smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1Br ZINC000408604034 555973383 /nfs/dbraw/zinc/97/33/83/555973383.db2.gz CVXDNGRVVNCXHW-IBGZPJMESA-N 0 3 429.358 4.121 40 0 IIABHN COc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c(OC)c1 ZINC000009933429 556316804 /nfs/dbraw/zinc/31/68/04/556316804.db2.gz LCJQCOAFKBGZLJ-XMMPIXPASA-N 0 3 436.596 4.397 40 0 IIABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000016611364 556618133 /nfs/dbraw/zinc/61/81/33/556618133.db2.gz QYTQTUFWKUKJBB-KRWDZBQOSA-N 0 3 426.326 4.426 40 0 IIABHN O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038854684 556625387 /nfs/dbraw/zinc/62/53/87/556625387.db2.gz QREUDKFTJOTBSO-IBGZPJMESA-N 0 3 425.960 4.427 40 0 IIABHN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038855878 556625639 /nfs/dbraw/zinc/62/56/39/556625639.db2.gz IHXGUWWHOLLCID-LJQANCHMSA-N 0 3 435.499 4.199 40 0 IIABHN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038855879 556625810 /nfs/dbraw/zinc/62/58/10/556625810.db2.gz IHXGUWWHOLLCID-IBGZPJMESA-N 0 3 435.499 4.199 40 0 IIABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000013513197 556667283 /nfs/dbraw/zinc/66/72/83/556667283.db2.gz IOKLKWPWAMGOPM-HJOGWXRNSA-N 0 3 443.503 4.312 40 0 IIABHN CC(=O)Nc1ccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1 ZINC000019022489 556694295 /nfs/dbraw/zinc/69/42/95/556694295.db2.gz MQMMEEPMHFMYHA-KNQAVFIVSA-N 0 3 445.485 4.400 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000019081887 556696696 /nfs/dbraw/zinc/69/66/96/556696696.db2.gz BWUHHFMUGQHLPG-AUSIDOKSSA-N 0 3 425.573 4.214 40 0 IIABHN O=C1O[C@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1Cc1ccc(F)cc1 ZINC000257213612 556702671 /nfs/dbraw/zinc/70/26/71/556702671.db2.gz CIIKLVYGTASGHS-SANMLTNESA-N 0 3 447.510 4.397 40 0 IIABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019220408 556715127 /nfs/dbraw/zinc/71/51/27/556715127.db2.gz ZXSKBAOOEAWDQF-NRFANRHFSA-N 0 3 448.567 4.267 40 0 IIABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019220408 556715128 /nfs/dbraw/zinc/71/51/28/556715128.db2.gz ZXSKBAOOEAWDQF-NRFANRHFSA-N 0 3 448.567 4.267 40 0 IIABHN Cn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290369 556730589 /nfs/dbraw/zinc/73/05/89/556730589.db2.gz OETSIMZPOQHOSF-FCHUYYIVSA-N 0 3 426.944 4.216 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000013804106 556743012 /nfs/dbraw/zinc/74/30/12/556743012.db2.gz ZPTSNQBCAKAQMC-VJBWXMMDSA-N 0 3 432.451 4.276 40 0 IIABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000085994178 556744075 /nfs/dbraw/zinc/74/40/75/556744075.db2.gz IOKLKWPWAMGOPM-SGNDLWITSA-N 0 3 443.503 4.312 40 0 IIABHN O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 ZINC000019400289 556753296 /nfs/dbraw/zinc/75/32/96/556753296.db2.gz IENKDIJMTSADLM-LSQMVHIFSA-N 0 3 433.502 4.490 40 0 IIABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[n-]c2=O)C1 ZINC000019448359 556758077 /nfs/dbraw/zinc/75/80/77/556758077.db2.gz ZOAMMLWETAHBNF-LJQANCHMSA-N 0 3 440.613 4.256 40 0 IIABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[n-]c2=O)C1 ZINC000019448359 556758080 /nfs/dbraw/zinc/75/80/80/556758080.db2.gz ZOAMMLWETAHBNF-LJQANCHMSA-N 0 3 440.613 4.256 40 0 IIABHN CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(Cc3ccccc3-n3cccn3)C[C@H]21 ZINC000019520110 556775840 /nfs/dbraw/zinc/77/58/40/556775840.db2.gz BRSSIVOGBYFBLL-WIOPSUGQSA-N 0 3 444.579 4.398 40 0 IIABHN CCOc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc1 ZINC000019533281 556793268 /nfs/dbraw/zinc/79/32/68/556793268.db2.gz YGYNLQQKHDYYME-DEOSSOPVSA-N 0 3 429.564 4.280 40 0 IIABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019563106 556804051 /nfs/dbraw/zinc/80/40/51/556804051.db2.gz VYDPHHASBJCMCF-VXKWHMMOSA-N 0 3 442.943 4.214 40 0 IIABHN CC[C@@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCN1CC ZINC000004217035 556820892 /nfs/dbraw/zinc/82/08/92/556820892.db2.gz AELTZOPKAFPBLU-UTKZUKDTSA-N 0 3 428.646 4.104 40 0 IIABHN CN1CCC(Nc2n[nH]c3nc([C@@H]4CCCN(C(=O)CC5CCCCC5)C4)ccc23)CC1 ZINC000019742916 556887218 /nfs/dbraw/zinc/88/72/18/556887218.db2.gz CLTSZRVXUUHTHN-LJQANCHMSA-N 0 3 438.620 4.140 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371467 556939205 /nfs/dbraw/zinc/93/92/05/556939205.db2.gz XWLZHMBMEWFDJQ-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371467 556939208 /nfs/dbraw/zinc/93/92/08/556939208.db2.gz XWLZHMBMEWFDJQ-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371746 556940778 /nfs/dbraw/zinc/94/07/78/556940778.db2.gz MWLAKFLDGQUJBF-QGZVFWFLSA-N 0 3 425.964 4.135 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371746 556940779 /nfs/dbraw/zinc/94/07/79/556940779.db2.gz MWLAKFLDGQUJBF-QGZVFWFLSA-N 0 3 425.964 4.135 40 0 IIABHN Cc1cccnc1Nc1ccc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)nc1 ZINC000072374311 556947752 /nfs/dbraw/zinc/94/77/52/556947752.db2.gz GQIXPUNZLGAXGD-UHFFFAOYSA-N 0 3 442.567 4.099 40 0 IIABHN Cc1nc2cc([C@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257310167 557003759 /nfs/dbraw/zinc/00/37/59/557003759.db2.gz UDYHQPIBEFZRHE-WIYYLYMNSA-N 0 3 445.558 4.153 40 0 IIABHN Cc1ccc2ncc(CN3CCC4(CC(Nc5cc(C(F)(F)F)ncn5)C4)CC3)n2c1 ZINC000585103197 557037094 /nfs/dbraw/zinc/03/70/94/557037094.db2.gz MVSKLQTZTALPML-UHFFFAOYSA-N 0 3 430.478 4.308 40 0 IIABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102737064 557131644 /nfs/dbraw/zinc/13/16/44/557131644.db2.gz OJTVJQQTIRDHQH-IPMKNSEASA-N 0 3 429.314 4.174 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000006197724 557149369 /nfs/dbraw/zinc/14/93/69/557149369.db2.gz KGHOWJSKRZNSRR-GOSISDBHSA-N 0 3 436.625 4.090 40 0 IIABHN Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 ZINC000585263026 557203094 /nfs/dbraw/zinc/20/30/94/557203094.db2.gz HUZYZWMBANVUOU-UHFFFAOYSA-N 0 3 436.585 4.095 40 0 IIABHN CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(C2CCCCC2)CC1 ZINC000019499698 557499688 /nfs/dbraw/zinc/49/96/88/557499688.db2.gz OCKVDLLRLLFYDC-XMMPIXPASA-N 0 3 447.631 4.406 40 0 IIABHN COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000064198147 557832560 /nfs/dbraw/zinc/83/25/60/557832560.db2.gz VRKKVUUNLQWSCP-LSRZYVKLSA-N 0 3 441.959 4.467 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585271260 568617528 /nfs/dbraw/zinc/61/75/28/568617528.db2.gz MFVNJGGGFWBHAU-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1cnn(CCOc2ccc(CN3CCC[C@](O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585274634 568618675 /nfs/dbraw/zinc/61/86/75/568618675.db2.gz XVZFANVFFFPHCV-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1nc2cc([C@@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201499 568665836 /nfs/dbraw/zinc/66/58/36/568665836.db2.gz AHXQQVAKUYXRLP-URXFXBBRSA-N 0 3 435.616 4.394 40 0 IIABHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257205611 568667489 /nfs/dbraw/zinc/66/74/89/568667489.db2.gz AZVQTBRKNJZVPO-KRWDZBQOSA-N 0 3 444.532 4.446 40 0 IIABHN CNc1ncc(CN2CCC3(CC2)CO[C@@H]2c4ccc(OC)cc4OC(C)(C)[C@H]2C3)cn1 ZINC000257265337 568695642 /nfs/dbraw/zinc/69/56/42/568695642.db2.gz LYGYKCJMNUVVOL-RBBKRZOGSA-N 0 3 438.572 4.058 40 0 IIABHN CCOc1ccc(CN2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1CO ZINC000257267382 568696449 /nfs/dbraw/zinc/69/64/49/568696449.db2.gz MHBFWTSGUNEMOL-SFHVURJKSA-N 0 3 438.593 4.484 40 0 IIABHN CCOc1ccc(CN2CCC(c3cncc(Nc4nc(C)cs4)n3)CC2)cc1CO ZINC000257292649 568707927 /nfs/dbraw/zinc/70/79/27/568707927.db2.gz QMLBHHBKMSITDK-UHFFFAOYSA-N 0 3 439.585 4.256 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccncc2)CC1 ZINC000257295153 568709014 /nfs/dbraw/zinc/70/90/14/568709014.db2.gz QXEQEBIIFOCWAX-UHFFFAOYSA-N 0 3 428.580 4.493 40 0 IIABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1OC ZINC000306129394 568765693 /nfs/dbraw/zinc/76/56/93/568765693.db2.gz IBVUJMWXVRLBQE-HXUWFJFHSA-N 0 3 429.524 4.188 40 0 IIABHN O=C(c1ccccc1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306143386 568773229 /nfs/dbraw/zinc/77/32/29/568773229.db2.gz YAVUFYVFZQEMAG-UHFFFAOYSA-N 0 3 442.563 4.170 40 0 IIABHN Cc1cccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)c1C ZINC000328966690 568807995 /nfs/dbraw/zinc/80/79/95/568807995.db2.gz COBYRXZYOBZCQA-UHFFFAOYSA-N 0 3 445.489 4.220 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235412 569224874 /nfs/dbraw/zinc/22/48/74/569224874.db2.gz IKQAXIIUWAIAGU-HFZDXXHNSA-N 0 3 438.568 4.034 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000019577342 569227162 /nfs/dbraw/zinc/22/71/62/569227162.db2.gz XKQSCTLRMDHXOT-ATIYNZHBSA-N 0 3 444.579 4.485 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C1)CO2 ZINC000019704674 569233689 /nfs/dbraw/zinc/23/36/89/569233689.db2.gz RGHSTAWBIOUUPD-SFHVURJKSA-N 0 3 435.499 4.402 40 0 IIABHN COc1ccccc1-c1ccccc1CN1CC[C@@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019739000 569236287 /nfs/dbraw/zinc/23/62/87/569236287.db2.gz UTVGSIOIVJOBPH-HXUWFJFHSA-N 0 3 442.563 4.359 40 0 IIABHN CCOC(=O)c1c(NC(=O)CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2cc(OC)ccc2n1C ZINC000009109790 569293837 /nfs/dbraw/zinc/29/38/37/569293837.db2.gz RZZYYEPAEZYLPZ-LMKMVOKYSA-N 0 3 441.572 4.203 40 0 IIABHN COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2CCc2ccccc2)cc1 ZINC000019752114 569328443 /nfs/dbraw/zinc/32/84/43/569328443.db2.gz PPSPJPBUNBMSFP-XMMPIXPASA-N 0 3 430.552 4.103 40 0 IIABHN COc1cccc(CNC(=O)c2cnc([C@H]3CCN(Cc4ccccc4C)C3)nc2C)c1 ZINC000019757938 569328719 /nfs/dbraw/zinc/32/87/19/569328719.db2.gz WDPRPGVCIFNJPJ-QFIPXVFZSA-N 0 3 430.552 4.022 40 0 IIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000022531588 521026326 /nfs/dbraw/zinc/02/63/26/521026326.db2.gz FCVFYUZIVYEGOX-QFIPXVFZSA-N 0 3 435.568 4.080 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012711734 521633728 /nfs/dbraw/zinc/63/37/28/521633728.db2.gz LXKKQTBIVFZNGZ-HSZRJFAPSA-N 0 3 432.568 4.033 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012711753 521653071 /nfs/dbraw/zinc/65/30/71/521653071.db2.gz BYZLHDXGZGEVNA-QFIPXVFZSA-N 0 3 448.567 4.364 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235416 525537055 /nfs/dbraw/zinc/53/70/55/525537055.db2.gz IKQAXIIUWAIAGU-LVXARBLLSA-N 0 3 438.568 4.034 40 0 IIABHN O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503203 527448210 /nfs/dbraw/zinc/44/82/10/527448210.db2.gz VPPAIKUIYGKQFD-FUHWJXTLSA-N 0 3 432.545 4.435 40 0 biogenic,in-vitro IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000002199947 556059099 /nfs/dbraw/zinc/05/90/99/556059099.db2.gz ZOJIDIFKCOZITF-VXNXHJTFSA-N 0 3 428.488 4.309 40 0 IIABHN Clc1ccc(N2CCN(CCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000031666583 556525510 /nfs/dbraw/zinc/52/55/10/556525510.db2.gz XTIHYMWUBKINJP-UHFFFAOYSA-N 0 3 433.427 4.328 40 0 IIABHN COc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000039964009 556631027 /nfs/dbraw/zinc/63/10/27/556631027.db2.gz AGNAOZFYRQLXHD-QFIPXVFZSA-N 0 3 444.466 4.301 40 0 IIABHN COc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3F)n3c4ccccc4nc32)cc1 ZINC000039964008 556631051 /nfs/dbraw/zinc/63/10/51/556631051.db2.gz AGNAOZFYRQLXHD-JOCHJYFZSA-N 0 3 444.466 4.301 40 0 IIABHN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000101033029 556652601 /nfs/dbraw/zinc/65/26/01/556652601.db2.gz HKVSAYZUUFBPRN-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856925 556672691 /nfs/dbraw/zinc/67/26/91/556672691.db2.gz NITZGWKLTPEWQY-KNQAVFIVSA-N 0 3 449.016 4.223 40 0 IIABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857022 556672881 /nfs/dbraw/zinc/67/28/81/556672881.db2.gz BWMIZDKTAXRRLR-HSZRJFAPSA-N 0 3 428.598 4.203 40 0 IIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2OC[C@H]2CCCO2)CC1 ZINC000019021143 556693660 /nfs/dbraw/zinc/69/36/60/556693660.db2.gz YGGNVPIWIMVWTD-HSZRJFAPSA-N 0 3 426.532 4.011 40 0 IIABHN COCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cc(C(C)(C)C)ccc2OC)CC1 ZINC000019084431 556698461 /nfs/dbraw/zinc/69/84/61/556698461.db2.gz HGRNJQPGOHFHPC-RUZDIDTESA-N 0 3 439.600 4.104 40 0 IIABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084444 556698502 /nfs/dbraw/zinc/69/85/02/556698502.db2.gz NSQZLUIKOWJEHY-PKTZIBPZSA-N 0 3 425.569 4.377 40 0 IIABHN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCN3CCCC[C@H]3C)CCCO2)c1 ZINC000257218451 556703373 /nfs/dbraw/zinc/70/33/73/556703373.db2.gz DDFGDFAMEXDXDS-JIPXPUAJSA-N 0 3 436.596 4.445 40 0 IIABHN COc1ccc(C)cc1CN1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133420 556705048 /nfs/dbraw/zinc/70/50/48/556705048.db2.gz ACLNHLSHFOFFLO-HXUWFJFHSA-N 0 3 446.599 4.174 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cccc3ccncc32)C1 ZINC000257342487 556707470 /nfs/dbraw/zinc/70/74/70/556707470.db2.gz ZOWOIGIIRDBAHZ-NRFANRHFSA-N 0 3 429.564 4.162 40 0 IIABHN Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208486 556708299 /nfs/dbraw/zinc/70/82/99/556708299.db2.gz PPKUEFAROCEDNC-QHCPKHFHSA-N 0 3 448.611 4.433 40 0 IIABHN Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208486 556708300 /nfs/dbraw/zinc/70/83/00/556708300.db2.gz PPKUEFAROCEDNC-QHCPKHFHSA-N 0 3 448.611 4.433 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ccccc3F)CO2)C1 ZINC000257234643 556709673 /nfs/dbraw/zinc/70/96/73/556709673.db2.gz GUMXZVZBJXLNDR-RLWLMLJZSA-N 0 3 438.543 4.264 40 0 IIABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257280930 556714960 /nfs/dbraw/zinc/71/49/60/556714960.db2.gz OMZHIFRCXCSWCF-MHZLTWQESA-N 0 3 429.564 4.283 40 0 IIABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374120 556750728 /nfs/dbraw/zinc/75/07/28/556750728.db2.gz FYVXUOWXUSIGAV-RPBOFIJWSA-N 0 3 431.532 4.443 40 0 IIABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[n-]c2=O)C1 ZINC000019448389 556757877 /nfs/dbraw/zinc/75/78/77/556757877.db2.gz JZUUDJGJNSRILY-QFIPXVFZSA-N 0 3 434.584 4.124 40 0 IIABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[n-]c2=O)C1 ZINC000019448389 556757879 /nfs/dbraw/zinc/75/78/79/556757879.db2.gz JZUUDJGJNSRILY-QFIPXVFZSA-N 0 3 434.584 4.124 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000101195627 556761789 /nfs/dbraw/zinc/76/17/89/556761789.db2.gz ZPTSNQBCAKAQMC-VABKMULXSA-N 0 3 432.451 4.276 40 0 IIABHN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cnc(CC)nc2)C1 ZINC000019523329 556780845 /nfs/dbraw/zinc/78/08/45/556780845.db2.gz LWHWNXGCFIUGCL-VWLOTQADSA-N 0 3 434.609 4.338 40 0 IIABHN COc1ccc2c(c1)[nH]cc2[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019563101 556804038 /nfs/dbraw/zinc/80/40/38/556804038.db2.gz VYDPHHASBJCMCF-YADHBBJMSA-N 0 3 442.943 4.214 40 0 IIABHN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc2c1C ZINC000019576805 556815177 /nfs/dbraw/zinc/81/51/77/556815177.db2.gz YHTBWGKKGTVZDA-JOCHJYFZSA-N 0 3 433.556 4.024 40 0 IIABHN Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc2c1C ZINC000019576805 556815179 /nfs/dbraw/zinc/81/51/79/556815179.db2.gz YHTBWGKKGTVZDA-JOCHJYFZSA-N 0 3 433.556 4.024 40 0 IIABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000004231227 556820608 /nfs/dbraw/zinc/82/06/08/556820608.db2.gz OQUAAGQLNJFKON-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN COc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019584431 556821969 /nfs/dbraw/zinc/82/19/69/556821969.db2.gz NMHYYQFUVHYOJC-FQEVSTJZSA-N 0 3 433.556 4.001 40 0 IIABHN CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019591317 556826514 /nfs/dbraw/zinc/82/65/14/556826514.db2.gz QHVLJZOLQGTWFR-MHZLTWQESA-N 0 3 429.564 4.328 40 0 IIABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000006301324 556832450 /nfs/dbraw/zinc/83/24/50/556832450.db2.gz NWEBDBPMRLTBAQ-IBGZPJMESA-N 0 3 436.625 4.144 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008586313 556841767 /nfs/dbraw/zinc/84/17/67/556841767.db2.gz SDACTFXNGMCQLR-QFIPXVFZSA-N 0 3 438.616 4.474 40 0 IIABHN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3ccc(C)cc3OC)c2)cn1 ZINC000019691000 556846917 /nfs/dbraw/zinc/84/69/17/556846917.db2.gz YLNAWKBAUAAMHP-XMMPIXPASA-N 0 3 430.552 4.466 40 0 IIABHN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000019694122 556849410 /nfs/dbraw/zinc/84/94/10/556849410.db2.gz PILYJDVTIPQYNO-UHFFFAOYSA-N 0 3 449.986 4.342 40 0 IIABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccc(Cl)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325576 556902893 /nfs/dbraw/zinc/90/28/93/556902893.db2.gz PZGVUGMIEUTYHJ-QFIPXVFZSA-N 0 3 432.351 4.300 40 0 IIABHN O=C1N[C@]2(COC3(C2)CCN(Cc2ccc4ncccc4c2)CC3)Nc2ccc(Cl)cc21 ZINC000072325581 556902995 /nfs/dbraw/zinc/90/29/95/556902995.db2.gz UDPAHTSBUZQVBE-RUZDIDTESA-N 0 3 448.954 4.195 40 0 IIABHN CN1CCC(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359854 556933134 /nfs/dbraw/zinc/93/31/34/556933134.db2.gz LXEOCJDOFDWRPI-GOSISDBHSA-N 0 3 432.490 4.210 40 0 IIABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cnc(N(C)C)nc1 ZINC000072370732 556936371 /nfs/dbraw/zinc/93/63/71/556936371.db2.gz XWAYTHFEVIEPFV-GOSISDBHSA-N 