C@@H]2CCCN2CC(=O)Nc2ccccc2-c2ccccc2)nc2c1CNCC2 ZINC000072372364 556942470 /nfs/dbraw/zinc/94/24/70/556942470.db2.gz ONWYIKKOUDRVMB-QHCPKHFHSA-N 0 1 442.567 3.607 40 0 IHABMN O=C(CN1CCC[C@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373051 556945385 /nfs/dbraw/zinc/94/53/85/556945385.db2.gz FTKXUNYPFAPCJE-GOTSBHOMSA-N 0 1 448.611 3.555 40 0 IHABMN O=C(CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)Nc1nccs1 ZINC000072378320 556957005 /nfs/dbraw/zinc/95/70/05/556957005.db2.gz VYVYQYNSBJTXTP-GOSISDBHSA-N 0 1 431.949 3.917 40 0 IHABMN CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000072398765 556970723 /nfs/dbraw/zinc/97/07/23/556970723.db2.gz ZJZWIZBMFPTGAB-GOSISDBHSA-N 0 1 437.588 3.511 40 0 IHABMN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000020041586 556971921 /nfs/dbraw/zinc/97/19/21/556971921.db2.gz MHBFATRJVCJPML-INIZCTEOSA-N 0 1 440.525 3.554 40 0 IHABMN c1ccc2c(c1)nnn2[C@@H]([C@H](n1nnc2ccccc21)N1CCCCC1)N1CCCCC1 ZINC000022937485 557053355 /nfs/dbraw/zinc/05/33/55/557053355.db2.gz SQABCDAIPVEETJ-ZEQRLZLVSA-N 0 1 430.560 3.845 40 0 IHABMN CCc1ccccc1N1C(=O)C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O ZINC000409299968 557055370 /nfs/dbraw/zinc/05/53/70/557055370.db2.gz WKDXIXKNGFMCFS-VXKWHMMOSA-N 0 1 443.455 3.573 40 0 IHABMN CCc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O ZINC000409299968 557055374 /nfs/dbraw/zinc/05/53/74/557055374.db2.gz WKDXIXKNGFMCFS-VXKWHMMOSA-N 0 1 443.455 3.573 40 0 IHABMN CCN1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183610 557139396 /nfs/dbraw/zinc/13/93/96/557139396.db2.gz MZWYLZZPZYOPCW-XMMPIXPASA-N 0 1 443.547 3.970 40 0 IHABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810874 557173641 /nfs/dbraw/zinc/17/36/41/557173641.db2.gz VIIGYNZJRIWRRR-UHFFFAOYSA-N 0 1 446.431 3.805 40 0 IHABMN CCc1nnc2sc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(C)cc4)c3)nn12 ZINC000010010295 557200490 /nfs/dbraw/zinc/20/04/90/557200490.db2.gz RJCOOYGCTQFAOP-UHFFFAOYSA-N 0 1 429.527 3.533 40 0 IHABMN O=C([C@@H]1CNCCO1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585263259 557203949 /nfs/dbraw/zinc/20/39/49/557203949.db2.gz SPJNNKBUINXOBE-FQEVSTJZSA-N 0 1 449.580 3.643 40 0 IHABMN CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCC[N@H+]4Cc4csc(C)c4)[n-]n3c2=O)C1 ZINC000100234132 557252444 /nfs/dbraw/zinc/25/24/44/557252444.db2.gz ACCMGFREOHMOQI-FQEVSTJZSA-N 0 1 439.585 3.827 40 0 IHABMN CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063993 557278873 /nfs/dbraw/zinc/27/88/73/557278873.db2.gz FWPDNVJHAUCTQT-JOCHJYFZSA-N 0 1 438.576 3.755 40 0 IHABMN CC[C@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000013063993 557278875 /nfs/dbraw/zinc/27/88/75/557278875.db2.gz FWPDNVJHAUCTQT-JOCHJYFZSA-N 0 1 438.576 3.755 40 0 IHABMN O=C(Nc1nnc(S(=O)(=O)NC2CCCCCCC2)s1)c1ccc(Cl)cc1 ZINC000222970133 557409900 /nfs/dbraw/zinc/40/99/00/557409900.db2.gz OSBAOFMJCJFBHE-UHFFFAOYSA-N 0 1 428.967 3.835 40 0 IHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000223844302 557519723 /nfs/dbraw/zinc/51/97/23/557519723.db2.gz IOCOPQDCZUMSIP-UHFFFAOYSA-N 0 1 436.917 3.554 40 0 IHABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000225555596 557741664 /nfs/dbraw/zinc/74/16/64/557741664.db2.gz RGSKGUQWEXWCIS-UHFFFAOYSA-N 0 1 442.872 3.996 40 0 IHABMN COc1ccccc1CC(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000257232505 568680081 /nfs/dbraw/zinc/68/00/81/568680081.db2.gz GLDAGASFSWDDAN-HDICACEKSA-N 0 1 438.572 3.770 40 0 IHABMN Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5ccccc5F)[nH]n4)C3)c2c1 ZINC000257245891 568686512 /nfs/dbraw/zinc/68/65/12/568686512.db2.gz IRNLIZFOVRKCOB-QFIPXVFZSA-N 0 1 449.486 3.569 40 0 IHABMN Cc1ccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3CCc4ccccc4C3)CC2)s1 ZINC000257289871 568706506 /nfs/dbraw/zinc/70/65/06/568706506.db2.gz QANLVLUFXGLRTF-UHFFFAOYSA-N 0 1 434.565 3.998 40 0 IHABMN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCCC1 ZINC000257312245 568716584 /nfs/dbraw/zinc/71/65/84/568716584.db2.gz UMZQSSYFFYXDPP-AMVJKZIMSA-N 0 1 437.628 3.864 40 0 IHABMN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)n1 ZINC000257325263 568722546 /nfs/dbraw/zinc/72/25/46/568722546.db2.gz WSEIMVPGDFLVOI-GOSISDBHSA-N 0 1 426.492 3.715 40 0 IHABMN COCCNC(=O)c1sc2nccnc2c1[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000257331239 568724893 /nfs/dbraw/zinc/72/48/93/568724893.db2.gz XRYCGJSBUDLIPV-INIZCTEOSA-N 0 1 428.533 3.586 40 0 IHABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306126182 568764225 /nfs/dbraw/zinc/76/42/25/568764225.db2.gz DOYWLJZAPUBVST-UKILVPOCSA-N 0 1 448.954 3.527 40 0 IHABMN O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306144108 568773736 /nfs/dbraw/zinc/77/37/36/568773736.db2.gz YWGVFYYMHKYUED-UKILVPOCSA-N 0 1 448.954 3.527 40 0 IHABMN COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063355 569219743 /nfs/dbraw/zinc/21/97/43/569219743.db2.gz DFJWLDALTAAZOK-UHFFFAOYSA-N 0 1 443.975 3.957 40 0 IHABMN COc1cccc(OC)c1CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019567046 569226937 /nfs/dbraw/zinc/22/69/37/569226937.db2.gz DIMAJWSELOWJCI-UQBPGWFLSA-N 0 1 446.551 3.877 40 0 IHABMN COCc1ccc(OC)c(CN2CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 ZINC000019762977 569237924 /nfs/dbraw/zinc/23/79/24/569237924.db2.gz UNIQAUQVVVOMSM-HXUWFJFHSA-N 0 1 438.572 3.556 40 0 IHABMN CCn1nc(C)c(CN2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c1C ZINC000019765402 569238814 /nfs/dbraw/zinc/23/88/14/569238814.db2.gz PMNZKYMWZRLPPR-QFIPXVFZSA-N 0 1 446.599 3.928 40 0 IHABMN CCOC(=O)C1=C(C)NC(Sc2nc(C)cc(CNC)c2C#N)=N[C@@H]1c1ccccc1 ZINC000033525364 569244392 /nfs/dbraw/zinc/24/43/92/569244392.db2.gz HLLNGRHEVCDFMQ-HXUWFJFHSA-N 0 1 435.553 3.611 40 0 IHABMN