0 3 437.613 4.104 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371468 556938874 /nfs/dbraw/zinc/93/88/74/556938874.db2.gz XWLZHMBMEWFDJQ-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371468 556938878 /nfs/dbraw/zinc/93/88/78/556938878.db2.gz XWLZHMBMEWFDJQ-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN COc1cccc(CN2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)c1OC ZINC000585166500 557128412 /nfs/dbraw/zinc/12/84/12/557128412.db2.gz SPLPJTICDKKZNA-UHFFFAOYSA-N 0 3 445.563 4.076 40 0 IIABHN Cc1cccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC2CC2)C3)c1 ZINC000096263535 557191392 /nfs/dbraw/zinc/19/13/92/557191392.db2.gz JWIABJBVGDZRPG-UHFFFAOYSA-N 0 3 440.609 4.071 40 0 IIABHN COc1ccccc1-c1ccc(CC2(C(=O)N(C)C3CCN(C)CC3)CCOCC2)cc1 ZINC000585263070 557202977 /nfs/dbraw/zinc/20/29/77/557202977.db2.gz INAUMWSTKASGOJ-UHFFFAOYSA-N 0 3 436.596 4.254 40 0 IIABHN O=C(CCc1ccc(F)cc1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355237 557387371 /nfs/dbraw/zinc/38/73/71/557387371.db2.gz DQAVHNPGCGPDGC-XMMPIXPASA-N 0 3 431.555 4.357 40 0 IIABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259206 557452027 /nfs/dbraw/zinc/45/20/27/557452027.db2.gz SHVGCQNJGJABON-SFTDATJTSA-N 0 3 443.979 4.199 40 0 IIABHN CN1CCN(c2ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)CC1 ZINC000225588429 557748202 /nfs/dbraw/zinc/74/82/02/557748202.db2.gz DWUSPQWFCRLTBW-UHFFFAOYSA-N 0 3 444.982 4.082 40 0 IIABHN CN1CCC(Oc2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)CC1 ZINC000225772046 557775557 /nfs/dbraw/zinc/77/55/57/557775557.db2.gz BKAXFJASVMPZPP-UHFFFAOYSA-N 0 3 434.403 4.409 40 0 IIABHN O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000008635718 560106936 /nfs/dbraw/zinc/10/69/36/560106936.db2.gz TYLNWEHQWYXACE-TUNNFDKTSA-N 0 3 443.513 4.208 40 0 biogenic,in-vitro IIABHN Cc1ccn(CCOc2ccc(CN3CCC[C@@](O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000585272955 568618061 /nfs/dbraw/zinc/61/80/61/568618061.db2.gz LQNIOAAKYYYPDL-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN C[C@H]1C[C@H](C)CN(CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197527 568664801 /nfs/dbraw/zinc/66/48/01/568664801.db2.gz CBALBWOTUMDPJG-VXKWHMMOSA-N 0 3 435.612 4.182 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257260222 568693243 /nfs/dbraw/zinc/69/32/43/568693243.db2.gz LBVYNMAYTKSSIH-MRXNPFEDSA-N 0 3 445.489 4.458 40 0 IIABHN Cc1ccccc1CN1CC[C@@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000257276960 568700914 /nfs/dbraw/zinc/70/09/14/568700914.db2.gz NVWYMRPNGYPJNC-HSZRJFAPSA-N 0 3 446.570 4.389 40 0 IIABHN CN(CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257295137 568708912 /nfs/dbraw/zinc/70/89/12/568708912.db2.gz QXDDELFGUZIAMR-XMMPIXPASA-N 0 3 449.986 4.301 40 0 IIABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n1 ZINC000257305566 568713838 /nfs/dbraw/zinc/71/38/38/568713838.db2.gz SQOIFSLOSIIMRZ-LJQANCHMSA-N 0 3 434.515 4.231 40 0 IIABHN CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cnn(C)c2)CC1 ZINC000257314416 568717345 /nfs/dbraw/zinc/71/73/45/568717345.db2.gz UWWCHBLLOSRJNC-UHFFFAOYSA-N 0 3 436.625 4.500 40 0 IIABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CN4Cc5ccccc5C4=O)C3)c2)cc1 ZINC000257337181 568727418 /nfs/dbraw/zinc/72/74/18/568727418.db2.gz YRTGWPBVBBHWNL-OAQYLSRUSA-N 0 3 440.547 4.414 40 0 IIABHN O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063637 569219914 /nfs/dbraw/zinc/21/99/14/569219914.db2.gz HJGKDXYESGDHCN-UHFFFAOYSA-N 0 3 446.526 4.001 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235404 569224820 /nfs/dbraw/zinc/22/48/20/569224820.db2.gz IKQAXIIUWAIAGU-QFQXNSOFSA-N 0 3 438.568 4.034 40 0 IIABHN NC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000019702612 569232171 /nfs/dbraw/zinc/23/21/71/569232171.db2.gz CVVCMOWZFHTMNR-GOSISDBHSA-N 0 3 444.560 4.359 40 0 IIABHN COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855509 569249289 /nfs/dbraw/zinc/24/92/89/569249289.db2.gz AQNZQDWAZCGMJZ-AVRDEDQJSA-N 0 3 426.532 4.465 40 0 IIABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000018086105 569284772 /nfs/dbraw/zinc/28/47/72/569284772.db2.gz OJTVJQQTIRDHQH-OTWHNJEPSA-N 0 3 429.314 4.174 40 0 IIABHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009358083 569295814 /nfs/dbraw/zinc/29/58/14/569295814.db2.gz BFWHVTSVWUKBED-YPAWHYETSA-N 0 3 434.879 4.400 40 0 IIABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(OC)c2)CC1 ZINC000019700154 569327007 /nfs/dbraw/zinc/32/70/07/569327007.db2.gz MQAWZXVLRIQVQO-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(C/C(C)=C/c2ccccc2)C3)c(OCC)n1 ZINC000012181074 521611058 /nfs/dbraw/zinc/61/10/58/521611058.db2.gz AYTANAWLCYLAPA-HLTCHCCRSA-N 0 3 437.584 4.297 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635531 521653395 /nfs/dbraw/zinc/65/33/95/521653395.db2.gz JGBICDYUELOJES-QHCPKHFHSA-N 0 3 448.636 4.198 40 0 IIABHN COc1ccc([C@@H]2C[N@H+](C/C=C\c3ccccc3OC)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000012163481 525256814 /nfs/dbraw/zinc/25/68/14/525256814.db2.gz QFAFNSMZCSIWFQ-YPLDTAFMSA-N 0 3 431.536 4.404 40 0 IIABHN COc1ccc([C@@H]2C[N@@H+](C/C=C\c3ccccc3OC)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000012163481 525256824 /nfs/dbraw/zinc/25/68/24/525256824.db2.gz QFAFNSMZCSIWFQ-YPLDTAFMSA-N 0 3 431.536 4.404 40 0 IIABHN COc1ccc([C@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCCN32)cc1O ZINC000003847183 555948436 /nfs/dbraw/zinc/94/84/36/555948436.db2.gz TYTIBYQBVJUCGJ-BAGYTPMASA-N 0 3 425.525 4.340 40 0 IIABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964032 556630933 /nfs/dbraw/zinc/63/09/33/556630933.db2.gz MXJHJUNVQRZVAL-JOCHJYFZSA-N 0 3 428.467 4.335 40 0 IIABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000039964023 556630950 /nfs/dbraw/zinc/63/09/50/556630950.db2.gz PXOFTRASHMNJAN-QFIPXVFZSA-N 0 3 428.467 4.335 40 0 IIABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000019020535 556693364 /nfs/dbraw/zinc/69/33/64/556693364.db2.gz UDRHPNIGGWDEKH-AREMUKBSSA-N 0 3 430.552 4.145 40 0 IIABHN OC1(COc2ccc(CN3CCC[C@@](O)(COc4ccccc4)C3)cc2)CCCCC1 ZINC000257206487 556701917 /nfs/dbraw/zinc/70/19/17/556701917.db2.gz BDROZWSUZJGKSU-SANMLTNESA-N 0 3 425.569 4.167 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccn3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000138429817 556702695 /nfs/dbraw/zinc/70/26/95/556702695.db2.gz CABXKYXOJAOEDY-UFYCRDLUSA-N 0 3 439.393 4.152 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cccc3cnccc32)C1 ZINC000257234593 556709708 /nfs/dbraw/zinc/70/97/08/556709708.db2.gz GUGPJGRMPZKQIT-OAQYLSRUSA-N 0 3 429.564 4.162 40 0 IIABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000257280929 556714826 /nfs/dbraw/zinc/71/48/26/556714826.db2.gz OMZHIFRCXCSWCF-HHHXNRCGSA-N 0 3 429.564 4.283 40 0 IIABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374125 556750686 /nfs/dbraw/zinc/75/06/86/556750686.db2.gz FYVXUOWXUSIGAV-LOSJGSFVSA-N 0 3 431.532 4.443 40 0 IIABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)[n-]c2=O)C1 ZINC000019448375 556757987 /nfs/dbraw/zinc/75/79/87/556757987.db2.gz QLGGDAOKNFAGQM-HXUWFJFHSA-N 0 3 440.613 4.256 40 0 IIABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3csc4c3CCCC4)[n-]c2=O)C1 ZINC000019448375 556757989 /nfs/dbraw/zinc/75/79/89/556757989.db2.gz QLGGDAOKNFAGQM-HXUWFJFHSA-N 0 3 440.613 4.256 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001378310 556795280 /nfs/dbraw/zinc/79/52/80/556795280.db2.gz UMKYGHJTVFXOLK-FQEVSTJZSA-N 0 3 436.531 4.494 40 0 IIABHN COc1ccccc1CN1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019570102 556810208 /nfs/dbraw/zinc/81/02/08/556810208.db2.gz XAFQWGFCBGZOKU-HHHXNRCGSA-N 0 3 429.564 4.402 40 0 IIABHN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1 ZINC000019591279 556826481 /nfs/dbraw/zinc/82/64/81/556826481.db2.gz BLNLJHKVBBGNEM-MHZLTWQESA-N 0 3 447.554 4.467 40 0 IIABHN COc1cccc2ccc(CN3CCC(c4cc(-c5cnc(N)nc5)cc(C)n4)CC3)nc21 ZINC000019692196 556848383 /nfs/dbraw/zinc/84/83/83/556848383.db2.gz ROCMSXZKLQXUCE-UHFFFAOYSA-N 0 3 440.551 4.366 40 0 IIABHN CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C ZINC000019695298 556851851 /nfs/dbraw/zinc/85/18/51/556851851.db2.gz WBHRVZGYYQLBFE-UHFFFAOYSA-N 0 3 434.588 4.123 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000072330394 556905499 /nfs/dbraw/zinc/90/54/99/556905499.db2.gz PNFINCDYPJJPDZ-CPJSRVTESA-N 0 3 437.584 4.359 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000072330545 556906161 /nfs/dbraw/zinc/90/61/61/556906161.db2.gz BLUMNIDFEGVAGV-RLWLMLJZSA-N 0 3 445.563 4.482 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccncc2)CC1 ZINC000072345031 556916352 /nfs/dbraw/zinc/91/63/52/556916352.db2.gz HRTGXAMGCMSDJF-UHFFFAOYSA-N 0 3 428.580 4.493 40 0 IIABHN Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000072351284 556921018 /nfs/dbraw/zinc/92/10/18/556921018.db2.gz UDYHQPIBEFZRHE-GHTZIAJQSA-N 0 3 445.558 4.153 40 0 IIABHN CCn1nc(C)c(CN2CC[C@H](c3c4ccccc4sc3C(=O)NCCOC)C2)c1C ZINC000072352300 556923598 /nfs/dbraw/zinc/92/35/98/556923598.db2.gz WNLJDCVCUZOGAX-SFHVURJKSA-N 0 3 440.613 4.100 40 0 IIABHN Cc1ncc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000072352333 556923900 /nfs/dbraw/zinc/92/39/00/556923900.db2.gz BJGLNXCBMIDYAH-MRXNPFEDSA-N 0 3 427.595 4.128 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C1)OCCO2 ZINC000072375039 556950532 /nfs/dbraw/zinc/95/05/32/556950532.db2.gz MLCYNJKNOIMBTA-GOSISDBHSA-N 0 3 447.539 4.083 40 0 IIABHN O=C(Nc1cccc(Cl)c1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096144670 557173102 /nfs/dbraw/zinc/17/31/02/557173102.db2.gz ZXESILFMCGKHKG-NRFANRHFSA-N 0 3 436.943 4.065 40 0 IIABHN Cc1cccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC(C)C)[C@H]3CC2)c1 ZINC000096145761 557175441 /nfs/dbraw/zinc/17/54/41/557175441.db2.gz AHLRTFWKIXQITQ-VXKWHMMOSA-N 0 3 428.598 4.067 40 0 IIABHN CC(=O)N1CCN(C(=O)c2ccccc2CN2CCCC2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000585262010 557198474 /nfs/dbraw/zinc/19/84/74/557198474.db2.gz WDCLSJZVEGVKIO-SANMLTNESA-N 0 3 449.595 4.115 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585272676 557217295 /nfs/dbraw/zinc/21/72/95/557217295.db2.gz VJJYCZIJMXMNMN-MHZLTWQESA-N 0 3 449.595 4.457 40 0 IIABHN CCOC(=O)c1cc(NC(=S)NCCCN2CCc3ccccc3C2)ccc1Cl ZINC000225743781 557771757 /nfs/dbraw/zinc/77/17/57/557771757.db2.gz QIFBBQOJOXVWGX-UHFFFAOYSA-N 0 3 431.989 4.252 40 0 IIABHN O=C(Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000225904596 557789914 /nfs/dbraw/zinc/78/99/14/557789914.db2.gz BXEZSHVYHYUDHZ-NRFANRHFSA-N 0 3 439.987 4.356 40 0 IIABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)C2CCCCC2)C1 ZINC000006137746 560205393 /nfs/dbraw/zinc/20/53/93/560205393.db2.gz PAUQKVNRLVXKRX-SIKLNZKXSA-N 0 3 433.596 4.103 40 0 biogenic,in-vitro IIABHN CC(=O)Nc1ccc(NC(=O)CN2C[C@@H]3[C@@H](Cc4ccccc4Cl)CC[C@@H]3C2)cc1 ZINC000257203826 568667077 /nfs/dbraw/zinc/66/70/77/568667077.db2.gz ARUQPSGIGNLLHY-SFGWALBWSA-N 0 3 425.960 4.438 40 0 IIABHN O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1CN1CCCCC1)c1ccccc1 ZINC000257227144 568677641 /nfs/dbraw/zinc/67/76/41/568677641.db2.gz FNXMFBKPFZPHPF-XMMPIXPASA-N 0 3 433.596 4.487 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4cnc(OC)nc4)CC3)CO[C@H]21 ZINC000257268402 568696891 /nfs/dbraw/zinc/69/68/91/568696891.db2.gz MLNLOWPUJNTJJO-RBBKRZOGSA-N 0 3 439.556 4.025 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000019555096 569226934 /nfs/dbraw/zinc/22/69/34/569226934.db2.gz BLUMNIDFEGVAGV-QFQXNSOFSA-N 0 3 445.563 4.482 40 0 IIABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019570226 569226970 /nfs/dbraw/zinc/22/69/70/569226970.db2.gz KPSGNWCGUSETNL-YIXXDRMTSA-N 0 3 429.564 4.402 40 0 IIABHN Cc1ccc(CN2CC[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1C ZINC000019702614 569232168 /nfs/dbraw/zinc/23/21/68/569232168.db2.gz FEDIDYVDMYQVEP-HXUWFJFHSA-N 0 3 435.593 4.375 40 0 IIABHN COc1ccc2c(c1)C=C(CN1[C@H](Cc3ccccc3)C[C@@H]3NC(=O)CCCC[C@H]31)CO2 ZINC000019713885 569235734 /nfs/dbraw/zinc/23/57/34/569235734.db2.gz UAOROPNWOBGPFJ-PZUNEJSGSA-N 0 3 432.564 4.215 40 0 IIABHN COc1ccccc1NC(=O)c1cnc([C@H]2CCN(Cc3ccc(C)cc3OC)C2)nc1C ZINC000019766095 569239161 /nfs/dbraw/zinc/23/91/61/569239161.db2.gz SNBYJGDFKORUTQ-FQEVSTJZSA-N 0 3 446.551 4.352 40 0 IIABHN O=C1CCCN1c1ccc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cc1 ZINC000019713784 569327828 /nfs/dbraw/zinc/32/78/28/569327828.db2.gz FHAZXGZPHGLUML-RPBOFIJWSA-N 0 3 449.570 4.498 40 0 IIABHN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 ZINC000008635899 291383407 /nfs/dbraw/zinc/38/34/07/291383407.db2.gz JEAXPXKRWFVKBI-WPYKKVEZSA-N 0 3 445.567 4.095 40 0 biogenic,in-vitro IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705855 521652972 /nfs/dbraw/zinc/65/29/72/521652972.db2.gz WNLDVXDNYWQOFM-QHCPKHFHSA-N 0 3 438.616 4.474 40 0 IIABHN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000012602103 526183357 /nfs/dbraw/zinc/18/33/57/526183357.db2.gz HPJMFFJNBQMKGD-WWNPGLIZSA-N 0 3 432.543 4.142 40 0 biogenic,in-vitro IIABHN O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039757641 556441394 /nfs/dbraw/zinc/44/13/94/556441394.db2.gz NEFVHWDVRQRBQM-UHFFFAOYSA-N 0 3 427.548 4.467 40 0 IIABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000100901019 556599936 /nfs/dbraw/zinc/59/99/36/556599936.db2.gz QDYNHOKMRBDKAV-JRFVFWCSSA-N 0 3 428.488 4.369 40 0 IIABHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000100934100 556612059 /nfs/dbraw/zinc/61/20/59/556612059.db2.gz FSPQQKSLNXBBCG-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038857186 556625723 /nfs/dbraw/zinc/62/57/23/556625723.db2.gz JYNPBSKIFDBRPP-HXUWFJFHSA-N 0 3 429.967 4.348 40 0 IIABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000101075925 556653750 /nfs/dbraw/zinc/65/37/50/556653750.db2.gz OJTVJQQTIRDHQH-FHWLQOOXSA-N 0 3 429.314 4.174 40 0 IIABHN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855507 556671690 /nfs/dbraw/zinc/67/16/90/556671690.db2.gz AQNZQDWAZCGMJZ-GCJKJVERSA-N 0 3 426.532 4.465 40 0 IIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCc2cccnc2)CC1 ZINC000019021156 556693572 /nfs/dbraw/zinc/69/35/72/556693572.db2.gz POMHGIWZYJXBAH-UHFFFAOYSA-N 0 3 433.527 4.427 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000019081778 556696426 /nfs/dbraw/zinc/69/64/26/556696426.db2.gz HREILENEUGTJQZ-NBGIEHNGSA-N 0 3 449.595 4.482 40 0 IIABHN CCN1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000257323344 556704487 /nfs/dbraw/zinc/70/44/87/556704487.db2.gz WJTURLHADOUUQM-XMMPIXPASA-N 0 3 436.596 4.302 40 0 IIABHN Cc1ccn(CCCOc2ccc(CN3CCC[C@](O)(COc4ccccc4)C3)cc2)n1 ZINC000257229305 556709004 /nfs/dbraw/zinc/70/90/04/556709004.db2.gz FXOSWYZSNRBUBA-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@H]3C2=O)c1 ZINC000036091223 556715919 /nfs/dbraw/zinc/71/59/19/556715919.db2.gz GWDKFFDTNYDZTC-ZLNRFVROSA-N 0 3 446.528 4.468 40 0 IIABHN COc1ccc(OC)c(CN2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1 ZINC000257299900 556717156 /nfs/dbraw/zinc/71/71/56/556717156.db2.gz RSCLDFDLRCDQEP-UHFFFAOYSA-N 0 3 445.563 4.076 40 0 IIABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000019236205 556720735 /nfs/dbraw/zinc/72/07/35/556720735.db2.gz TZFTVNCSJOVSCL-NLFFAJNJSA-N 0 3 430.552 4.177 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@H]3C2=O)c1 ZINC000013806741 556743185 /nfs/dbraw/zinc/74/31/85/556743185.db2.gz VFKCYELEJVTKDB-SGNDLWITSA-N 0 3 428.488 4.363 40 0 IIABHN O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019400286 556752899 /nfs/dbraw/zinc/75/28/99/556752899.db2.gz QQGMRGZBONHIIC-LSQMVHIFSA-N 0 3 433.502 4.490 40 0 IIABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001327627 556773153 /nfs/dbraw/zinc/77/31/53/556773153.db2.gz VHRZHEJPYJGVAU-UHFFFAOYSA-N 0 3 442.947 4.176 40 0 IIABHN CCOc1ccc(CN2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019533727 556793514 /nfs/dbraw/zinc/79/35/14/556793514.db2.gz AWUGXADCSKFDOY-INIZCTEOSA-N 0 3 434.462 4.453 40 0 IIABHN COc1ccc(OC)c2[nH]c(=O)c(CNc3ccc4nc(CN5CCCCC5)[nH]c4c3)cc12 ZINC000019552915 556796760 /nfs/dbraw/zinc/79/67/60/556796760.db2.gz AMSVCZAHNYDSFI-UHFFFAOYSA-N 0 3 447.539 4.020 40 0 IIABHN COc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c1OC1CCCC1 ZINC000019568170 556808218 /nfs/dbraw/zinc/80/82/18/556808218.db2.gz RTPKOERAPSICRB-WNCULLNHSA-N 0 3 449.595 4.440 40 0 IIABHN Cc1cc2cc(CN(CCN(C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2cc1C ZINC000006320701 556832751 /nfs/dbraw/zinc/83/27/51/556832751.db2.gz WCPZJYRKGGNHPW-IBGZPJMESA-N 0 3 436.625 4.144 40 0 IIABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 ZINC000019698723 556857833 /nfs/dbraw/zinc/85/78/33/556857833.db2.gz BYINLOHPNPNOOY-QGZVFWFLSA-N 0 3 448.567 4.394 40 0 IIABHN O=C(NCCCc1ccc(F)cc1)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752767 556896332 /nfs/dbraw/zinc/89/63/32/556896332.db2.gz ZHSBDNMKWRDOCD-QFIPXVFZSA-N 0 3 432.543 4.358 40 0 IIABHN CC(C)CNC(=O)c1cc([C@@H]2CCN(Cc3cccnc3N(C)C)C2)nc2ccccc21 ZINC000019761837 556905597 /nfs/dbraw/zinc/90/55/97/556905597.db2.gz DAFFFHJXRKHREF-LJQANCHMSA-N 0 3 431.584 4.071 40 0 IIABHN Cc1ncc(CN2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000072352332 556923865 /nfs/dbraw/zinc/92/38/65/556923865.db2.gz BJGLNXCBMIDYAH-INIZCTEOSA-N 0 3 427.595 4.128 40 0 IIABHN CN1CC[C@H](c2c3ccccc3sc2C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000072352570 556924459 /nfs/dbraw/zinc/92/44/59/556924459.db2.gz QUYKWECGYXBSHK-IBGZPJMESA-N 0 3 430.577 4.479 40 0 IIABHN COCc1ccc(OC)c(CN2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000072389768 556959813 /nfs/dbraw/zinc/95/98/13/556959813.db2.gz IMGHBSPUVOLNHC-MRXNPFEDSA-N 0 3 434.462 4.201 40 0 IIABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1n[nH]c2c1CCCC2 ZINC000072393386 556964357 /nfs/dbraw/zinc/96/43/57/556964357.db2.gz QIHCJIPVOSTYGD-UHFFFAOYSA-N 0 3 426.992 4.258 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000072398664 556970183 /nfs/dbraw/zinc/97/01/83/556970183.db2.gz XKQSCTLRMDHXOT-NVQXNPDNSA-N 0 3 444.579 4.485 40 0 IIABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000072398587 556970212 /nfs/dbraw/zinc/97/02/12/556970212.db2.gz ZJQDQLLDDBJSPI-AVRDEDQJSA-N 0 3 425.573 4.214 40 0 IIABHN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NC2CCN(C)CC2)CC1 ZINC000257290754 556999553 /nfs/dbraw/zinc/99/95/53/556999553.db2.gz QEEUTTDEIRXVJW-IYARVYRRSA-N 0 3 427.614 4.135 40 0 IIABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102737061 557131633 /nfs/dbraw/zinc/13/16/33/557131633.db2.gz OJTVJQQTIRDHQH-GBESFXJTSA-N 0 3 429.314 4.174 40 0 IIABHN Cc1nccn1CCCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585271508 557213332 /nfs/dbraw/zinc/21/33/32/557213332.db2.gz AILSDGDDCFMRTN-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585270394 557214313 /nfs/dbraw/zinc/21/43/13/557214313.db2.gz CHRLZKUZDUBACY-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929895 557274308 /nfs/dbraw/zinc/27/43/08/557274308.db2.gz KCUJPNVTTYCCAU-VWLOTQADSA-N 0 3 448.590 4.095 40 0 IIABHN COc1ccc(CCC(=O)N2CCN(Cc3ccccc3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072353549 557387138 /nfs/dbraw/zinc/38/71/38/557387138.db2.gz NBKJNVWBNRUFAV-VWLOTQADSA-N 0 3 443.591 4.226 40 0 IIABHN COc1ccc(CCC(=O)N2CCN(Cc3ccccc3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072353550 557387468 /nfs/dbraw/zinc/38/74/68/557387468.db2.gz NBKJNVWBNRUFAV-RUZDIDTESA-N 0 3 443.591 4.226 40 0 IIABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cc4cn5ccsc5n4)C3)c2)cc1 ZINC000257213976 568671747 /nfs/dbraw/zinc/67/17/47/568671747.db2.gz CJXLFUFERBBKJP-QGZVFWFLSA-N 0 3 447.564 4.410 40 0 IIABHN Cc1ccccc1CN1CC[C@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000257276961 568700680 /nfs/dbraw/zinc/70/06/80/568700680.db2.gz NVWYMRPNGYPJNC-QHCPKHFHSA-N 0 3 446.570 4.389 40 0 IIABHN CN1CCN(C(=O)c2ccccc2CN2CCCC2)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257277585 568700946 /nfs/dbraw/zinc/70/09/46/568700946.db2.gz NYOCRGHEZVABGV-QHCPKHFHSA-N 0 3 442.607 4.077 40 0 IIABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)N3CCC(F)(F)CC3)N[C@H]2c2cccc(F)c2)n1 ZINC000257336521 568727097 /nfs/dbraw/zinc/72/70/97/568727097.db2.gz YOVHLMFRSHXXJH-HOJAQTOUSA-N 0 3 434.506 4.222 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cn(C)c3ccccc23)C1 ZINC000019702575 569232259 /nfs/dbraw/zinc/23/22/59/569232259.db2.gz BQJZVJUGCSHFTP-KRWDZBQOSA-N 0 3 448.592 4.154 40 0 IIABHN CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(CCOc2ccccc2F)C1 ZINC000019739221 569236593 /nfs/dbraw/zinc/23/65/93/569236593.db2.gz QFZYONAYMCHQRD-RUZDIDTESA-N 0 3 443.563 4.263 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C1)CCC2 ZINC000019763141 569237897 /nfs/dbraw/zinc/23/78/97/569237897.db2.gz SAMZNSVFAOZLED-JOCHJYFZSA-N 0 3 448.611 4.288 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855651 569249267 /nfs/dbraw/zinc/24/92/67/569249267.db2.gz WHBQLHPYLZUFDU-AVRDEDQJSA-N 0 3 426.532 4.465 40 0 IIABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3OC)cc2)CC1 ZINC000010000104 132333583 /nfs/dbraw/zinc/33/35/83/132333583.db2.gz VJRRZHMQQPQTLH-NYYWCZLTSA-N 0 3 444.373 4.252 40 0 IIABHN CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN3CCN(c4ncccn4)CC3)C=C2C)o1 ZINC000035442706 521558294 /nfs/dbraw/zinc/55/82/94/521558294.db2.gz NWKLHQWDOMXUHM-FKBYEOEOSA-N 0 3 438.620 4.031 40 0 biogenic,in-vitro IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000012707770 521653621 /nfs/dbraw/zinc/65/36/21/521653621.db2.gz NCEJIGNVRHEXSQ-NRFANRHFSA-N 0 3 434.540 4.055 40 0 IIABHN COc1ccc(CN2CCC[C@H](c3onc4c3C[C@@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000036718934 524030305 /nfs/dbraw/zinc/03/03/05/524030305.db2.gz DZIGMEBTHRYYKN-FPOVZHCZSA-N 0 3 439.600 4.020 40 0 IIABHN COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855508 556671621 /nfs/dbraw/zinc/67/16/21/556671621.db2.gz AQNZQDWAZCGMJZ-XMSQKQJNSA-N 0 3 426.532 4.465 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(OCCCn4cccn4)cc3)CC2)c(C)c1 ZINC000257213840 556702622 /nfs/dbraw/zinc/70/26/22/556702622.db2.gz CJHIQLONPRMUAN-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1cc2c(cc1CN1CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC1)OCO2 ZINC000019125510 556703270 /nfs/dbraw/zinc/70/32/70/556703270.db2.gz LSVMXFDIPNNMIP-UHFFFAOYSA-N 0 3 447.457 4.071 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 ZINC000257313930 556703384 /nfs/dbraw/zinc/70/33/84/556703384.db2.gz UURXYEGYYYNFPS-JOCHJYFZSA-N 0 3 429.564 4.162 40 0 IIABHN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(CCOc3ccccc3F)CC1)N2 ZINC000019128991 556704098 /nfs/dbraw/zinc/70/40/98/556704098.db2.gz HLAKSLXCUACHJR-PKOBYXMFSA-N 0 3 426.458 4.409 40 0 IIABHN COc1ccc(C)cc1CN1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133424 556705031 /nfs/dbraw/zinc/70/50/31/556705031.db2.gz ACLNHLSHFOFFLO-FQEVSTJZSA-N 0 3 446.599 4.174 40 0 IIABHN CCN1CCC[C@@H]1CNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000257251365 556711713 /nfs/dbraw/zinc/71/17/13/556711713.db2.gz JQLKXSGUOPCWRT-HSZRJFAPSA-N 0 3 436.596 4.302 40 0 IIABHN Cc1cc(C)n(CCCOc2cccc(CN3CCC[C@](O)(COc4ccccc4)C3)c2)n1 ZINC000257274907 556714130 /nfs/dbraw/zinc/71/41/30/556714130.db2.gz NNDZAZIZGFRPHF-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(Cc2cnc(N)nc2)C1 ZINC000019448955 556759098 /nfs/dbraw/zinc/75/90/98/556759098.db2.gz UNHQNBJLJUQOEC-RUZDIDTESA-N 0 3 449.624 4.137 40 0 IIABHN COc1ccc(CN2CCC[C@H](c3onc4c3C[C@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000019497162 556769358 /nfs/dbraw/zinc/76/93/58/556769358.db2.gz DZIGMEBTHRYYKN-CTNGQTDRSA-N 0 3 439.600 4.020 40 0 IIABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524768 556782136 /nfs/dbraw/zinc/78/21/36/556782136.db2.gz ZRUNMDXZNHPDSO-BJKOFHAPSA-N 0 3 436.552 4.054 40 0 IIABHN CCCc1ccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)s1 ZINC000019525487 556782902 /nfs/dbraw/zinc/78/29/02/556782902.db2.gz NXQULBLNYLXAOX-UHFFFAOYSA-N 0 3 431.627 4.116 40 0 IIABHN COc1cccc(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c1OC1CCCC1 ZINC000019568167 556808188 /nfs/dbraw/zinc/80/81/88/556808188.db2.gz VWFJDFGIDFDFET-WXVAWEFUSA-N 0 3 449.595 4.440 40 0 IIABHN Cc1ccc(NCc2nnc(SCCN3CCCCC3)n2C[C@@H]2CCCO2)c(C)c1 ZINC000004092235 556819496 /nfs/dbraw/zinc/81/94/96/556819496.db2.gz RGUXFBZVCUBYKU-FQEVSTJZSA-N 0 3 429.634 4.264 40 0 IIABHN Cc1cc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C ZINC000004231217 556820500 /nfs/dbraw/zinc/82/05/00/556820500.db2.gz CSJMRBARPPAWBG-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3cccc(Cl)c3)cc12 ZINC000004231247 556820535 /nfs/dbraw/zinc/82/05/35/556820535.db2.gz BMQJXNHWEOAZIU-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592998 556829112 /nfs/dbraw/zinc/82/91/12/556829112.db2.gz DOBTWHIAGIMREV-RPLLCQBOSA-N 0 3 429.564 4.465 40 0 IIABHN COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592995 556829180 /nfs/dbraw/zinc/82/91/80/556829180.db2.gz DOBTWHIAGIMREV-SQHAQQRYSA-N 0 3 429.564 4.465 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582817 556842286 /nfs/dbraw/zinc/84/22/86/556842286.db2.gz ROJUKTZSZZWFME-NRFANRHFSA-N 0 3 448.567 4.364 40 0 IIABHN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2Cc2cn(CCCO)c3ccccc23)n1 ZINC000019690815 556846520 /nfs/dbraw/zinc/84/65/20/556846520.db2.gz CJSKBRZYVNJBOU-VWLOTQADSA-N 0 3 442.567 4.103 40 0 IIABHN COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000008971247 556852240 /nfs/dbraw/zinc/85/22/40/556852240.db2.gz PPNMCXKNCCYTNP-LYHRCORUSA-N 0 3 427.932 4.077 40 0 IIABHN COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCCC5)C4)nc32)c1 ZINC000019741446 556883699 /nfs/dbraw/zinc/88/36/99/556883699.db2.gz GRROJTYLIPJRPO-HXUWFJFHSA-N 0 3 434.584 4.395 40 0 IIABHN CN1CCC(Nc2n[nH]c3nc([C@H]4CCCN(C(=O)CC5CCCCC5)C4)ccc23)CC1 ZINC000019742918 556887141 /nfs/dbraw/zinc/88/71/41/556887141.db2.gz CLTSZRVXUUHTHN-IBGZPJMESA-N 0 3 438.620 4.140 40 0 IIABHN CNc1ncccc1CN1CCC(Cc2cc(NCc3cccc(OC)c3)nc(C)n2)CC1 ZINC000019758926 556902540 /nfs/dbraw/zinc/90/25/40/556902540.db2.gz TVAKVXFVLPHXBO-UHFFFAOYSA-N 0 3 446.599 4.297 40 0 IIABHN CN1CCC(C(=O)N2CCC(c3cncc(-c4cccc(C(F)(F)F)c4)n3)CC2)CC1 ZINC000072359852 556933172 /nfs/dbraw/zinc/93/31/72/556933172.db2.gz ROMSNUOUFAKDQP-UHFFFAOYSA-N 0 3 432.490 4.210 40 0 IIABHN CC(C)C(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCN(C)C ZINC000072370635 556935684 /nfs/dbraw/zinc/93/56/84/556935684.db2.gz KJIFLXDBMKOWQV-GOSISDBHSA-N 0 3 429.630 4.162 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@H](c3cc(CCOc4ccccc4F)[nH]n3)C1)CO2 ZINC000072371497 556939149 /nfs/dbraw/zinc/93/91/49/556939149.db2.gz BXCFZGCZCZXQMS-IBGZPJMESA-N 0 3 449.526 4.444 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@H](c3cc(CCOc4ccccc4F)n[nH]3)C1)CO2 ZINC000072371497 556939151 /nfs/dbraw/zinc/93/91/51/556939151.db2.gz BXCFZGCZCZXQMS-IBGZPJMESA-N 0 3 449.526 4.444 40 0 IIABHN Cc1c(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000072371463 556939293 /nfs/dbraw/zinc/93/92/93/556939293.db2.gz FRUJQFNJRFTBAA-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1c(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C ZINC000072371463 556939296 /nfs/dbraw/zinc/93/92/96/556939296.db2.gz FRUJQFNJRFTBAA-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN CCOc1ccc(CN2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1CO ZINC000072375050 556950321 /nfs/dbraw/zinc/95/03/21/556950321.db2.gz WNMAPWFQOCEXBU-HXUWFJFHSA-N 0 3 433.556 4.194 40 0 IIABHN CN(C)CCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)C1CCC1 ZINC000072380169 556957893 /nfs/dbraw/zinc/95/78/93/556957893.db2.gz CVWGSKCCKKCRTJ-LJQANCHMSA-N 0 3 441.641 4.307 40 0 IIABHN CCOC(=O)Cn1c(Cl)c(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)sc1=O ZINC000072389698 556959693 /nfs/dbraw/zinc/95/96/93/556959693.db2.gz YHFHJHLYYJIOKS-QGZVFWFLSA-N 0 3 434.989 4.286 40 0 IIABHN CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cnn(C)c2)CC1 ZINC000585166475 557128072 /nfs/dbraw/zinc/12/80/72/557128072.db2.gz VBSIBQOOUFLGJZ-UHFFFAOYSA-N 0 3 434.559 4.187 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000006197723 557149484 /nfs/dbraw/zinc/14/94/84/557149484.db2.gz KGHOWJSKRZNSRR-SFHVURJKSA-N 0 3 436.625 4.090 40 0 IIABHN COc1cccc(-c2ccc3cc(C(=O)N4CC[C@@H](N(C)C)C4)c(-c4cocn4)n3c2)c1 ZINC000096155540 557180122 /nfs/dbraw/zinc/18/01/22/557180122.db2.gz UWJVFRRHJRZAMW-HXUWFJFHSA-N 0 3 430.508 4.046 40 0 IIABHN O=C1CCC[C@]2(CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261695 557195823 /nfs/dbraw/zinc/19/58/23/557195823.db2.gz NGXILZHXEMZJKS-WIOPSUGQSA-N 0 3 432.499 4.046 40 0 IIABHN COc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)c1 ZINC000219236532 557232456 /nfs/dbraw/zinc/23/24/56/557232456.db2.gz YQKOCMIAWLBCKK-UHFFFAOYSA-N 0 3 434.540 4.249 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000100642050 557267162 /nfs/dbraw/zinc/26/71/62/557267162.db2.gz ZAYSVDYPHSILKN-ZCNNSNEGSA-N 0 3 440.908 4.461 40 0 IIABHN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601609 557359681 /nfs/dbraw/zinc/35/96/81/557359681.db2.gz LVBRYGDRIFYLAV-GOSISDBHSA-N 0 3 442.922 4.400 40 0 IIABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998270 557402961 /nfs/dbraw/zinc/40/29/61/557402961.db2.gz GDGZINJWZUMYRA-SFTDATJTSA-N 0 3 446.385 4.450 40 0 IIABHN O=C(Cc1ccccc1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014271796 557431035 /nfs/dbraw/zinc/43/10/35/557431035.db2.gz FGKADNITUJYPQE-UHFFFAOYSA-N 0 3 444.604 4.065 40 0 IIABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259797 557452067 /nfs/dbraw/zinc/45/20/67/557452067.db2.gz UDTVWTLFUASAKS-LEWJYISDSA-N 0 3 425.989 4.060 40 0 IIABHN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223284160 557455514 /nfs/dbraw/zinc/45/55/14/557455514.db2.gz VDWYZRIQFQOKPM-PKTZIBPZSA-N 0 3 436.581 4.274 40 0 IIABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccc2c(c1)OCO2 ZINC000224004089 557542410 /nfs/dbraw/zinc/54/24/10/557542410.db2.gz FXQRKMYAAHNTRC-XZOQPEGZSA-N 0 3 441.516 4.173 40 0 IIABHN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 ZINC000224523006 557616238 /nfs/dbraw/zinc/61/62/38/557616238.db2.gz POGNZQSENPDLBH-XZOQPEGZSA-N 0 3 427.533 4.453 40 0 IIABHN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000224558166 557623157 /nfs/dbraw/zinc/62/31/57/557623157.db2.gz KORPZQHNZNBUHJ-PKTZIBPZSA-N 0 3 427.533 4.453 40 0 IIABHN O=C(c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1)N1CCCCC1 ZINC000225744172 557772028 /nfs/dbraw/zinc/77/20/28/557772028.db2.gz YWNKYDWYVWWDQR-UHFFFAOYSA-N 0 3 436.625 4.048 40 0 IIABHN COc1cc(CN(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000225903770 557790048 /nfs/dbraw/zinc/79/00/48/557790048.db2.gz GDKHAYXRDCCTHU-IBGZPJMESA-N 0 3 446.975 4.236 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270585 568617238 /nfs/dbraw/zinc/61/72/38/568617238.db2.gz MTDMNJXWCWMNSR-MHZLTWQESA-N 0 3 449.595 4.412 40 0 IIABHN COc1ccccc1-c1cccc(CN2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257228151 568678217 /nfs/dbraw/zinc/67/82/17/568678217.db2.gz FSOCIMKXMRZDKX-OAQYLSRUSA-N 0 3 428.536 4.096 40 0 IIABHN Cc1nc([C@H]2CCN(CCc3ccccc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257231879 568679729 /nfs/dbraw/zinc/67/97/29/568679729.db2.gz GINRNJRBKNYHLY-QFIPXVFZSA-N 0 3 444.554 4.436 40 0 IIABHN COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H](C)CN3CCCC3)CCOCC2)c1 ZINC000257242027 568684640 /nfs/dbraw/zinc/68/46/40/568684640.db2.gz IASSMHWLQLETSP-NRFANRHFSA-N 0 3 436.596 4.302 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257260221 568693261 /nfs/dbraw/zinc/69/32/61/568693261.db2.gz LBVYNMAYTKSSIH-INIZCTEOSA-N 0 3 445.489 4.458 40 0 IIABHN CCOc1ccc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)cc1CO ZINC000257267381 568696516 /nfs/dbraw/zinc/69/65/16/568696516.db2.gz MHBFWTSGUNEMOL-GOSISDBHSA-N 0 3 438.593 4.484 40 0 IIABHN Cc1nc2cc([C@@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293005 568708207 /nfs/dbraw/zinc/70/82/07/568708207.db2.gz QNTZVGKVUYRKCU-URXFXBBRSA-N 0 3 435.616 4.298 40 0 IIABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)c2)cc1 ZINC000257340399 568728645 /nfs/dbraw/zinc/72/86/45/568728645.db2.gz ZFWGDNVEULPXBD-SFHVURJKSA-N 0 3 442.523 4.205 40 0 IIABHN Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000329046104 568810373 /nfs/dbraw/zinc/81/03/73/568810373.db2.gz UAADSZAUHIJKGM-UHFFFAOYSA-N 0 3 440.389 4.084 40 0 IIABHN CCN1CCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 ZINC000216839659 568862671 /nfs/dbraw/zinc/86/26/71/568862671.db2.gz DHUAPKKRAQDDOI-UHFFFAOYSA-N 0 3 447.320 4.237 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000019702129 569231763 /nfs/dbraw/zinc/23/17/63/569231763.db2.gz WQEHPWCRDYPHRW-GOSISDBHSA-N 0 3 446.576 4.210 40 0 IIABHN CNc1cc(CC2CCN(Cc3ccc(OC)c(Cc4c(C)n[nH]c4C)c3)CC2)nc(C)n1 ZINC000019758932 569237470 /nfs/dbraw/zinc/23/74/70/569237470.db2.gz YTSXPWAPJVAWKI-UHFFFAOYSA-N 0 3 448.615 4.221 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000009307831 569295225 /nfs/dbraw/zinc/29/52/25/569295225.db2.gz ZPTSNQBCAKAQMC-ZRBLBEILSA-N 0 3 432.451 4.276 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000009428376 569296375 /nfs/dbraw/zinc/29/63/75/569296375.db2.gz UNADECRQZGYGGY-VXNXHJTFSA-N 0 3 444.487 4.014 40 0 IIABHN COc1ccc(CN2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)c(OC)c1 ZINC000019713871 569327746 /nfs/dbraw/zinc/32/77/46/569327746.db2.gz MKURFLDEJZABHJ-WTIAFYNJSA-N 0 3 426.532 4.087 40 0 IIABHN COCCOc1cccc(CN2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)c1 ZINC000019713899 569327753 /nfs/dbraw/zinc/32/77/53/569327753.db2.gz XRBBSIWXBGLJKS-IEZKXTBUSA-N 0 3 440.559 4.095 40 0 IIABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100799114 556591245 /nfs/dbraw/zinc/59/12/45/556591245.db2.gz IUBITZYLXRRGMJ-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000100984733 556634097 /nfs/dbraw/zinc/63/40/97/556634097.db2.gz UNADECRQZGYGGY-HJOGWXRNSA-N 0 3 444.487 4.014 40 0 IIABHN Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@H](O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000019125184 556702888 /nfs/dbraw/zinc/70/28/88/556702888.db2.gz GGFNRKNOTBEMNR-DEOSSOPVSA-N 0 3 432.564 4.404 40 0 IIABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000257214464 556703025 /nfs/dbraw/zinc/70/30/25/556703025.db2.gz CMCNUZPGJTZYLC-NRFANRHFSA-N 0 3 440.540 4.141 40 0 IIABHN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)cc1 ZINC000019135279 556705773 /nfs/dbraw/zinc/70/57/73/556705773.db2.gz PDOUARSCKROCAJ-HSZRJFAPSA-N 0 3 434.584 4.406 40 0 IIABHN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)cc1 ZINC000019135279 556705775 /nfs/dbraw/zinc/70/57/75/556705775.db2.gz PDOUARSCKROCAJ-HSZRJFAPSA-N 0 3 434.584 4.406 40 0 IIABHN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)cc1 ZINC000019135279 556705776 /nfs/dbraw/zinc/70/57/76/556705776.db2.gz PDOUARSCKROCAJ-HSZRJFAPSA-N 0 3 434.584 4.406 40 0 IIABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257246100 556711039 /nfs/dbraw/zinc/71/10/39/556711039.db2.gz ISMRDVWGOLDBSU-HHHXNRCGSA-N 0 3 447.554 4.422 40 0 IIABHN CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2cnn(C)c2)CC1 ZINC000257292663 556716395 /nfs/dbraw/zinc/71/63/95/556716395.db2.gz QMMKZGNXGBUEMY-UHFFFAOYSA-N 0 3 430.596 4.438 40 0 IIABHN COc1c(C)cccc1CN1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235965 556720449 /nfs/dbraw/zinc/72/04/49/556720449.db2.gz DEOLHNUHWQAPSQ-FQEVSTJZSA-N 0 3 446.599 4.174 40 0 IIABHN Cc1cccc([C@@H]2CN(Cc3cccc(Oc4ncccn4)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236387 556721161 /nfs/dbraw/zinc/72/11/61/556721161.db2.gz UDALEUACACBGQB-BKMJKUGQSA-N 0 3 443.551 4.001 40 0 IIABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cccc(OCc3ccc(F)cc3)c1)C2 ZINC000019291400 556731464 /nfs/dbraw/zinc/73/14/64/556731464.db2.gz CPTXMUBWVOBOOK-KMXBQNHCSA-N 0 3 435.543 4.258 40 0 IIABHN O=C(N[C@H](C[C@@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400900 556753470 /nfs/dbraw/zinc/75/34/70/556753470.db2.gz VQJVJDVXNVGRDF-JTHBVZDNSA-N 0 3 435.568 4.255 40 0 IIABHN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2)C1 ZINC000019448945 556758983 /nfs/dbraw/zinc/75/89/83/556758983.db2.gz CPMWWRPCKVZWEL-MHZLTWQESA-N 0 3 428.580 4.493 40 0 IIABHN CCCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019501288 556772962 /nfs/dbraw/zinc/77/29/62/556772962.db2.gz QEKXAHKJVUPOPD-OAQYLSRUSA-N 0 3 428.621 4.448 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001353337 556781422 /nfs/dbraw/zinc/78/14/22/556781422.db2.gz OWEGFGSWWQMUBW-JOCHJYFZSA-N 0 3 436.531 4.494 40 0 IIABHN CCN1CCN(Cc2cccc(OC)c2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527757 556787432 /nfs/dbraw/zinc/78/74/32/556787432.db2.gz MMHXYBAXDHILFD-DEOSSOPVSA-N 0 3 429.564 4.280 40 0 IIABHN CCOc1ccc(CN2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019533725 556793640 /nfs/dbraw/zinc/79/36/40/556793640.db2.gz AWUGXADCSKFDOY-MRXNPFEDSA-N 0 3 434.462 4.453 40 0 IIABHN COc1cccc(CN2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c1OC ZINC000019567566 556807514 /nfs/dbraw/zinc/80/75/14/556807514.db2.gz IELRAGLQGLDTAN-MHZLTWQESA-N 0 3 430.548 4.291 40 0 IIABHN COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1OC ZINC000019568022 556808074 /nfs/dbraw/zinc/80/80/74/556808074.db2.gz SBBIBAIQAKMUHE-FKBYEOEOSA-N 0 3 440.609 4.382 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@@H]2O ZINC000019581418 556819229 /nfs/dbraw/zinc/81/92/29/556819229.db2.gz QHSHNXYKSRBEAX-FCHUYYIVSA-N 0 3 440.515 4.008 40 0 IIABHN COc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000019584439 556821841 /nfs/dbraw/zinc/82/18/41/556821841.db2.gz CENZSVRTAAVGLL-IBGZPJMESA-N 0 3 433.556 4.001 40 0 IIABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019591340 556826404 /nfs/dbraw/zinc/82/64/04/556826404.db2.gz TYYBXKZPJHLAOT-HHHXNRCGSA-N 0 3 429.564 4.328 40 0 IIABHN Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000008582814 556842416 /nfs/dbraw/zinc/84/24/16/556842416.db2.gz QPIMCMAFCQHBOH-UHFFFAOYSA-N 0 3 436.531 4.414 40 0 aggregator IIABHN O=C(NC1CCCC1)c1cncnc1CC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000019757024 556901087 /nfs/dbraw/zinc/90/10/87/556901087.db2.gz GQWYKVOVTVXZPB-UHFFFAOYSA-N 0 3 429.568 4.152 40 0 IIABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000072330467 556905882 /nfs/dbraw/zinc/90/58/82/556905882.db2.gz OWNMDAOWONQVCU-KCWPFWIISA-N 0 3 429.564 4.402 40 0 IIABHN CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccncc2)CC1 ZINC000072345041 556916605 /nfs/dbraw/zinc/91/66/05/556916605.db2.gz YJUBQVRAHSBJTL-UHFFFAOYSA-N 0 3 428.580 4.495 40 0 IIABHN Cc1ccc(CN2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)cc1 ZINC000072369598 556933486 /nfs/dbraw/zinc/93/34/86/556933486.db2.gz KHEFDUBJQUGLIL-JOCHJYFZSA-N 0 3 447.627 4.491 40 0 IIABHN O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccccc1F ZINC000072370525 556935277 /nfs/dbraw/zinc/93/52/77/556935277.db2.gz JWNHNGIAVMAUMD-GOSISDBHSA-N 0 3 426.557 4.360 40 0 IIABHN Cc1cccc(CN2CCC(c3nc(C)c4c(n3)N(Cc3ccccn3)C(=O)CC4)CC2)c1 ZINC000072371143 556937569 /nfs/dbraw/zinc/93/75/69/556937569.db2.gz YJXBYPMSGGUVCF-UHFFFAOYSA-N 0 3 441.579 4.347 40 0 IIABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000072372489 556942778 /nfs/dbraw/zinc/94/27/78/556942778.db2.gz OIRZLQYYVNUAAU-HSZRJFAPSA-N 0 3 428.540 4.040 40 0 IIABHN CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cccnc1 ZINC000072380065 556957278 /nfs/dbraw/zinc/95/72/78/556957278.db2.gz YBCONFGIYLFRGP-FQEVSTJZSA-N 0 3 437.609 4.348 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000072398665 556970765 /nfs/dbraw/zinc/97/07/65/556970765.db2.gz XKQSCTLRMDHXOT-GJZUVCINSA-N 0 3 444.579 4.485 40 0 IIABHN COc1ccccc1[C@@H]1CN(Cc2ccccc2N2CCCC2)C[C@]12CCCCC(=O)N2 ZINC000585261678 557195363 /nfs/dbraw/zinc/19/53/63/557195363.db2.gz DFHOVLGMHGOUDY-WNCULLNHSA-N 0 3 433.596 4.324 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585273338 557215444 /nfs/dbraw/zinc/21/54/44/557215444.db2.gz ZVZBFWGPFZXTEM-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN CCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344800 557376993 /nfs/dbraw/zinc/37/69/93/557376993.db2.gz PZRBWIMCHHQYLV-JOCHJYFZSA-N 0 3 432.568 4.460 40 0 IIABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000100726605 557455135 /nfs/dbraw/zinc/45/51/35/557455135.db2.gz KHWAVBYANPTJJF-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000136132215 557459508 /nfs/dbraw/zinc/45/95/08/557459508.db2.gz IUBITZYLXRRGMJ-FDFHNCONSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000137880479 557459857 /nfs/dbraw/zinc/45/98/57/557459857.db2.gz OJWSVBCPLATMAB-FDFHNCONSA-N 0 3 434.879 4.400 40 0 IIABHN O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224829029 557656194 /nfs/dbraw/zinc/65/61/94/557656194.db2.gz GZDIUKZXMRBLTO-UHFFFAOYSA-N 0 3 437.403 4.055 40 0 IIABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccc(Br)cn3)c2c1 ZINC000225224590 557702280 /nfs/dbraw/zinc/70/22/80/557702280.db2.gz LTAQOKAMWLDXGR-UHFFFAOYSA-N 0 3 430.375 4.408 40 0 IIABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccccc2)C1 ZINC000006137747 560205368 /nfs/dbraw/zinc/20/53/68/560205368.db2.gz IXCZXEVOTBBOIR-PZJWPPBQSA-N 0 3 442.563 4.228 40 0 biogenic,in-vitro IIABHN COCCOc1cc(CN2CCC[C@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585270521 568616640 /nfs/dbraw/zinc/61/66/40/568616640.db2.gz LOWYWAWYXIQXJM-AREMUKBSSA-N 0 3 443.584 4.133 40 0 IIABHN Cc1cnn(CCCOc2cccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585271080 568617763 /nfs/dbraw/zinc/61/77/63/568617763.db2.gz IXFXBIDQVJEXFX-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3cc(C)c(OC)cc3C)C2)nc1C ZINC000257202378 568666380 /nfs/dbraw/zinc/66/63/80/568666380.db2.gz ALMUEOPXWSAQEF-NRFANRHFSA-N 0 3 438.616 4.119 40 0 IIABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cc4cn5ccsc5n4)C3)c2)cc1 ZINC000257213975 568671586 /nfs/dbraw/zinc/67/15/86/568671586.db2.gz CJXLFUFERBBKJP-KRWDZBQOSA-N 0 3 447.564 4.410 40 0 IIABHN CN(CCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257256780 568691800 /nfs/dbraw/zinc/69/18/00/568691800.db2.gz KMWIFWADHMTZMB-QFIPXVFZSA-N 0 3 435.959 4.378 40 0 IIABHN CC[C@@H](C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1)N1CCCC1 ZINC000257277524 568701187 /nfs/dbraw/zinc/70/11/87/568701187.db2.gz NYHCASIVUDHSIC-QFIPXVFZSA-N 0 3 425.552 4.248 40 0 IIABHN CCOc1ccc(CN2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1CO ZINC000257313114 568716803 /nfs/dbraw/zinc/71/68/03/568716803.db2.gz URCLXCSCRUNKKY-UHFFFAOYSA-N 0 3 433.556 4.194 40 0 IIABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)c2)cc1 ZINC000257340398 568728777 /nfs/dbraw/zinc/72/87/77/568728777.db2.gz ZFWGDNVEULPXBD-GOSISDBHSA-N 0 3 442.523 4.205 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3Cl)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127774 568764985 /nfs/dbraw/zinc/76/49/85/568764985.db2.gz GHJFXWXSYPYRLI-YKSBVNFPSA-N 0 3 426.992 4.346 40 0 IIABHN O=C1N(Cc2cccnc2)CC[C@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306133073 568767573 /nfs/dbraw/zinc/76/75/73/568767573.db2.gz MAWXXDZJNFFLJW-UKILVPOCSA-N 0 3 432.955 4.148 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3ccc(Cl)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306141732 568772382 /nfs/dbraw/zinc/77/23/82/568772382.db2.gz WEXXIWRMGLSNOW-QPPBQGQZSA-N 0 3 426.992 4.346 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000019702213 569231798 /nfs/dbraw/zinc/23/17/98/569231798.db2.gz GNSKIVMUFUBSNR-SFHVURJKSA-N 0 3 446.576 4.210 40 0 IIABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702482 569232045 /nfs/dbraw/zinc/23/20/45/569232045.db2.gz AESNCQVLWYCPNK-INIZCTEOSA-N 0 3 449.555 4.326 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cn(C)c3ccccc23)C1 ZINC000019702573 569232181 /nfs/dbraw/zinc/23/21/81/569232181.db2.gz BQJZVJUGCSHFTP-QGZVFWFLSA-N 0 3 448.592 4.154 40 0 IIABHN Cc1ccccc1CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000019687709 569326367 /nfs/dbraw/zinc/32/63/67/569326367.db2.gz QCTXDOPSIFMXST-HSZRJFAPSA-N 0 3 429.568 4.344 40 0 IIABHN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4ccccc4C)C3)nc2C)c1 ZINC000019757935 569328730 /nfs/dbraw/zinc/32/87/30/569328730.db2.gz WDPRPGVCIFNJPJ-JOCHJYFZSA-N 0 3 430.552 4.022 40 0 IIABHN Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)N[C@H](C(=O)NCc2ccco2)C3)no1 ZINC000049171910 291384969 /nfs/dbraw/zinc/38/49/69/291384969.db2.gz XKZQLKLENWYODG-GOTSBHOMSA-N 0 3 446.551 4.497 40 0 biogenic,in-vitro IIABHN CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccccc1F ZINC000022074104 520711531 /nfs/dbraw/zinc/71/15/31/520711531.db2.gz PVQYOHIDFJGVSB-UHFFFAOYSA-N 0 3 436.955 4.269 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(OC)cc1 ZINC000012711750 521633696 /nfs/dbraw/zinc/63/36/96/521633696.db2.gz BYZLHDXGZGEVNA-JOCHJYFZSA-N 0 3 448.567 4.364 40 0 IIABHN COc1cccc(CN2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)CC2)c1OC ZINC000012160283 525934060 /nfs/dbraw/zinc/93/40/60/525934060.db2.gz OITQNZNABLLRRO-UHFFFAOYSA-N 0 3 434.462 4.453 40 0 IIABHN O=C(CN1CCC2(C1)CCCCC2)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182881 526732785 /nfs/dbraw/zinc/73/27/85/526732785.db2.gz DENZFSWQSZLHIF-VQTJNVASSA-N 0 3 428.577 4.043 40 0 IIABHN O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503379 527485754 /nfs/dbraw/zinc/48/57/54/527485754.db2.gz SNMCMQVNPFHGBA-PGRDOPGGSA-N 0 3 426.516 4.373 40 0 biogenic,in-vitro IIABHN CCN(CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1cccnc1 ZINC000006511533 556092488 /nfs/dbraw/zinc/09/24/88/556092488.db2.gz GWJSRLJCLYQCGN-UHFFFAOYSA-N 0 3 442.648 4.360 40 0 IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000032125379 556534931 /nfs/dbraw/zinc/53/49/31/556534931.db2.gz FGMYXVSCAOQFAJ-UHFFFAOYSA-N 0 3 437.396 4.262 40 0 IIABHN COc1ccc(CCN(C)C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000015890197 556561568 /nfs/dbraw/zinc/56/15/68/556561568.db2.gz CLZGAJRSBRUMBT-FQEVSTJZSA-N 0 3 430.976 4.270 40 0 IIABHN COCCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)n2c3ccccc3nc21 ZINC000039963985 556630745 /nfs/dbraw/zinc/63/07/45/556630745.db2.gz VUSAVEUKBVFIIO-SFHVURJKSA-N 0 3 446.429 4.008 40 0 IIABHN COc1cccc(NC(=O)CC2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)c1 ZINC000039963999 556631085 /nfs/dbraw/zinc/63/10/85/556631085.db2.gz IHADKDGSFVQAMW-QHCPKHFHSA-N 0 3 440.503 4.470 40 0 IIABHN COc1ccc(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1Cl ZINC000044871506 556673158 /nfs/dbraw/zinc/67/31/58/556673158.db2.gz PZVOQMUHNJXYNS-UHFFFAOYSA-N 0 3 429.369 4.076 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000019081889 556696814 /nfs/dbraw/zinc/69/68/14/556696814.db2.gz BWUHHFMUGQHLPG-WMZHIEFXSA-N 0 3 425.573 4.214 40 0 IIABHN COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCN3CCCCC3)CCCO2)cc1 ZINC000257325637 556704776 /nfs/dbraw/zinc/70/47/76/556704776.db2.gz WTTXPMIFTBPNJB-SANMLTNESA-N 0 3 440.559 4.195 40 0 IIABHN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](CC2CCCCC2)C3)cc1 ZINC000019135282 556705710 /nfs/dbraw/zinc/70/57/10/556705710.db2.gz PDOUARSCKROCAJ-QHCPKHFHSA-N 0 3 434.584 4.406 40 0 IIABHN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](CC2CCCCC2)C3)cc1 ZINC000019135282 556705711 /nfs/dbraw/zinc/70/57/11/556705711.db2.gz PDOUARSCKROCAJ-QHCPKHFHSA-N 0 3 434.584 4.406 40 0 IIABHN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)cc1 ZINC000019135282 556705712 /nfs/dbraw/zinc/70/57/12/556705712.db2.gz PDOUARSCKROCAJ-QHCPKHFHSA-N 0 3 434.584 4.406 40 0 IIABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)c(C)c1 ZINC000013648244 556707066 /nfs/dbraw/zinc/70/70/66/556707066.db2.gz QDYNHOKMRBDKAV-NHTMILBNSA-N 0 3 428.488 4.369 40 0 IIABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c2ccccc12 ZINC000257220267 556707492 /nfs/dbraw/zinc/70/74/92/556707492.db2.gz DKFIHUSZDSFLKV-JOCHJYFZSA-N 0 3 432.568 4.064 40 0 IIABHN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccc(OC)c(OC)c2)cc1 ZINC000257228217 556708523 /nfs/dbraw/zinc/70/85/23/556708523.db2.gz FSWIXYAZTSGBKP-PKTZIBPZSA-N 0 3 438.568 4.258 40 0 IIABHN Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000019216371 556711919 /nfs/dbraw/zinc/71/19/19/556711919.db2.gz BAPYSICWELXKOR-FCHUYYIVSA-N 0 3 441.535 4.062 40 0 IIABHN Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000019216371 556711922 /nfs/dbraw/zinc/71/19/22/556711922.db2.gz BAPYSICWELXKOR-FCHUYYIVSA-N 0 3 441.535 4.062 40 0 IIABHN Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000019216374 556712191 /nfs/dbraw/zinc/71/21/91/556712191.db2.gz BAPYSICWELXKOR-VXKWHMMOSA-N 0 3 441.535 4.062 40 0 IIABHN Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000019216374 556712193 /nfs/dbraw/zinc/71/21/93/556712193.db2.gz BAPYSICWELXKOR-VXKWHMMOSA-N 0 3 441.535 4.062 40 0 IIABHN COc1ccccc1-c1ccccc1CN1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257260486 556712379 /nfs/dbraw/zinc/71/23/79/556712379.db2.gz LDBQLRGGLIAKRI-FQEVSTJZSA-N 0 3 428.536 4.096 40 0 IIABHN COCCOc1ccc(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)cc1 ZINC000019217358 556712780 /nfs/dbraw/zinc/71/27/80/556712780.db2.gz JGVBSQHTDXLDEA-FYYLOGMGSA-N 0 3 428.598 4.314 40 0 IIABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346075 556742879 /nfs/dbraw/zinc/74/28/79/556742879.db2.gz JZQHDJOZFKUMQA-LEWJYISDSA-N 0 3 430.907 4.345 40 0 IIABHN CCc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(CC)ccc3[nH]c2=O)cc1 ZINC000000920140 556749294 /nfs/dbraw/zinc/74/92/94/556749294.db2.gz DKIJCEJGQXFQFF-UHFFFAOYSA-N 0 3 436.625 4.414 40 0 IIABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@@]32C)cc1 ZINC000001424750 556756423 /nfs/dbraw/zinc/75/64/23/556756423.db2.gz NMDGAVCPYORKSW-TZBSWOFLSA-N 0 3 432.451 4.276 40 0 IIABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[n-]c2=O)C1 ZINC000019448391 556758028 /nfs/dbraw/zinc/75/80/28/556758028.db2.gz JZUUDJGJNSRILY-JOCHJYFZSA-N 0 3 434.584 4.124 40 0 IIABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)C3(c4ccccc4)CCCC3)[n-]c2=O)C1 ZINC000019448391 556758029 /nfs/dbraw/zinc/75/80/29/556758029.db2.gz JZUUDJGJNSRILY-JOCHJYFZSA-N 0 3 434.584 4.124 40 0 IIABHN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H](C)N4CCCCC4)C3)cc2n1 ZINC000019452376 556763440 /nfs/dbraw/zinc/76/34/40/556763440.db2.gz NYFITACOMNLAHY-HZPDHXFCSA-N 0 3 437.510 4.062 40 0 IIABHN CCc1ncc(CN2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523366 556780650 /nfs/dbraw/zinc/78/06/50/556780650.db2.gz XRXXCJCQKVNGMQ-HHHXNRCGSA-N 0 3 443.595 4.014 40 0 IIABHN CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019529188 556790491 /nfs/dbraw/zinc/79/04/91/556790491.db2.gz AZKMUCDFPQCGHE-HHHXNRCGSA-N 0 3 443.595 4.233 40 0 IIABHN COc1cccc(CN2CC=CC[C@@]3(C(=O)NCc4ccc(F)cc4)CCC[C@@H]23)c1OC ZINC000019567563 556807631 /nfs/dbraw/zinc/80/76/31/556807631.db2.gz GXESZFCZVDZEOJ-ZEQKJWHPSA-N 0 3 438.543 4.460 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@H]2O ZINC000019581427 556819627 /nfs/dbraw/zinc/81/96/27/556819627.db2.gz QHSHNXYKSRBEAX-YADHBBJMSA-N 0 3 440.515 4.008 40 0 IIABHN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000072353753 556928018 /nfs/dbraw/zinc/92/80/18/556928018.db2.gz VSYGHIGIEDRKRO-KRWDZBQOSA-N 0 3 430.531 4.440 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@H](c3cc(Nc4cnccn4)cc(C)n3)C1)OCCO2 ZINC000072375042 556950499 /nfs/dbraw/zinc/95/04/99/556950499.db2.gz GHRXTEDMFVGWIR-SFHVURJKSA-N 0 3 447.539 4.083 40 0 IIABHN CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccncc1 ZINC000072380044 556957268 /nfs/dbraw/zinc/95/72/68/556957268.db2.gz YPTGQLNHZIVRTI-HXUWFJFHSA-N 0 3 437.609 4.348 40 0 IIABHN CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccccn1 ZINC000072380081 556957643 /nfs/dbraw/zinc/95/76/43/556957643.db2.gz OSOQZKJPDYZEHP-FQEVSTJZSA-N 0 3 437.609 4.348 40 0 IIABHN O=C(c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12)N1CCN(c2ccncc2)CC1 ZINC000096154772 557178766 /nfs/dbraw/zinc/17/87/66/557178766.db2.gz WAEXDTRYEYKUPX-UHFFFAOYSA-N 0 3 448.530 4.149 40 0 IIABHN c1[nH]nc2cccc(C[C@@H]3COCCN(Cc4cccc(OCc5ccccn5)c4)C3)c12 ZINC000585261950 557197912 /nfs/dbraw/zinc/19/79/12/557197912.db2.gz KKWQRKTZRAJPJH-NRFANRHFSA-N 0 3 428.536 4.228 40 0 IIABHN OC1(COc2cccc(Cl)c2)CCN(Cc2cccc(OCCn3cccn3)c2)CC1 ZINC000585272023 557216727 /nfs/dbraw/zinc/21/67/27/557216727.db2.gz DYVLOWDGHAUFFO-UHFFFAOYSA-N 0 3 441.959 4.021 40 0 IIABHN COc1ccc(CN[C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1OC ZINC000100744456 557275333 /nfs/dbraw/zinc/27/53/33/557275333.db2.gz OZRDUWWJEXUBPZ-XMMPIXPASA-N 0 3 433.512 4.001 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102736567 557306800 /nfs/dbraw/zinc/30/68/00/557306800.db2.gz MYCSDMQSSHIWLC-BJLQDIEVSA-N 0 3 440.286 4.440 40 0 IIABHN COc1ccc(C)cc1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344830 557377008 /nfs/dbraw/zinc/37/70/08/557377008.db2.gz RSSFOWICYQFPOD-OAQYLSRUSA-N 0 3 432.568 4.379 40 0 IIABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998264 557402833 /nfs/dbraw/zinc/40/28/33/557402833.db2.gz GDGZINJWZUMYRA-RTWAWAEBSA-N 0 3 446.385 4.450 40 0 IIABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257885 557451810 /nfs/dbraw/zinc/45/18/10/557451810.db2.gz OJLAHLYDDXYKAO-NHCUHLMSSA-N 0 3 448.621 4.016 40 0 IIABHN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223284283 557455821 /nfs/dbraw/zinc/45/58/21/557455821.db2.gz VDWYZRIQFQOKPM-GOTSBHOMSA-N 0 3 436.581 4.274 40 0 IIABHN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 ZINC000224523054 557616247 /nfs/dbraw/zinc/61/62/47/557616247.db2.gz POGNZQSENPDLBH-DHIUTWEWSA-N 0 3 427.533 4.453 40 0 IIABHN CC(C)NC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440531 557723035 /nfs/dbraw/zinc/72/30/35/557723035.db2.gz FGQYRIXJOWQTMA-UHFFFAOYSA-N 0 3 428.580 4.319 40 0 IIABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(OC(F)(F)F)cc2)C3)cc1 ZINC000096269282 560054285 /nfs/dbraw/zinc/05/42/85/560054285.db2.gz GHPAPFQALHNADU-IBGZPJMESA-N 0 3 433.430 4.146 40 0 biogenic,in-vitro IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585270052 568616798 /nfs/dbraw/zinc/61/67/98/568616798.db2.gz BHMSJIZUSCKDGG-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270631 568617268 /nfs/dbraw/zinc/61/72/68/568617268.db2.gz NUCQVGQLSRGUEJ-UHFFFAOYSA-N 0 3 435.568 4.022 40 0 IIABHN Cc1ccn(CCOc2ccc(CN3CCC[C@](O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000585272952 568618190 /nfs/dbraw/zinc/61/81/90/568618190.db2.gz LQNIOAAKYYYPDL-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN COc1cc(C)ccc1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C)[C@@H]2Cc1ccccc1 ZINC000257218290 568673458 /nfs/dbraw/zinc/67/34/58/568673458.db2.gz DCODMOXFCAEXJX-IITZRFRKSA-N 0 3 448.607 4.467 40 0 IIABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CCn4ccccc4=O)C3)c2)cc1 ZINC000257219792 568674482 /nfs/dbraw/zinc/67/44/82/568674482.db2.gz DIDVJDNBWREBEO-HXUWFJFHSA-N 0 3 446.551 4.100 40 0 IIABHN Fc1ccccc1CN1CCC(c2cc(N3CCCCC3)nc(-c3cnccn3)n2)CC1 ZINC000257231795 568679624 /nfs/dbraw/zinc/67/96/24/568679624.db2.gz GIGNBAJDABZJDM-UHFFFAOYSA-N 0 3 432.547 4.443 40 0 IIABHN CC(C)(CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)N1CCCCC1 ZINC000257250304 568688626 /nfs/dbraw/zinc/68/86/26/568688626.db2.gz JLZIOFOVMSXMQJ-UHFFFAOYSA-N 0 3 435.612 4.469 40 0 IIABHN Cc1cc(Nc2nccs2)cc([C@@H]2CCCN(Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000257285395 568704530 /nfs/dbraw/zinc/70/45/30/568704530.db2.gz PGWPNFPVADNRNI-GOSISDBHSA-N 0 3 448.596 4.160 40 0 IIABHN COCC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3F)C[C@@H]2c2ccccc2)CC1 ZINC000257315558 568717937 /nfs/dbraw/zinc/71/79/37/568717937.db2.gz VBXNGXPNAAQKQX-OAQYLSRUSA-N 0 3 430.951 4.334 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CC[C@@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 ZINC000257344988 568730872 /nfs/dbraw/zinc/73/08/72/568730872.db2.gz ZZMDWIBYUGOQPJ-XMMPIXPASA-N 0 3 439.943 4.177 40 0 IIABHN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)cc1F ZINC000328961086 568807810 /nfs/dbraw/zinc/80/78/10/568807810.db2.gz BBKMOGLEPZOGFW-UHFFFAOYSA-N 0 3 449.452 4.051 40 0 IIABHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000101636064 568846425 /nfs/dbraw/zinc/84/64/25/568846425.db2.gz SBDWEGLQMXXFNY-TYKWCNGQSA-N 0 3 429.605 4.098 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3cccn3C(C)C)C1)O2 ZINC000019454982 569226685 /nfs/dbraw/zinc/22/66/85/569226685.db2.gz MMADUJRTUVNODE-CJFMBICVSA-N 0 3 425.573 4.099 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000019555084 569227017 /nfs/dbraw/zinc/22/70/17/569227017.db2.gz BUOPIQIXEGJGMJ-YIXXDRMTSA-N 0 3 429.564 4.402 40 0 IIABHN CNC(=O)c1[nH]c(C2CCN(Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(F)cc1 ZINC000019696982 569229797 /nfs/dbraw/zinc/22/97/97/569229797.db2.gz IHBOVPKHUAMYNC-UHFFFAOYSA-N 0 3 436.531 4.272 40 0 IIABHN COc1ccc(CN2CCC(c3ncc(C(=O)Nc4ccc(OC)cc4)c(C)n3)CC2)cc1 ZINC000019763861 569238200 /nfs/dbraw/zinc/23/82/00/569238200.db2.gz OHNXZEWCJZOVRV-UHFFFAOYSA-N 0 3 446.551 4.434 40 0 IIABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019085732 519470590 /nfs/dbraw/zinc/47/05/90/519470590.db2.gz IMXXJLQMBGZNLA-AREMUKBSSA-N 0 3 436.596 4.336 40 0 IIABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1 ZINC000020798600 520478754 /nfs/dbraw/zinc/47/87/54/520478754.db2.gz KZTATMCAFGMVCH-OAQYLSRUSA-N 0 3 436.508 4.222 40 0 IIABHN CCc1oc2ccccc2c1CN1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012276293 523010430 /nfs/dbraw/zinc/01/04/30/523010430.db2.gz NMEXUFNSPUHPGP-UHFFFAOYSA-N 0 3 449.576 4.308 40 0 IIABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039768528 556437403 /nfs/dbraw/zinc/43/74/03/556437403.db2.gz UMZJLYNNEOEZGY-UHFFFAOYSA-N 0 3 449.492 4.405 40 0 IIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(I)cc3)CC2)c1 ZINC000039773537 556437829 /nfs/dbraw/zinc/43/78/29/556437829.db2.gz RQQAQMQAKGAXQC-UHFFFAOYSA-N 0 3 434.321 4.450 40 0 IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000032125159 556534232 /nfs/dbraw/zinc/53/42/32/556534232.db2.gz UKRDEYFULWKRKD-UHFFFAOYSA-N 0 3 437.396 4.262 40 0 IIABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964033 556630940 /nfs/dbraw/zinc/63/09/40/556630940.db2.gz MXJHJUNVQRZVAL-QFIPXVFZSA-N 0 3 428.467 4.335 40 0 IIABHN C[C@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964063 556631281 /nfs/dbraw/zinc/63/12/81/556631281.db2.gz UUEVYYMIERPHLK-ZAAXVRCTSA-N 0 3 446.507 4.260 40 0 IIABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(OC(F)(F)F)c1 ZINC000039964115 556631370 /nfs/dbraw/zinc/63/13/70/556631370.db2.gz AJWGUKLKWGTLPO-KRWDZBQOSA-N 0 3 430.386 4.014 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@H]2O ZINC000019084457 556698490 /nfs/dbraw/zinc/69/84/90/556698490.db2.gz IKJLLNCWLKORQM-PKTZIBPZSA-N 0 3 425.569 4.377 40 0 IIABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000257242601 556710727 /nfs/dbraw/zinc/71/07/27/556710727.db2.gz IDGVSHNPVOTVHE-MHZLTWQESA-N 0 3 429.564 4.283 40 0 IIABHN Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc2c1 ZINC000019221145 556715429 /nfs/dbraw/zinc/71/54/29/556715429.db2.gz GIRGQYVMWNXUES-HSZRJFAPSA-N 0 3 445.567 4.091 40 0 IIABHN Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc2c1 ZINC000019221145 556715431 /nfs/dbraw/zinc/71/54/31/556715431.db2.gz GIRGQYVMWNXUES-HSZRJFAPSA-N 0 3 445.567 4.091 40 0 IIABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000019291387 556731383 /nfs/dbraw/zinc/73/13/83/556731383.db2.gz OOOMHEOJXSXHKI-KMXBQNHCSA-N 0 3 435.543 4.258 40 0 IIABHN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019370758 556748241 /nfs/dbraw/zinc/74/82/41/556748241.db2.gz HOUXZYYBYRYRQU-DEOSSOPVSA-N 0 3 448.611 4.417 40 0 IIABHN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019370758 556748244 /nfs/dbraw/zinc/74/82/44/556748244.db2.gz HOUXZYYBYRYRQU-DEOSSOPVSA-N 0 3 448.611 4.417 40 0 IIABHN O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019370758 556748249 /nfs/dbraw/zinc/74/82/49/556748249.db2.gz HOUXZYYBYRYRQU-DEOSSOPVSA-N 0 3 448.611 4.417 40 0 IIABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499319 556771172 /nfs/dbraw/zinc/77/11/72/556771172.db2.gz NOWPEOFLDJDBCM-RTWAWAEBSA-N 0 3 444.959 4.073 40 0 IIABHN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cnc(CC)nc2)C1 ZINC000019523328 556780872 /nfs/dbraw/zinc/78/08/72/556780872.db2.gz LWHWNXGCFIUGCL-RUZDIDTESA-N 0 3 434.609 4.338 40 0 IIABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C ZINC000004231201 556820459 /nfs/dbraw/zinc/82/04/59/556820459.db2.gz DUCUZYYXVRYSCW-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000004231267 556820873 /nfs/dbraw/zinc/82/08/73/556820873.db2.gz ZSCYGKWYWBBLOM-UHFFFAOYSA-N 0 3 426.948 4.340 40 0 IIABHN COCc1ccc(OC)c(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584422 556821813 /nfs/dbraw/zinc/82/18/13/556821813.db2.gz XFVHVIMEGPBQQE-OAQYLSRUSA-N 0 3 447.583 4.139 40 0 IIABHN CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019591341 556826459 /nfs/dbraw/zinc/82/64/59/556826459.db2.gz TYYBXKZPJHLAOT-MHZLTWQESA-N 0 3 429.564 4.328 40 0 IIABHN COCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019593000 556829240 /nfs/dbraw/zinc/82/92/40/556829240.db2.gz QZJOSCJNGKZIPA-HHHXNRCGSA-N 0 3 429.564 4.465 40 0 IIABHN COc1cccc(CN2CCCc3c(C)nc([C@H]4CCCN(C5CCOCC5)C4)nc32)c1 ZINC000019706629 556864891 /nfs/dbraw/zinc/86/48/91/556864891.db2.gz WKQRNRSYXDNGDI-NRFANRHFSA-N 0 3 436.600 4.105 40 0 IIABHN COc1cc2c(cc1CN1CCC(Cc3ncncc3C(=O)NC3CCCC3)CC1)CCC2 ZINC000019757072 556901112 /nfs/dbraw/zinc/90/11/12/556901112.db2.gz CFKYGNRSRPIUQR-UHFFFAOYSA-N 0 3 448.611 4.101 40 0 IIABHN Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019761763 556905319 /nfs/dbraw/zinc/90/53/19/556905319.db2.gz GUCDRAUADFALMD-NRFANRHFSA-N 0 3 439.563 4.185 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccn2)CC1 ZINC000072345166 556916510 /nfs/dbraw/zinc/91/65/10/556916510.db2.gz PMHHCMIPSAOFIB-UHFFFAOYSA-N 0 3 428.580 4.493 40 0 IIABHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000019817651 556920514 /nfs/dbraw/zinc/92/05/14/556920514.db2.gz JZMUVYBOKYFREP-JOCHJYFZSA-N 0 3 425.492 4.110 40 0 IIABHN NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccnc(N2CCCC2)n1 ZINC000072370758 556936474 /nfs/dbraw/zinc/93/64/74/556936474.db2.gz KGPSYBMQRNWXLM-LJQANCHMSA-N 0 3 449.624 4.378 40 0 IIABHN Cc1c(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cnn1C ZINC000072371464 556939039 /nfs/dbraw/zinc/93/90/39/556939039.db2.gz FRUJQFNJRFTBAA-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1c(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C ZINC000072371464 556939043 /nfs/dbraw/zinc/93/90/43/556939043.db2.gz FRUJQFNJRFTBAA-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371661 556940081 /nfs/dbraw/zinc/94/00/81/556940081.db2.gz KFTQCSVHKXLDCI-KRWDZBQOSA-N 0 3 433.478 4.256 40 0 IIABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371661 556940085 /nfs/dbraw/zinc/94/00/85/556940085.db2.gz KFTQCSVHKXLDCI-KRWDZBQOSA-N 0 3 433.478 4.256 40 0 IIABHN CCOC(=O)Cn1c(Cl)c(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)sc1=O ZINC000072389699 556959873 /nfs/dbraw/zinc/95/98/73/556959873.db2.gz YHFHJHLYYJIOKS-KRWDZBQOSA-N 0 3 434.989 4.286 40 0 IIABHN c1[nH]nc2cccc(C[C@@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)c12 ZINC000585261963 557198020 /nfs/dbraw/zinc/19/80/20/557198020.db2.gz QSQMYDMVQZXZCX-NRFANRHFSA-N 0 3 428.536 4.228 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585272674 557217282 /nfs/dbraw/zinc/21/72/82/557217282.db2.gz VJJYCZIJMXMNMN-HHHXNRCGSA-N 0 3 449.595 4.457 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000100642048 557267271 /nfs/dbraw/zinc/26/72/71/557267271.db2.gz ZAYSVDYPHSILKN-AABGKKOBSA-N 0 3 440.908 4.461 40 0 IIABHN COc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000022928577 557271649 /nfs/dbraw/zinc/27/16/49/557271649.db2.gz NTIYZILRYOGNGI-DEOSSOPVSA-N 0 3 438.620 4.227 40 0 IIABHN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000221373111 557315239 /nfs/dbraw/zinc/31/52/39/557315239.db2.gz OUNNGEMOBLNPCH-UHFFFAOYSA-N 0 3 427.548 4.334 40 0 IIABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998267 557402993 /nfs/dbraw/zinc/40/29/93/557402993.db2.gz GDGZINJWZUMYRA-LEWJYISDSA-N 0 3 446.385 4.450 40 0 IIABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259684 557452006 /nfs/dbraw/zinc/45/20/06/557452006.db2.gz UDTVWTLFUASAKS-SFTDATJTSA-N 0 3 425.989 4.060 40 0 IIABHN Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837944 /nfs/dbraw/zinc/83/79/44/557837944.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 0 3 435.612 4.050 40 0 IIABHN Cc1ccccc1CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585262278 568616388 /nfs/dbraw/zinc/61/63/88/568616388.db2.gz UNRPJBMLBJSRLS-LUKWVAJMSA-N 0 3 444.547 4.040 40 0 IIABHN Cc1nccn1CCOc1cccc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270931 568617832 /nfs/dbraw/zinc/61/78/32/568617832.db2.gz DRUOEOMSRCZPHD-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1nccn1CCOc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274777 568618619 /nfs/dbraw/zinc/61/86/19/568618619.db2.gz ZLLRMFRKRUBJCV-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CCc3c(C)nc(N)nc3C)C2)n1 ZINC000257275673 568700240 /nfs/dbraw/zinc/70/02/40/568700240.db2.gz NQJXWHZDAIHSAO-SFHVURJKSA-N 0 3 448.546 4.210 40 0 IIABHN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCN3CCCC3)CCOCC2)cc1 ZINC000257277492 568701234 /nfs/dbraw/zinc/70/12/34/568701234.db2.gz NYEJOWSJGSCCCG-UHFFFAOYSA-N 0 3 440.559 4.053 40 0 IIABHN Cc1cc(Nc2nccs2)cc([C@H]2CCCN(Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000257285396 568704490 /nfs/dbraw/zinc/70/44/90/568704490.db2.gz PGWPNFPVADNRNI-SFHVURJKSA-N 0 3 448.596 4.160 40 0 IIABHN Cc1ccc2n[nH]c(C(=O)N3CCO[C@H](c4cc(Nc5ncccc5C)cc(C)n4)C3)c2c1 ZINC000257293916 568708360 /nfs/dbraw/zinc/70/83/60/568708360.db2.gz QRRVJMUHTGSQCC-QFIPXVFZSA-N 0 3 442.523 4.235 40 0 IIABHN CN(CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257295136 568708981 /nfs/dbraw/zinc/70/89/81/568708981.db2.gz QXDDELFGUZIAMR-DEOSSOPVSA-N 0 3 449.986 4.301 40 0 IIABHN Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)o1 ZINC000306128008 568764973 /nfs/dbraw/zinc/76/49/73/568764973.db2.gz GNQKJGLGANSCHJ-UHFFFAOYSA-N 0 3 446.551 4.071 40 0 IIABHN Cc1ccc(C)c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)c1 ZINC000328981195 568808360 /nfs/dbraw/zinc/80/83/60/568808360.db2.gz GSOSAMJYZUEHPI-UHFFFAOYSA-N 0 3 445.489 4.220 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000019551499 569227087 /nfs/dbraw/zinc/22/70/87/569227087.db2.gz PNFINCDYPJJPDZ-NBGIEHNGSA-N 0 3 437.584 4.359 40 0 IIABHN CN(Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1)Cc1cccnc1 ZINC000225426006 291381807 /nfs/dbraw/zinc/38/18/07/291381807.db2.gz SAHRHTMGEBQXQX-UHFFFAOYSA-N 0 3 436.572 4.031 40 0 biogenic,in-vitro IIABHN CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000001640741 555707885 /nfs/dbraw/zinc/70/78/85/555707885.db2.gz JDQUIRXNINRFHQ-UHFFFAOYSA-N 0 3 437.559 4.340 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000100799262 556591142 /nfs/dbraw/zinc/59/11/42/556591142.db2.gz WMUKCJWSARQGPN-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000019081775 556696405 /nfs/dbraw/zinc/69/64/05/556696405.db2.gz HREILENEUGTJQZ-CJFMBICVSA-N 0 3 449.595 4.482 40 0 IIABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084442 556698539 /nfs/dbraw/zinc/69/85/39/556698539.db2.gz NSQZLUIKOWJEHY-DHIUTWEWSA-N 0 3 425.569 4.377 40 0 IIABHN COc1ccccc1-c1cccc(CC2(C(=O)NC[C@H]3CCCN(C)C3)CCOCC2)c1 ZINC000257231818 556709285 /nfs/dbraw/zinc/70/92/85/556709285.db2.gz GIHURWAXKOLCQQ-JOCHJYFZSA-N 0 3 436.596 4.160 40 0 IIABHN CC(=O)N(C)[C@H]1CCOC2(CCN(Cc3ccccc3OCc3cccc(F)c3)CC2)C1 ZINC000257262572 556712641 /nfs/dbraw/zinc/71/26/41/556712641.db2.gz LLYNVXYOQMUUTQ-DEOSSOPVSA-N 0 3 440.559 4.397 40 0 IIABHN Cc1cccc(CN2CC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236141 556720857 /nfs/dbraw/zinc/72/08/57/556720857.db2.gz MSIGIGUTPKOZCE-MHZLTWQESA-N 0 3 428.580 4.411 40 0 IIABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC000019237790 556722849 /nfs/dbraw/zinc/72/28/49/556722849.db2.gz IRSHULNKOTXEDY-NLFFAJNJSA-N 0 3 430.552 4.177 40 0 IIABHN Oc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374124 556750638 /nfs/dbraw/zinc/75/06/38/556750638.db2.gz FYVXUOWXUSIGAV-DQEYMECFSA-N 0 3 431.532 4.443 40 0 IIABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400626 556753274 /nfs/dbraw/zinc/75/32/74/556753274.db2.gz LEHFGDXBKSYYEZ-YADARESESA-N 0 3 443.576 4.470 40 0 IIABHN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(Cc2cnc(N)nc2)C1 ZINC000019448957 556759008 /nfs/dbraw/zinc/75/90/08/556759008.db2.gz UNHQNBJLJUQOEC-VWLOTQADSA-N 0 3 449.624 4.137 40 0 IIABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499322 556771219 /nfs/dbraw/zinc/77/12/19/556771219.db2.gz NOWPEOFLDJDBCM-LEWJYISDSA-N 0 3 444.959 4.073 40 0 IIABHN CCc1ncc(CN2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523313 556780442 /nfs/dbraw/zinc/78/04/42/556780442.db2.gz KCQCSLJCIFBUDQ-HHHXNRCGSA-N 0 3 428.580 4.229 40 0 IIABHN CCc1ncc(CN2CC[C@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523323 556780851 /nfs/dbraw/zinc/78/08/51/556780851.db2.gz PWPOLOHODYYOAK-RUZDIDTESA-N 0 3 434.609 4.291 40 0 IIABHN CCn1cc(CN2CCC[C@@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 ZINC000019524912 556782313 /nfs/dbraw/zinc/78/23/13/556782313.db2.gz KGPDSWREQOSGAA-GOSISDBHSA-N 0 3 425.606 4.325 40 0 IIABHN CCn1cc(CN2CCC[C@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 ZINC000019524913 556782376 /nfs/dbraw/zinc/78/23/76/556782376.db2.gz KGPDSWREQOSGAA-SFHVURJKSA-N 0 3 425.606 4.325 40 0 IIABHN CCOc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019533798 556793658 /nfs/dbraw/zinc/79/36/58/556793658.db2.gz OFJQSVCJCGQEHM-OAQYLSRUSA-N 0 3 447.583 4.392 40 0 IIABHN COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CCN(Cc4cccc(OC)c4)C[C@@H]32)cc1 ZINC000019557730 556799758 /nfs/dbraw/zinc/79/97/58/556799758.db2.gz XUODFCWFLWUUSP-TWJOJJKGSA-N 0 3 434.580 4.320 40 0 IIABHN COc1cccc(CN2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)c1 ZINC000019564848 556805845 /nfs/dbraw/zinc/80/58/45/556805845.db2.gz JWCIWJSVYAPOMW-HHHXNRCGSA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(CN2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)c1 ZINC000019564851 556805915 /nfs/dbraw/zinc/80/59/15/556805915.db2.gz JWCIWJSVYAPOMW-MHZLTWQESA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)c1 ZINC000019565432 556806148 /nfs/dbraw/zinc/80/61/48/556806148.db2.gz DXWGVFBKKWAWRE-HJOGWXRNSA-N 0 3 433.577 4.282 40 0 IIABHN Cc1cc(C(=O)N2CCC(O)(CN3CCCC[C@H]3c3cccnc3)CC2)c2ccccc2n1 ZINC000019569427 556809365 /nfs/dbraw/zinc/80/93/65/556809365.db2.gz CDYSUKCWMVLCMC-VWLOTQADSA-N 0 3 444.579 4.133 40 0 IIABHN Cc1cc(CN2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(-c4cccs4)ccc2=O)C3)cs1 ZINC000019572044 556812354 /nfs/dbraw/zinc/81/23/54/556812354.db2.gz IXEPNGLWRNODOF-LIMIJEPZSA-N 0 3 441.622 4.290 40 0 IIABHN CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCN1CC ZINC000004217055 556821401 /nfs/dbraw/zinc/82/14/01/556821401.db2.gz RHYWVDWRGBLPLS-OAQYLSRUSA-N 0 3 428.646 4.106 40 0 IIABHN COCc1ccc(OC)c(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584424 556821998 /nfs/dbraw/zinc/82/19/98/556821998.db2.gz XFVHVIMEGPBQQE-NRFANRHFSA-N 0 3 447.583 4.139 40 0 IIABHN COc1cccc(CN2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1OC ZINC000019700338 556859827 /nfs/dbraw/zinc/85/98/27/556859827.db2.gz MVADDRMPBFZSSO-UHFFFAOYSA-N 0 3 445.563 4.076 40 0 IIABHN Cc1ccccc1CN1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)C(=O)CC3)CC1 ZINC000019739410 556877775 /nfs/dbraw/zinc/87/77/75/556877775.db2.gz BGOWMZDMRCEBOS-UHFFFAOYSA-N 0 3 441.579 4.347 40 0 IIABHN O=C1N[C@]2(COC3(C2)CCN(Cc2ccc(Cl)cc2)CC3)Nc2ccc(Cl)cc21 ZINC000072325575 556902936 /nfs/dbraw/zinc/90/29/36/556902936.db2.gz PZGVUGMIEUTYHJ-JOCHJYFZSA-N 0 3 432.351 4.300 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000072330468 556905914 /nfs/dbraw/zinc/90/59/14/556905914.db2.gz BUOPIQIXEGJGMJ-HOFKKMOUSA-N 0 3 429.564 4.402 40 0 IIABHN CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccnc2)CC1 ZINC000072345042 556916623 /nfs/dbraw/zinc/91/66/23/556916623.db2.gz QJOPVTLUJXYCBO-UHFFFAOYSA-N 0 3 428.580 4.495 40 0 IIABHN CN1CCC(C(=O)N2CCC[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000072359214 556932061 /nfs/dbraw/zinc/93/20/61/556932061.db2.gz ISSOANAQERAUTK-GOSISDBHSA-N 0 3 432.490 4.210 40 0 IIABHN COc1ccc(CN2CCC([C@]3(C)CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372049 556941585 /nfs/dbraw/zinc/94/15/85/556941585.db2.gz VBNYPTLVJCAHBU-SANMLTNESA-N 0 3 438.616 4.109 40 0 IIABHN CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cccnc1 ZINC000072380066 556957304 /nfs/dbraw/zinc/95/73/04/556957304.db2.gz YBCONFGIYLFRGP-HXUWFJFHSA-N 0 3 437.609 4.348 40 0 IIABHN Cc1nn2cccnc2c1C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393407 556964848 /nfs/dbraw/zinc/96/48/48/556964848.db2.gz YDAPWHMIFGBETN-UHFFFAOYSA-N 0 3 437.975 4.007 40 0 IIABHN Cc1nc2cc([C@@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257310166 557003661 /nfs/dbraw/zinc/00/36/61/557003661.db2.gz UDYHQPIBEFZRHE-NQIIRXRSSA-N 0 3 445.558 4.153 40 0 IIABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101319375 557123226 /nfs/dbraw/zinc/12/32/26/557123226.db2.gz XTHGZECHEVHMIA-SFHVURJKSA-N 0 3 435.833 4.304 40 0 IIABHN CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(N4CCC(C)CC4)ccc32)s1 ZINC000096154580 557178611 /nfs/dbraw/zinc/17/86/11/557178611.db2.gz IZGNTPINKZLUBR-UHFFFAOYSA-N 0 3 441.601 4.211 40 0 IIABHN Cc1ccn(CCOc2ccc(CN3CCC(O)(COc4ccc(C)cc4C)CC3)cc2)n1 ZINC000585273514 557215935 /nfs/dbraw/zinc/21/59/35/557215935.db2.gz OSRUUVAKZMHCHJ-UHFFFAOYSA-N 0 3 449.595 4.293 40 0 IIABHN O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600148 557359079 /nfs/dbraw/zinc/35/90/79/557359079.db2.gz DAXYBFSABZXFST-MRXNPFEDSA-N 0 3 428.895 4.058 40 0 IIABHN COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccc3nccnc3c2)c1 ZINC000072377124 557389407 /nfs/dbraw/zinc/38/94/07/557389407.db2.gz JRCCMKWXKDJPSW-HSZRJFAPSA-N 0 3 426.524 4.405 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000101168023 557416183 /nfs/dbraw/zinc/41/61/83/557416183.db2.gz AWTVSNZKEXJBJA-SGNDLWITSA-N 0 3 428.488 4.445 40 0 IIABHN COc1ccc2cc(S(=O)(=O)[N-]c3ccc(OC4CC[NH+](C)CC4)cc3)ccc2c1 ZINC000223136716 557437595 /nfs/dbraw/zinc/43/75/95/557437595.db2.gz WUZFRSTUHKOCDK-UHFFFAOYSA-N 0 3 426.538 4.122 40 0 IIABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102861329 557458316 /nfs/dbraw/zinc/45/83/16/557458316.db2.gz IUBITZYLXRRGMJ-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270002 568616688 /nfs/dbraw/zinc/61/66/88/568616688.db2.gz AMFRDXIPLMHDHQ-AREMUKBSSA-N 0 3 435.568 4.104 40 0 IIABHN CCOCCOc1ccc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585274667 568618450 /nfs/dbraw/zinc/61/84/50/568618450.db2.gz ZHDXZJTWQYDWIV-DEOSSOPVSA-N 0 3 433.976 4.470 40 0 IIABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585288045 568619272 /nfs/dbraw/zinc/61/92/72/568619272.db2.gz UXLNYAZRNVSQDB-DNRQZRRGSA-N 0 3 434.596 4.013 40 0 IIABHN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000257216235 568672652 /nfs/dbraw/zinc/67/26/52/568672652.db2.gz CTQSFLYKSWSYGK-HXUWFJFHSA-N 0 3 431.540 4.072 40 0 IIABHN O=C(c1cccc(OCCN2CCCC2)c1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257244837 568686101 /nfs/dbraw/zinc/68/61/01/568686101.db2.gz INALZPBSLBDSMZ-OCYIUTNCSA-N 0 3 434.580 4.229 40 0 IIABHN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257291601 568707663 /nfs/dbraw/zinc/70/76/63/568707663.db2.gz QHUBKBWYZHHISU-MRXNPFEDSA-N 0 3 430.505 4.056 40 0 IIABHN CC(C)c1ccc(CN2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)cc1 ZINC000257296952 568710161 /nfs/dbraw/zinc/71/01/61/568710161.db2.gz RFDMKASXHSOBDQ-OAQYLSRUSA-N 0 3 446.617 4.059 40 0 IIABHN Cc1nc(N(C)C)cc([C@@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257317271 568719000 /nfs/dbraw/zinc/71/90/00/568719000.db2.gz VJBZBJSQRGPLPF-SANMLTNESA-N 0 3 431.584 4.379 40 0 IIABHN Cc1cc(Nc2ccccn2)cc(C2CCN(Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)n1 ZINC000257336890 568727443 /nfs/dbraw/zinc/72/74/43/568727443.db2.gz YQMAOODTGUIVHR-UHFFFAOYSA-N 0 3 442.567 4.099 40 0 IIABHN O=C1N(Cc2cccnc2)CC[C@@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306133074 568767738 /nfs/dbraw/zinc/76/77/38/568767738.db2.gz MAWXXDZJNFFLJW-ZCYQVOJMSA-N 0 3 432.955 4.148 40 0 IIABHN COc1ccc(OCc2sc([C@@]3(O)CCCN(CC4=CCCOC4)CC3)nc2C)cc1 ZINC000019705372 569234112 /nfs/dbraw/zinc/23/41/12/569234112.db2.gz JWYSFIMQURNGGB-XMMPIXPASA-N 0 3 444.597 4.059 40 0 IIABHN COc1ccc(CN2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)cc1 ZINC000019766580 569239430 /nfs/dbraw/zinc/23/94/30/569239430.db2.gz VMNSCRLGWUEKKV-UHFFFAOYSA-N 0 3 448.542 4.242 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@H]3C2=O)c1 ZINC000011666690 569302890 /nfs/dbraw/zinc/30/28/90/569302890.db2.gz GWDKFFDTNYDZTC-VJBWXMMDSA-N 0 3 446.528 4.468 40 0 IIABHN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(OC)c2)CC1 ZINC000019700161 569326984 /nfs/dbraw/zinc/32/69/84/569326984.db2.gz XNTFHCOVUKGXBR-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccc(OC)cc2)CC1 ZINC000019700480 569327205 /nfs/dbraw/zinc/32/72/05/569327205.db2.gz LBQTVLOAPXHKTH-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000008741613 569472958 /nfs/dbraw/zinc/47/29/58/569472958.db2.gz WMUKCJWSARQGPN-BDTNDASRSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125642 525205831 /nfs/dbraw/zinc/20/58/31/525205831.db2.gz DXFDXYQEJGKMFW-UXHICEINSA-N 0 3 447.959 4.050 40 0 IIABHN COc1ccc([C@H]2CN(C)C[C@@H]2CNc2nc(C(C)C)cc(C(F)(F)F)n2)cc1OC ZINC000012235251 525422943 /nfs/dbraw/zinc/42/29/43/525422943.db2.gz VODFEKKUCYEHNM-JKSUJKDBSA-N 0 3 438.494 4.393 40 0 IIABHN COc1ccc([C@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCCN32)cc1O ZINC000003847181 555948466 /nfs/dbraw/zinc/94/84/66/555948466.db2.gz TYTIBYQBVJUCGJ-CEMLEFRQSA-N 0 3 425.525 4.340 40 0 IIABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945131 556516848 /nfs/dbraw/zinc/51/68/48/556516848.db2.gz ZIXFMLLIKRHRRF-IBGZPJMESA-N 0 3 449.492 4.405 40 0 IIABHN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000013678223 556555528 /nfs/dbraw/zinc/55/55/28/556555528.db2.gz WVXJXALCEDIMQW-UHFFFAOYSA-N 0 3 441.597 4.099 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000100939422 556612436 /nfs/dbraw/zinc/61/24/36/556612436.db2.gz MSOIFKSYWYSVLK-HJOGWXRNSA-N 0 3 444.487 4.145 40 0 IIABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCc1ccccc1F ZINC000016611381 556618266 /nfs/dbraw/zinc/61/82/66/556618266.db2.gz DQORALPAXKCFGC-INIZCTEOSA-N 0 3 426.326 4.426 40 0 IIABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCc1ccccc1F ZINC000016611383 556618369 /nfs/dbraw/zinc/61/83/69/556618369.db2.gz DQORALPAXKCFGC-MRXNPFEDSA-N 0 3 426.326 4.426 40 0 IIABHN O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038854688 556625437 /nfs/dbraw/zinc/62/54/37/556625437.db2.gz QREUDKFTJOTBSO-LJQANCHMSA-N 0 3 425.960 4.427 40 0 IIABHN COc1ccc(NC(=O)CC2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)cc1 ZINC000039963997 556630617 /nfs/dbraw/zinc/63/06/17/556630617.db2.gz YOLHHFPBUNGQQF-QHCPKHFHSA-N 0 3 440.503 4.470 40 0 IIABHN COc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000044851695 556670692 /nfs/dbraw/zinc/67/06/92/556670692.db2.gz FLNGXBGKBBGZHZ-FQEVSTJZSA-N 0 3 430.976 4.318 40 0 IIABHN COc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855542 556672032 /nfs/dbraw/zinc/67/20/32/556672032.db2.gz SUKCSRIRNWGVNT-JOCHJYFZSA-N 0 3 426.532 4.465 40 0 IIABHN CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019085729 556699334 /nfs/dbraw/zinc/69/93/34/556699334.db2.gz IMXXJLQMBGZNLA-SANMLTNESA-N 0 3 436.596 4.336 40 0 IIABHN COCCOc1cc(CN2CCC(COc3ccc(C)cc3C)(OC)CC2)ccc1OC ZINC000257315025 556703741 /nfs/dbraw/zinc/70/37/41/556703741.db2.gz UZOWNTKJRMDPPB-UHFFFAOYSA-N 0 3 443.584 4.397 40 0 IIABHN COCCOc1cccc(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 ZINC000019217363 556712816 /nfs/dbraw/zinc/71/28/16/556712816.db2.gz JFHXMVYOKNGSBM-FYYLOGMGSA-N 0 3 428.598 4.314 40 0 IIABHN Cc1cnn(CCCOc2ccc(CN3CCC[C@](O)(COc4ccccc4)C3)cc2)c1 ZINC000257278751 556714459 /nfs/dbraw/zinc/71/44/59/556714459.db2.gz ODMZRXGOMBKWKQ-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN COc1cccc(-c2cccc(CC3(C(=O)NC[C@H]4CCCN(C)C4)CCOCC3)c2)c1 ZINC000257311753 556718572 /nfs/dbraw/zinc/71/85/72/556718572.db2.gz UKVTYUBLAZYSCK-JOCHJYFZSA-N 0 3 436.596 4.160 40 0 IIABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000880658 556732575 /nfs/dbraw/zinc/73/25/75/556732575.db2.gz RYVPVBZBGPIEBY-UHFFFAOYSA-N 0 3 426.561 4.045 40 0 IIABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccccc3OCc3ccc4c(c3)OCO4)C[C@H]21 ZINC000019349440 556744482 /nfs/dbraw/zinc/74/44/82/556744482.db2.gz BSLHPSJYCSZBCP-ZIHSNCGMSA-N 0 3 444.531 4.119 40 0 IIABHN CCN(CC)CC(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019526323 556784204 /nfs/dbraw/zinc/78/42/04/556784204.db2.gz PLYBGUKJAGVICO-JOCHJYFZSA-N 0 3 448.546 4.427 40 0 IIABHN Cc1c(CN2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cnn1C ZINC000019553586 556797253 /nfs/dbraw/zinc/79/72/53/556797253.db2.gz RSVVZICWGFWXNP-DEOSSOPVSA-N 0 3 437.975 4.249 40 0 IIABHN Cc1c(CN2CCC[C@](Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C ZINC000019553611 556797309 /nfs/dbraw/zinc/79/73/09/556797309.db2.gz BCLDOEDWNZBNQU-HHHXNRCGSA-N 0 3 448.586 4.448 40 0 IIABHN COc1cc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)cc(OC)c1OC ZINC000019557920 556799870 /nfs/dbraw/zinc/79/98/70/556799870.db2.gz NSAJTMRGJLUTOE-SFHVURJKSA-N 0 3 426.517 4.435 40 0 IIABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559920 556801541 /nfs/dbraw/zinc/80/15/41/556801541.db2.gz BYEUQUDBJGXVEW-XZOQPEGZSA-N 0 3 449.547 4.241 40 0 IIABHN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc2c1C ZINC000019576803 556815189 /nfs/dbraw/zinc/81/51/89/556815189.db2.gz YHTBWGKKGTVZDA-QFIPXVFZSA-N 0 3 433.556 4.024 40 0 IIABHN Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc2c1C ZINC000019576803 556815191 /nfs/dbraw/zinc/81/51/91/556815191.db2.gz YHTBWGKKGTVZDA-QFIPXVFZSA-N 0 3 433.556 4.024 40 0 IIABHN Cc1cc2cc(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1C ZINC000006320705 556832732 /nfs/dbraw/zinc/83/27/32/556832732.db2.gz WCPZJYRKGGNHPW-LJQANCHMSA-N 0 3 436.625 4.144 40 0 IIABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000006410184 556835390 /nfs/dbraw/zinc/83/53/90/556835390.db2.gz DCUMYGIJFOJLTA-IBGZPJMESA-N 0 3 436.625 4.144 40 0 IIABHN COc1cccc2cc(CN3CCC(Cc4ncncc4C(=O)NC4CCCC4)CC3)oc21 ZINC000019756815 556900823 /nfs/dbraw/zinc/90/08/23/556900823.db2.gz SVKQPLQWCSXENG-UHFFFAOYSA-N 0 3 448.567 4.359 40 0 IIABHN CCn1cc(CN2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327245 556903567 /nfs/dbraw/zinc/90/35/67/556903567.db2.gz LFQJWMLQQSMJAI-DEOSSOPVSA-N 0 3 437.975 4.423 40 0 IIABHN COc1ccc2c(c1)NC1(CCN(Cc3cc(OC)c(OC)c(OC)c3)CC1)c1cccn1-2 ZINC000072341791 556914091 /nfs/dbraw/zinc/91/40/91/556914091.db2.gz DDZYARZOHMITMU-UHFFFAOYSA-N 0 3 449.551 4.429 40 0 IIABHN O=C(CN1CCCC1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349736 556919770 /nfs/dbraw/zinc/91/97/70/556919770.db2.gz FVTKLPUVGUNBMY-UHFFFAOYSA-N 0 3 431.502 4.493 40 0 IIABHN C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104156 557036847 /nfs/dbraw/zinc/03/68/47/557036847.db2.gz JODOVSBUUKNLRL-KBMIEXCESA-N 0 3 448.592 4.017 40 0 IIABHN CCc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000006135465 557145629 /nfs/dbraw/zinc/14/56/29/557145629.db2.gz QWPGTVUNLWVYRN-UHFFFAOYSA-N 0 3 436.625 4.468 40 0 IIABHN Cc1ccccc1CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096145192 557174398 /nfs/dbraw/zinc/17/43/98/557174398.db2.gz AFSHAZSRLOGVKG-UHFFFAOYSA-N 0 3 440.609 4.071 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(OCCCn4cccn4)cc3)CC2)cc1 ZINC000585273414 557215845 /nfs/dbraw/zinc/21/58/45/557215845.db2.gz NSLOIBGZRKKJJH-UHFFFAOYSA-N 0 3 435.568 4.067 40 0 IIABHN Cc1cnn(CCCOc2ccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585273768 557217832 /nfs/dbraw/zinc/21/78/32/557217832.db2.gz QSRDVQACGQCNAF-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219692632 557263044 /nfs/dbraw/zinc/26/30/44/557263044.db2.gz NSIMCQFNCJLXOP-OAHLLOKOSA-N 0 3 433.346 4.328 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102733729 557306778 /nfs/dbraw/zinc/30/67/78/557306778.db2.gz ZXHZFLCORQNOFT-HBFSDRIKSA-N 0 3 440.286 4.440 40 0 IIABHN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223044228 557420523 /nfs/dbraw/zinc/42/05/23/557420523.db2.gz KQXLMROLSGUJLZ-OAQYLSRUSA-N 0 3 426.988 4.417 40 0 IIABHN O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223044281 557420570 /nfs/dbraw/zinc/42/05/70/557420570.db2.gz KQXLMROLSGUJLZ-NRFANRHFSA-N 0 3 426.988 4.417 40 0 IIABHN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223750303 557509125 /nfs/dbraw/zinc/50/91/25/557509125.db2.gz VHRRPJIIZXKYCZ-PKTZIBPZSA-N 0 3 427.533 4.453 40 0 IIABHN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000224558263 557623164 /nfs/dbraw/zinc/62/31/64/557623164.db2.gz KORPZQHNZNBUHJ-DHIUTWEWSA-N 0 3 427.533 4.453 40 0 IIABHN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000224558209 557623274 /nfs/dbraw/zinc/62/32/74/557623274.db2.gz KORPZQHNZNBUHJ-XZOQPEGZSA-N 0 3 427.533 4.453 40 0 IIABHN CCOC(=O)c1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 ZINC000225773259 557775625 /nfs/dbraw/zinc/77/56/25/557775625.db2.gz HWRQITOZKXEGIL-UHFFFAOYSA-N 0 3 441.597 4.131 40 0 IIABHN O[C@H]1CC[C@@H](Cc2cc(COc3ccccc3)on2)O[C@@H]1CNCc1cccc(Cl)c1 ZINC000096269000 560054287 /nfs/dbraw/zinc/05/42/87/560054287.db2.gz AQXBCPSBHJPTMN-OEMFJLHTSA-N 0 3 442.943 4.148 40 0 biogenic,in-vitro IIABHN Cc1nccn1CCOc1cccc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270932 568617755 /nfs/dbraw/zinc/61/77/55/568617755.db2.gz DRUOEOMSRCZPHD-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN Cc1cc(N(C)C)nc([C@@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257208176 568668891 /nfs/dbraw/zinc/66/88/91/568668891.db2.gz BLAXTOQFWJIIJC-SANMLTNESA-N 0 3 431.584 4.379 40 0 IIABHN Cc1ccc2n[nH]c(C(=O)N3CCO[C@@H](c4cc(Nc5cccc(C)n5)cc(C)n4)C3)c2c1 ZINC000257237639 568682835 /nfs/dbraw/zinc/68/28/35/568682835.db2.gz HHKLHIQVCRWLLJ-JOCHJYFZSA-N 0 3 442.523 4.235 40 0 IIABHN COc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 ZINC000257247978 568687572 /nfs/dbraw/zinc/68/75/72/568687572.db2.gz JBMGRWUCOVUUHZ-NRFANRHFSA-N 0 3 436.600 4.083 40 0 IIABHN CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OCCN5CCCC5)c4)OCC[C@@]31C2 ZINC000257278855 568701678 /nfs/dbraw/zinc/70/16/78/568701678.db2.gz ODYDEYCRAPXJSQ-GXWRLENGSA-N 0 3 426.601 4.180 40 0 IIABHN Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000257300956 568711613 /nfs/dbraw/zinc/71/16/13/568711613.db2.gz RWIYOJNMJFUZNO-UHFFFAOYSA-N 0 3 442.567 4.082 40 0 IIABHN O=C(N1CCNC[C@H](COCc2ccccc2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000257304352 568713305 /nfs/dbraw/zinc/71/33/05/568713305.db2.gz SLFZSXMMERKSIQ-NRFANRHFSA-N 0 3 426.988 4.417 40 0 IIABHN CCN1CCC[C@H]1CNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329812 568724533 /nfs/dbraw/zinc/72/45/33/568724533.db2.gz XLPVYXJHZACUET-NVQXNPDNSA-N 0 3 440.559 4.194 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3ccc(Cl)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306141735 568772424 /nfs/dbraw/zinc/77/24/24/568772424.db2.gz WEXXIWRMGLSNOW-ZJSXRUAMSA-N 0 3 426.992 4.346 40 0 IIABHN CN(C)Cc1cccc(NC(=C2c3ccc(C(=O)N(C)C)cc3NC2=O)c2ccccc2)c1 ZINC000169340863 568934336 /nfs/dbraw/zinc/93/43/36/568934336.db2.gz HOMJAAIVTDVQJA-OCOZRVBESA-N 0 3 440.547 4.383 40 0 in-vitro IIABHN O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063596 569219899 /nfs/dbraw/zinc/21/98/99/569219899.db2.gz AFLHMACBIRQHGW-UHFFFAOYSA-N 0 3 435.499 4.199 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000019560938 569226984 /nfs/dbraw/zinc/22/69/84/569226984.db2.gz OOTFJOFRMSALTD-PXDATVDWSA-N 0 3 437.584 4.359 40 0 IIABHN COc1cc(C)c(CN2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000019567301 569227045 /nfs/dbraw/zinc/22/70/45/569227045.db2.gz CIHJJHNMJQTKQT-HFZDXXHNSA-N 0 3 444.579 4.485 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(C)c1C ZINC000019577344 569227361 /nfs/dbraw/zinc/22/73/61/569227361.db2.gz XKQSCTLRMDHXOT-BKMJKUGQSA-N 0 3 444.579 4.485 40 0 IIABHN Cc1ccc(CN2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1C ZINC000019702615 569232242 /nfs/dbraw/zinc/23/22/42/569232242.db2.gz FEDIDYVDMYQVEP-FQEVSTJZSA-N 0 3 435.593 4.375 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000018044708 569284270 /nfs/dbraw/zinc/28/42/70/569284270.db2.gz VOOMCSJTSLNGRL-UFYCRDLUSA-N 0 3 440.908 4.461 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000008951852 569292582 /nfs/dbraw/zinc/29/25/82/569292582.db2.gz FOSNTVDHSDNFAX-VSKRKVRLSA-N 0 3 434.879 4.400 40 0 IIABHN CCOc1ccc(CN2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 ZINC000019763526 569328861 /nfs/dbraw/zinc/32/88/61/569328861.db2.gz ZCVBELBVRILQTI-HSZRJFAPSA-N 0 3 444.579 4.493 40 0 IIABHN CCOc1ccccc1CN1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1 ZINC000012158753 521481239 /nfs/dbraw/zinc/48/12/39/521481239.db2.gz KSKDRJCVKUCELJ-UHFFFAOYSA-N 0 3 433.474 4.433 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000012707191 524057776 /nfs/dbraw/zinc/05/77/76/524057776.db2.gz XOLPXADNOILATG-UHFFFAOYSA-N 0 3 436.531 4.360 40 0 IIABHN Clc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000035310842 526960942 /nfs/dbraw/zinc/96/09/42/526960942.db2.gz BOOIYHNZNHPSPN-QFIPXVFZSA-N 0 3 440.979 4.008 40 0 IIABHN COc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c(OC)c1 ZINC000009933428 556317053 /nfs/dbraw/zinc/31/70/53/556317053.db2.gz LCJQCOAFKBGZLJ-DEOSSOPVSA-N 0 3 436.596 4.397 40 0 IIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)c1 ZINC000039755166 556439043 /nfs/dbraw/zinc/43/90/43/556439043.db2.gz WUQLZUUBKWXMQZ-UHFFFAOYSA-N 0 3 431.536 4.369 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044855684 556672050 /nfs/dbraw/zinc/67/20/50/556672050.db2.gz RBCSSRMPSWQAHL-JOCHJYFZSA-N 0 3 426.532 4.465 40 0 IIABHN COc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044908710 556680486 /nfs/dbraw/zinc/68/04/86/556680486.db2.gz QZYSHRGLYMZKDO-FQEVSTJZSA-N 0 3 430.548 4.451 40 0 IIABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084448 556698543 /nfs/dbraw/zinc/69/85/43/556698543.db2.gz NSQZLUIKOWJEHY-GOTSBHOMSA-N 0 3 425.569 4.377 40 0 IIABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c2ccccc12 ZINC000257335664 556706374 /nfs/dbraw/zinc/70/63/74/556706374.db2.gz YLHRHJOLYUQBMP-HSZRJFAPSA-N 0 3 432.568 4.027 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cccc3ccncc32)C1 ZINC000257342488 556707436 /nfs/dbraw/zinc/70/74/36/556707436.db2.gz ZOWOIGIIRDBAHZ-OAQYLSRUSA-N 0 3 429.564 4.162 40 0 IIABHN Fc1ccc(COc2cccc(CN3CCOC[C@@H](Cc4cn5ccnc5cn4)C3)c2)cc1 ZINC000257228251 556708499 /nfs/dbraw/zinc/70/84/99/556708499.db2.gz FTCBQGZOTHVFBY-QFIPXVFZSA-N 0 3 446.526 4.139 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cccc3cnccc32)C1 ZINC000257234592 556709796 /nfs/dbraw/zinc/70/97/96/556709796.db2.gz GUGPJGRMPZKQIT-NRFANRHFSA-N 0 3 429.564 4.162 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000013688053 556711303 /nfs/dbraw/zinc/71/13/03/556711303.db2.gz UNADECRQZGYGGY-SGNDLWITSA-N 0 3 444.487 4.014 40 0 IIABHN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2)C1 ZINC000019448943 556758957 /nfs/dbraw/zinc/75/89/57/556758957.db2.gz CPMWWRPCKVZWEL-HHHXNRCGSA-N 0 3 428.580 4.493 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3cccn3C(C)C)C1)O2 ZINC000019454988 556765212 /nfs/dbraw/zinc/76/52/12/556765212.db2.gz MMADUJRTUVNODE-CPJSRVTESA-N 0 3 425.573 4.099 40 0 IIABHN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019503569 556775287 /nfs/dbraw/zinc/77/52/87/556775287.db2.gz BHVHZJNGZZQHJM-HHHXNRCGSA-N 0 3 428.580 4.495 40 0 IIABHN CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019503567 556775304 /nfs/dbraw/zinc/77/53/04/556775304.db2.gz OBTCKCZMBZYFTO-MHZLTWQESA-N 0 3 428.580 4.495 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001353341 556781475 /nfs/dbraw/zinc/78/14/75/556781475.db2.gz JPRPWQFPEPZAAV-FQEVSTJZSA-N 0 3 436.531 4.494 40 0 IIABHN CCn1cc(CN2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)cn1 ZINC000019524907 556782352 /nfs/dbraw/zinc/78/23/52/556782352.db2.gz ZGUDXKBNFLJXNL-HHHXNRCGSA-N 0 3 445.611 4.315 40 0 IIABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559911 556801527 /nfs/dbraw/zinc/80/15/27/556801527.db2.gz BYEUQUDBJGXVEW-PKTZIBPZSA-N 0 3 449.547 4.241 40 0 IIABHN COc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000019584437 556821893 /nfs/dbraw/zinc/82/18/93/556821893.db2.gz CENZSVRTAAVGLL-LJQANCHMSA-N 0 3 433.556 4.001 40 0 IIABHN CNc1ncccc1CN1CCC(c2nc(N(C)C)ncc2-c2ccc(OC)cc2)CC1 ZINC000019695278 556851706 /nfs/dbraw/zinc/85/17/06/556851706.db2.gz WIPWWAUOGDXPMI-UHFFFAOYSA-N 0 3 432.572 4.035 40 0 IIABHN CCn1cc(CN2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327244 556903556 /nfs/dbraw/zinc/90/35/56/556903556.db2.gz LFQJWMLQQSMJAI-XMMPIXPASA-N 0 3 437.975 4.423 40 0 IIABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000072330466 556905712 /nfs/dbraw/zinc/90/57/12/556905712.db2.gz OWNMDAOWONQVCU-HOFKKMOUSA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000072330543 556906198 /nfs/dbraw/zinc/90/61/98/556906198.db2.gz FAPFMKBZDUMDCB-RLWLMLJZSA-N 0 3 445.563 4.482 40 0 IIABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1C(F)(F)F ZINC000019819055 556921721 /nfs/dbraw/zinc/92/17/21/556921721.db2.gz QUCQDDZJVYLKJA-HNNXBMFYSA-N 0 3 432.398 4.144 40 0 IIABHN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000072352296 556923606 /nfs/dbraw/zinc/92/36/06/556923606.db2.gz ATMOMUOMTSBHCE-INIZCTEOSA-N 0 3 440.613 4.288 40 0 IIABHN COc1ccc2c(CN3CC[C@@H](c4c5cccnc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352527 556924492 /nfs/dbraw/zinc/92/44/92/556924492.db2.gz CWTLFUDIIIISLK-MRXNPFEDSA-N 0 3 448.592 4.488 40 0 IIABHN Fc1ccc(OCCc2cc([C@H]3CCN(CCOc4ccccc4F)C3)n[nH]2)cc1F ZINC000072371703 556940535 /nfs/dbraw/zinc/94/05/35/556940535.db2.gz ZIRJIOCAZKARRA-INIZCTEOSA-N 0 3 431.458 4.317 40 0 IIABHN Fc1ccc(OCCc2cc([C@H]3CCN(CCOc4ccccc4F)C3)[nH]n2)cc1F ZINC000072371703 556940536 /nfs/dbraw/zinc/94/05/36/556940536.db2.gz ZIRJIOCAZKARRA-INIZCTEOSA-N 0 3 431.458 4.317 40 0 IIABHN COc1cc(C)c(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000072398663 556970362 /nfs/dbraw/zinc/97/03/62/556970362.db2.gz CIHJJHNMJQTKQT-RLWLMLJZSA-N 0 3 444.579 4.485 40 0 IIABHN O=C(CN1CCC[C@H]2CCCC[C@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257277178 556993327 /nfs/dbraw/zinc/99/33/27/556993327.db2.gz NWTKMFHFVNJVJQ-UGGKCQTMSA-N 0 3 428.577 4.041 40 0 IIABHN O=C(Cc1ccccc1)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 ZINC000585110169 557043143 /nfs/dbraw/zinc/04/31/43/557043143.db2.gz RLXXATQGKSVEQK-DQEYMECFSA-N 0 3 439.559 4.039 40 0 IIABHN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102725403 557131386 /nfs/dbraw/zinc/13/13/86/557131386.db2.gz HKVSAYZUUFBPRN-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102725403 557131389 /nfs/dbraw/zinc/13/13/89/557131389.db2.gz HKVSAYZUUFBPRN-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN CCc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585271592 557213365 /nfs/dbraw/zinc/21/33/65/557213365.db2.gz AVMXYBSXERWZRV-UHFFFAOYSA-N 0 3 449.595 4.239 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 ZINC000585273336 557215254 /nfs/dbraw/zinc/21/52/54/557215254.db2.gz ZVZBFWGPFZXTEM-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCCn4cccn4)c3)CC2)c(C)c1 ZINC000585272459 557217202 /nfs/dbraw/zinc/21/72/02/557217202.db2.gz IWLSPZWSMRQIIE-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257829 557451743 /nfs/dbraw/zinc/45/17/43/557451743.db2.gz OJLAHLYDDXYKAO-LEWJYISDSA-N 0 3 448.621 4.016 40 0 IIABHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000017100750 557489389 /nfs/dbraw/zinc/48/93/89/557489389.db2.gz KYLKHGLDPXBVPZ-UHFFFAOYSA-N 0 3 436.606 4.197 40 0 IIABHN Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020121790 557515460 /nfs/dbraw/zinc/51/54/60/557515460.db2.gz VLJWQVKTUARHQT-JOCHJYFZSA-N 0 3 429.012 4.481 40 0 IIABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H](Cc3nccn4cccc34)CC2)CC1 ZINC000257224173 568676037 /nfs/dbraw/zinc/67/60/37/568676037.db2.gz FAPGYCHICSTFKT-QHCPKHFHSA-N 0 3 444.623 4.460 40 0 IIABHN Cc1nc([C@@H]2CCN(CCc3ccccc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257231878 568679688 /nfs/dbraw/zinc/67/96/88/568679688.db2.gz GINRNJRBKNYHLY-JOCHJYFZSA-N 0 3 444.554 4.436 40 0 IIABHN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC3CCN(C)CC3)CCOCC2)cc1 ZINC000257237988 568682792 /nfs/dbraw/zinc/68/27/92/568682792.db2.gz HJCUJTSYAJSQML-UHFFFAOYSA-N 0 3 440.559 4.051 40 0 IIABHN CN1CCN(C(=O)c2ccccc2CN2CCCC2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257277584 568701125 /nfs/dbraw/zinc/70/11/25/568701125.db2.gz NYOCRGHEZVABGV-HSZRJFAPSA-N 0 3 442.607 4.077 40 0 IIABHN Cc1cnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4[nH]nc5ccc(C)cc54)CCO3)c2)s1 ZINC000257279293 568701793 /nfs/dbraw/zinc/70/17/93/568701793.db2.gz OFYMBBWASABBNE-HXUWFJFHSA-N 0 3 448.552 4.297 40 0 IIABHN Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293006 568708151 /nfs/dbraw/zinc/70/81/51/568708151.db2.gz QNTZVGKVUYRKCU-XUZZJYLKSA-N 0 3 435.616 4.298 40 0 IIABHN COc1cc(CCC(=O)N2CC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)on1 ZINC000257342577 568729625 /nfs/dbraw/zinc/72/96/25/568729625.db2.gz ZPHFKDHFWITBFB-QGZVFWFLSA-N 0 3 436.512 4.088 40 0 IIABHN O=C1CCC[C@]2(CN(Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccc2)N1 ZINC000019373761 568989495 /nfs/dbraw/zinc/98/94/95/568989495.db2.gz DYVBYGGEKDWADP-RPLLCQBOSA-N 0 3 427.548 4.299 40 0 IIABHN CCc1nc(-c2cncnc2[C@@H]2CCN(Cc3ccc(OC(C)C)c(COC)c3)C2)no1 ZINC000019693714 569229077 /nfs/dbraw/zinc/22/90/77/569229077.db2.gz IYAVWTFTFVRHDP-GOSISDBHSA-N 0 3 437.544 4.012 40 0 IIABHN COc1ccc(-c2nc([C@@H]3CCCN(Cc4cccc(OC(C)C)c4)C3)[nH]c2C(N)=O)cc1 ZINC000019698937 569230314 /nfs/dbraw/zinc/23/03/14/569230314.db2.gz VAUJBTCDPNHKKX-HXUWFJFHSA-N 0 3 448.567 4.351 40 0 IIABHN COc1cccc(CN2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)c1OC ZINC000019713937 569235812 /nfs/dbraw/zinc/23/58/12/569235812.db2.gz KKXYNGQWZHHNFA-BHIFYINESA-N 0 3 426.532 4.087 40 0 IIABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(OC)cc2)CC1 ZINC000019700151 569327089 /nfs/dbraw/zinc/32/70/89/569327089.db2.gz NYKBTGJNFZDQPS-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN CN(C)CCCNc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328996714 569582865 /nfs/dbraw/zinc/58/28/65/569582865.db2.gz JMJSSSQHVJJNDN-UHFFFAOYSA-N 0 3 432.359 4.648 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000012705854 521632846 /nfs/dbraw/zinc/63/28/46/521632846.db2.gz WNLDVXDNYWQOFM-HSZRJFAPSA-N 0 3 438.616 4.474 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)NCc1ccccc1 ZINC000012711738 521652980 /nfs/dbraw/zinc/65/29/80/521652980.db2.gz LXKKQTBIVFZNGZ-QHCPKHFHSA-N 0 3 432.568 4.033 40 0 IIABHN COc1ccc(NC(=O)N(CCN2CCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000012705632 524538214 /nfs/dbraw/zinc/53/82/14/524538214.db2.gz APGCBZVTNTYWNG-UHFFFAOYSA-N 0 3 448.567 4.283 40 0 IIABHN O=C(CN1CCC[C@H]2CCCC[C@@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182759 526759706 /nfs/dbraw/zinc/75/97/06/526759706.db2.gz NWTKMFHFVNJVJQ-KHHDVDEJSA-N 0 3 428.577 4.041 40 0 IIABHN Clc1ccccc1COc1ccc(Br)cc1CNCCN1CCOCC1 ZINC000023468447 526988819 /nfs/dbraw/zinc/98/88/19/526988819.db2.gz XFELAZYNYNRONS-UHFFFAOYSA-N 0 3 439.781 4.103 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000013714553 556286327 /nfs/dbraw/zinc/28/63/27/556286327.db2.gz WOETXSICZKRVLL-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000100918522 556604269 /nfs/dbraw/zinc/60/42/69/556604269.db2.gz FOSNTVDHSDNFAX-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855649 556671952 /nfs/dbraw/zinc/67/19/52/556671952.db2.gz WHBQLHPYLZUFDU-GCJKJVERSA-N 0 3 426.532 4.465 40 0 IIABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000136472006 556689617 /nfs/dbraw/zinc/68/96/17/556689617.db2.gz KHWAVBYANPTJJF-FDFHNCONSA-N 0 3 434.879 4.400 40 0 IIABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022407 556694168 /nfs/dbraw/zinc/69/41/68/556694168.db2.gz HVZDYOMOKCHBTM-JWQCQUIFSA-N 0 3 446.547 4.182 40 0 IIABHN CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022412 556694253 /nfs/dbraw/zinc/69/42/53/556694253.db2.gz HVZDYOMOKCHBTM-LOSJGSFVSA-N 0 3 446.547 4.182 40 0 IIABHN O=C1O[C@@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1Cc1ccc(F)cc1 ZINC000257213611 556702710 /nfs/dbraw/zinc/70/27/10/556702710.db2.gz CIIKLVYGTASGHS-AREMUKBSSA-N 0 3 447.510 4.397 40 0 IIABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125644 556703149 /nfs/dbraw/zinc/70/31/49/556703149.db2.gz DXFDXYQEJGKMFW-WOJBJXKFSA-N 0 3 447.959 4.050 40 0 IIABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125651 556703298 /nfs/dbraw/zinc/70/32/98/556703298.db2.gz DXFDXYQEJGKMFW-VQTJNVASSA-N 0 3 447.959 4.050 40 0 IIABHN CN1CCC(NC(=O)C2(Cc3ccc(-c4ccc(F)c(F)c4)cc3)CCOCC2)CC1 ZINC000257316316 556703810 /nfs/dbraw/zinc/70/38/10/556703810.db2.gz VFAXMYIWGRTTEO-UHFFFAOYSA-N 0 3 428.523 4.182 40 0 IIABHN COc1cc(C)ccc1CN1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133989 556705276 /nfs/dbraw/zinc/70/52/76/556705276.db2.gz HQVHPDKQPZIJTF-NRFANRHFSA-N 0 3 446.599 4.174 40 0 IIABHN COc1cccc(-c2cccc(CC3(C(=O)NCCN4CCCCC4)CCOCC3)c2)c1 ZINC000257234266 556709762 /nfs/dbraw/zinc/70/97/62/556709762.db2.gz GSVIDEHATUVLAM-UHFFFAOYSA-N 0 3 436.596 4.304 40 0 IIABHN CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000257246101 556711066 /nfs/dbraw/zinc/71/10/66/556711066.db2.gz ISMRDVWGOLDBSU-MHZLTWQESA-N 0 3 447.554 4.422 40 0 IIABHN CC(=O)N(C)[C@@H]1CCOC2(CCN(Cc3ccccc3OCc3cccc(F)c3)CC2)C1 ZINC000257262573 556712670 /nfs/dbraw/zinc/71/26/70/556712670.db2.gz LLYNVXYOQMUUTQ-XMMPIXPASA-N 0 3 440.559 4.397 40 0 IIABHN COc1ccc(-c2ccccc2)cc1CN1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257309977 556718529 /nfs/dbraw/zinc/71/85/29/556718529.db2.gz UDDXDAFFZNYPLR-FQEVSTJZSA-N 0 3 428.536 4.096 40 0 IIABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc12 ZINC000000880644 556732555 /nfs/dbraw/zinc/73/25/55/556732555.db2.gz FXDYLUCUDXBJQC-UHFFFAOYSA-N 0 3 426.561 4.045 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]2c2ccccn2)N1 ZINC000019401989 556753965 /nfs/dbraw/zinc/75/39/65/556753965.db2.gz YQLHBLSWOMWFTJ-RPLLCQBOSA-N 0 3 442.563 4.084 40 0 IIABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499316 556771251 /nfs/dbraw/zinc/77/12/51/556771251.db2.gz NOVXMTZAJTXZRK-DHIUTWEWSA-N 0 3 438.568 4.036 40 0 IIABHN CCN1CCN(Cc2ccc(OC)cc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527754 556787362 /nfs/dbraw/zinc/78/73/62/556787362.db2.gz TVJBZFJLDLOLDQ-XMMPIXPASA-N 0 3 429.564 4.280 40 0 IIABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccc(Cl)cc3)cc12 ZINC000004231248 556820573 /nfs/dbraw/zinc/82/05/73/556820573.db2.gz SWWIFCLLLJAHJL-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN CNC(=O)c1[nH]c(C2CCN(Cc3ccc(C)cc3OC)CC2)nc1-c1ccc(OC)cc1 ZINC000019696981 556854103 /nfs/dbraw/zinc/85/41/03/556854103.db2.gz HZCFTHQZMKYXDU-UHFFFAOYSA-N 0 3 448.567 4.142 40 0 IIABHN C/C(=C\c1ccccc1)CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 ZINC000019756404 556900317 /nfs/dbraw/zinc/90/03/17/556900317.db2.gz HQBCHODWIUYJLV-LTGZKZEYSA-N 0 3 443.595 4.103 40 0 IIABHN O=C(NC1CCCC1)c1cncnc1CC1CCN(Cc2cccc3cccnc32)CC1 ZINC000019756861 556900883 /nfs/dbraw/zinc/90/08/83/556900883.db2.gz VCKYAOFGMMAHAF-UHFFFAOYSA-N 0 3 429.568 4.152 40 0 IIABHN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(OC)c2)CC1 ZINC000072345258 556916733 /nfs/dbraw/zinc/91/67/33/556916733.db2.gz MMZSINOZTIUDCC-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000072352297 556923683 /nfs/dbraw/zinc/92/36/83/556923683.db2.gz ATMOMUOMTSBHCE-MRXNPFEDSA-N 0 3 440.613 4.288 40 0 IIABHN CN1CCC(C(=O)N2CCC[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000072359213 556932124 /nfs/dbraw/zinc/93/21/24/556932124.db2.gz ISSOANAQERAUTK-SFHVURJKSA-N 0 3 432.490 4.210 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C1)CO2 ZINC000072371498 556939105 /nfs/dbraw/zinc/93/91/05/556939105.db2.gz BXCFZGCZCZXQMS-LJQANCHMSA-N 0 3 449.526 4.444 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@@H](c3cc(CCOc4ccccc4F)n[nH]3)C1)CO2 ZINC000072371498 556939108 /nfs/dbraw/zinc/93/91/08/556939108.db2.gz BXCFZGCZCZXQMS-LJQANCHMSA-N 0 3 449.526 4.444 40 0 IIABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000072372488 556942830 /nfs/dbraw/zinc/94/28/30/556942830.db2.gz OIRZLQYYVNUAAU-QHCPKHFHSA-N 0 3 428.540 4.040 40 0 IIABHN CN1CCN(C(=O)C[C@H]2CC3(CCN(Cc4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000096052938 557166447 /nfs/dbraw/zinc/16/64/47/557166447.db2.gz WTTTXIQGHMMCER-QFIPXVFZSA-N 0 3 435.587 4.011 40 0 IIABHN COCCn1c(C(=O)N2CCN(c3ccncc3)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096146368 557176665 /nfs/dbraw/zinc/17/66/65/557176665.db2.gz OUVFDKQUKSCCKU-UHFFFAOYSA-N 0 3 445.567 4.181 40 0 IIABHN O=C1CCC[C@]2(CN(Cc3ccccc3OCc3ccccn3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261696 557195741 /nfs/dbraw/zinc/19/57/41/557195741.db2.gz OFWUFUMNUMVOBG-RPLLCQBOSA-N 0 3 445.538 4.438 40 0 IIABHN O=C1CCC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261687 557195786 /nfs/dbraw/zinc/19/57/86/557195786.db2.gz INDZLUVTBXYGAV-RPLLCQBOSA-N 0 3 445.538 4.438 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OC[C@H]3CCCO3)C[C@H]2c2ccccc2)N1 ZINC000585261705 557196405 /nfs/dbraw/zinc/19/64/05/557196405.db2.gz XOJXRERVKAHGSV-ONBPZOJHSA-N 0 3 434.580 4.273 40 0 IIABHN CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H](N)CC(C)C)CC3)n2)s1 ZINC000585263413 557203757 /nfs/dbraw/zinc/20/37/57/557203757.db2.gz HYBVJNJNUWROMN-SFHVURJKSA-N 0 3 430.622 4.017 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585270247 557214148 /nfs/dbraw/zinc/21/41/48/557214148.db2.gz ASRBXFXOSPGLAA-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN Cc1nccn1CCCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271846 557216215 /nfs/dbraw/zinc/21/62/15/557216215.db2.gz DLUBUGZJEXEUOK-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN Fc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929953 557274295 /nfs/dbraw/zinc/27/42/95/557274295.db2.gz YERMKNHPRHJIIY-VWLOTQADSA-N 0 3 448.590 4.095 40 0 IIABHN O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600217 557359182 /nfs/dbraw/zinc/35/91/82/557359182.db2.gz DAXYBFSABZXFST-INIZCTEOSA-N 0 3 428.895 4.058 40 0 IIABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257770 557451816 /nfs/dbraw/zinc/45/18/16/557451816.db2.gz OJLAHLYDDXYKAO-RTWAWAEBSA-N 0 3 448.621 4.016 40 0 IIABHN Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)ccc1Cl ZINC000223281608 557455239 /nfs/dbraw/zinc/45/52/39/557455239.db2.gz JHNXCOQVPLCIAO-VXKWHMMOSA-N 0 3 440.016 4.368 40 0 IIABHN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 ZINC000224522905 557616179 /nfs/dbraw/zinc/61/61/79/557616179.db2.gz POGNZQSENPDLBH-GOTSBHOMSA-N 0 3 427.533 4.453 40 0 IIABHN CCCNC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440472 557723024 /nfs/dbraw/zinc/72/30/24/557723024.db2.gz LLYUGHWJERYNKC-UHFFFAOYSA-N 0 3 428.580 4.320 40 0 IIABHN CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCN(C)C)cc4)OCC[C@@]31C2 ZINC000257284125 568704131 /nfs/dbraw/zinc/70/41/31/568704131.db2.gz PBHUURLFJPCNLK-CGYAQOIHSA-N 0 3 428.617 4.282 40 0 IIABHN Cc1nc([C@H]2CCN(Cc3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257288630 568706346 /nfs/dbraw/zinc/70/63/46/568706346.db2.gz PVALFIPKNHTEFL-QHCPKHFHSA-N 0 3 426.564 4.296 40 0 IIABHN CCN1CCC[C@@H]1CNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329811 568724245 /nfs/dbraw/zinc/72/42/45/568724245.db2.gz XLPVYXJHZACUET-GJZUVCINSA-N 0 3 440.559 4.194 40 0 IIABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5cccc(C)n5)C4)nn3c2)c1OC ZINC000306124197 568763063 /nfs/dbraw/zinc/76/30/63/568763063.db2.gz BIYUJJJMCVREHI-FQEVSTJZSA-N 0 3 443.551 4.497 40 0 IIABHN O=C(NC[C@H]1CC[C@]2(COCCN(Cc3ccccc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133339 568767924 /nfs/dbraw/zinc/76/79/24/568767924.db2.gz MIRBRQWNQWKBSX-XXBNENTESA-N 0 3 449.378 4.173 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306141733 568772392 /nfs/dbraw/zinc/77/23/92/568772392.db2.gz WEXXIWRMGLSNOW-URXFXBBRSA-N 0 3 426.992 4.346 40 0 IIABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000019565027 569226955 /nfs/dbraw/zinc/22/69/55/569226955.db2.gz OWNMDAOWONQVCU-WNCULLNHSA-N 0 3 429.564 4.402 40 0 IIABHN CC(C)COc1ccccc1CN1CC[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019686900 569227493 /nfs/dbraw/zinc/22/74/93/569227493.db2.gz AJSJKQPBGOWHLX-HXUWFJFHSA-N 0 3 432.572 4.024 40 0 IIABHN COc1ccccc1-c1ccccc1CN1CC[C@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 ZINC000019739001 569236340 /nfs/dbraw/zinc/23/63/40/569236340.db2.gz UTVGSIOIVJOBPH-FQEVSTJZSA-N 0 3 442.563 4.359 40 0 IIABHN COc1ccc2c(c1)c(CN1CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)cn2C(C)C ZINC000019763636 569238110 /nfs/dbraw/zinc/23/81/10/569238110.db2.gz INCOZJKEUBQREW-LJQANCHMSA-N 0 3 449.599 4.411 40 0 IIABHN COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855510 569249342 /nfs/dbraw/zinc/24/93/42/569249342.db2.gz AQNZQDWAZCGMJZ-PGRDOPGGSA-N 0 3 426.532 4.465 40 0 IIABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2OC)CC1 ZINC000019700156 569327045 /nfs/dbraw/zinc/32/70/45/569327045.db2.gz FVUAAZPTBGLCKC-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN COc1ccc(CN2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)cc1OC ZINC000019700477 569327160 /nfs/dbraw/zinc/32/71/60/569327160.db2.gz XOIRNYSVDRNCQA-UHFFFAOYSA-N 0 3 445.563 4.076 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccccc1 ZINC000012635525 521633383 /nfs/dbraw/zinc/63/33/83/521633383.db2.gz JGBICDYUELOJES-HSZRJFAPSA-N 0 3 448.636 4.198 40 0 IIABHN O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503140 527395091 /nfs/dbraw/zinc/39/50/91/527395091.db2.gz ODSHBLSUKJHLIY-RBUKOAKNSA-N 0 3 432.499 4.251 40 0 biogenic,in-vitro IIABHN COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCCN32)cc1O ZINC000003847182 555948376 /nfs/dbraw/zinc/94/83/76/555948376.db2.gz TYTIBYQBVJUCGJ-HJNYFJLDSA-N 0 3 425.525 4.340 40 0 IIABHN COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855541 556672042 /nfs/dbraw/zinc/67/20/42/556672042.db2.gz SUKCSRIRNWGVNT-QFIPXVFZSA-N 0 3 426.532 4.465 40 0 IIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000019021111 556693643 /nfs/dbraw/zinc/69/36/43/556693643.db2.gz LMVPJOZVZIEYOE-UHFFFAOYSA-N 0 3 433.527 4.427 40 0 IIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000019021127 556693666 /nfs/dbraw/zinc/69/36/66/556693666.db2.gz NJZHAYNJBXETMD-UHFFFAOYSA-N 0 3 433.527 4.427 40 0 IIABHN CC(C)(C)C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019081216 556695873 /nfs/dbraw/zinc/69/58/73/556695873.db2.gz CLRAWDCORFOQBH-OAQYLSRUSA-N 0 3 442.648 4.282 40 0 IIABHN COc1ccc(CN2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)CC2)cc1OC ZINC000019117213 556700304 /nfs/dbraw/zinc/70/03/04/556700304.db2.gz APYXTKPITHCCJL-UHFFFAOYSA-N 0 3 434.462 4.453 40 0 IIABHN COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCN3CCCC[C@@H]3C)CCCO2)c1 ZINC000257218450 556703368 /nfs/dbraw/zinc/70/33/68/556703368.db2.gz DDFGDFAMEXDXDS-IDISGSTGSA-N 0 3 436.596 4.445 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCCn4ccnc4)c3)CC2)cc1 ZINC000257325926 556704927 /nfs/dbraw/zinc/70/49/27/556704927.db2.gz WVAXXEFEVWGOJM-UHFFFAOYSA-N 0 3 435.568 4.067 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000013648189 556707190 /nfs/dbraw/zinc/70/71/90/556707190.db2.gz ZOJIDIFKCOZITF-HJOGWXRNSA-N 0 3 428.488 4.309 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000013658663 556708163 /nfs/dbraw/zinc/70/81/63/556708163.db2.gz MSOIFKSYWYSVLK-SGNDLWITSA-N 0 3 444.487 4.145 40 0 IIABHN COc1ccccc1-c1ccc(CC2(C(=O)NCCN3CCCCC3)CCOCC2)cc1 ZINC000257245994 556711123 /nfs/dbraw/zinc/71/11/23/556711123.db2.gz IRZQXEFUZRLBFE-UHFFFAOYSA-N 0 3 436.596 4.304 40 0 IIABHN Cn1ccnc1COc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 ZINC000257303726 556717758 /nfs/dbraw/zinc/71/77/58/556717758.db2.gz SILNTVQGRYBXKQ-UHFFFAOYSA-N 0 3 441.959 4.058 40 0 IIABHN COc1c(C)cccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235962 556720548 /nfs/dbraw/zinc/72/05/48/556720548.db2.gz DYUBELNMYPLFLG-LJQANCHMSA-N 0 3 432.572 4.164 40 0 IIABHN CCc1ncc(CN2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)cn1 ZINC000019523312 556780480 /nfs/dbraw/zinc/78/04/80/556780480.db2.gz KCQCSLJCIFBUDQ-MHZLTWQESA-N 0 3 428.580 4.229 40 0 IIABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559914 556801533 /nfs/dbraw/zinc/80/15/33/556801533.db2.gz BYEUQUDBJGXVEW-DHIUTWEWSA-N 0 3 449.547 4.241 40 0 IIABHN COc1cc(CN(C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)ccc1OC(F)F ZINC000002638503 556801708 /nfs/dbraw/zinc/80/17/08/556801708.db2.gz MDWWFSJAMFUYHX-OTWHNJEPSA-N 0 3 425.516 4.098 40 0 IIABHN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)CCc2ccco2)cc1OC ZINC000019561448 556802873 /nfs/dbraw/zinc/80/28/73/556802873.db2.gz JXKSFLHIZPZKKZ-PKTZIBPZSA-N 0 3 434.536 4.014 40 0 IIABHN Cc1ccc2cc(CN(CCN(C)C)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C ZINC000004231202 556820615 /nfs/dbraw/zinc/82/06/15/556820615.db2.gz HREIEXKBQUXOJH-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN COc1cccc(CN2CCC[C@@H](c3cc(N)n4nc(-c5ccoc5C)cc4n3)C2)c1OC ZINC000019583107 556820797 /nfs/dbraw/zinc/82/07/97/556820797.db2.gz OXXZVBIBDGOKOC-QGZVFWFLSA-N 0 3 447.539 4.277 40 0 IIABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccc(Cl)c2)C1 ZINC000019591282 556826544 /nfs/dbraw/zinc/82/65/44/556826544.db2.gz OLQFSRRIDRNDHJ-RUZDIDTESA-N 0 3 434.971 4.368 40 0 IIABHN CC(C)Oc1ccccc1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 ZINC000019757033 556901174 /nfs/dbraw/zinc/90/11/74/556901174.db2.gz BIAPYBPAEKCUSM-UHFFFAOYSA-N 0 3 436.600 4.391 40 0 IIABHN CC(C)CNC(=O)c1cc([C@H]2CCN(Cc3cccnc3N(C)C)C2)nc2ccccc21 ZINC000019761840 556905575 /nfs/dbraw/zinc/90/55/75/556905575.db2.gz DAFFFHJXRKHREF-IBGZPJMESA-N 0 3 431.584 4.071 40 0 IIABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330464 556905717 /nfs/dbraw/zinc/90/57/17/556905717.db2.gz KPSGNWCGUSETNL-HOFKKMOUSA-N 0 3 429.564 4.402 40 0 IIABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371662 556940149 /nfs/dbraw/zinc/94/01/49/556940149.db2.gz KFTQCSVHKXLDCI-QGZVFWFLSA-N 0 3 433.478 4.256 40 0 IIABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371662 556940152 /nfs/dbraw/zinc/94/01/52/556940152.db2.gz KFTQCSVHKXLDCI-QGZVFWFLSA-N 0 3 433.478 4.256 40 0 IIABHN COc1ccccc1CN1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395959 556968294 /nfs/dbraw/zinc/96/82/94/556968294.db2.gz AYUDPSPPJMMXEP-AREMUKBSSA-N 0 3 433.552 4.263 40 0 IIABHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000085881194 557104243 /nfs/dbraw/zinc/10/42/43/557104243.db2.gz WUJSHHWRLPGLCB-OYLFLEFRSA-N 0 3 427.545 4.192 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@@H]3C2=O)c1 ZINC000101219291 557120730 /nfs/dbraw/zinc/12/07/30/557120730.db2.gz VFKCYELEJVTKDB-VXNXHJTFSA-N 0 3 428.488 4.363 40 0 IIABHN CCOc1ccc(CN2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1 ZINC000585166480 557128084 /nfs/dbraw/zinc/12/80/84/557128084.db2.gz FFJFSEGEYPQMSR-UHFFFAOYSA-N 0 3 429.564 4.458 40 0 IIABHN CC(C)CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145864 557175793 /nfs/dbraw/zinc/17/57/93/557175793.db2.gz ZEWCROUWWZFNRU-VXKWHMMOSA-N 0 3 428.598 4.149 40 0 IIABHN COc1cc(C)ccc1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C)[C@H]2Cc1ccccc1 ZINC000585261479 557195183 /nfs/dbraw/zinc/19/51/83/557195183.db2.gz DCODMOXFCAEXJX-AEFYUXCLSA-N 0 3 448.607 4.467 40 0 IIABHN CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000585261965 557198030 /nfs/dbraw/zinc/19/80/30/557198030.db2.gz VCXVIJFLNXVGBW-AREMUKBSSA-N 0 3 433.527 4.080 40 0 IIABHN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585263201 557203671 /nfs/dbraw/zinc/20/36/71/557203671.db2.gz KUXDIRZOKPTSJB-LUKWVAJMSA-N 0 3 444.547 4.122 40 0 IIABHN CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NC2CCN(C)CC2)CC1 ZINC000100658089 557268480 /nfs/dbraw/zinc/26/84/80/557268480.db2.gz QEEUTTDEIRXVJW-HDICACEKSA-N 0 3 427.614 4.135 40 0 IIABHN COc1ccc([C@@H]2C[C@@H](OC(=O)CCc3ccc(O)cc3)C[C@@H]3CCCCN32)cc1O ZINC000013407230 557322626 /nfs/dbraw/zinc/32/26/26/557322626.db2.gz TYTIBYQBVJUCGJ-BVSLBCMMSA-N 0 3 425.525 4.340 40 0 IIABHN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222602007 557359733 /nfs/dbraw/zinc/35/97/33/557359733.db2.gz AIERIGHJYTTYDN-KRWDZBQOSA-N 0 3 428.533 4.198 40 0 IIABHN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000014271793 557431001 /nfs/dbraw/zinc/43/10/01/557431001.db2.gz JOERLBOAYOWZKK-OUKQBFOZSA-N 0 3 446.576 4.128 40 0 IIABHN Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)ccc1Cl ZINC000223281557 557455281 /nfs/dbraw/zinc/45/52/81/557455281.db2.gz JHNXCOQVPLCIAO-FCHUYYIVSA-N 0 3 440.016 4.368 40 0 IIABHN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223290535 557456218 /nfs/dbraw/zinc/45/62/18/557456218.db2.gz ZVRDISUKUTZRKA-ZEQRLZLVSA-N 0 3 433.625 4.332 40 0 IIABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccc2c(c1)OCO2 ZINC000224004252 557542741 /nfs/dbraw/zinc/54/27/41/557542741.db2.gz FXQRKMYAAHNTRC-PKTZIBPZSA-N 0 3 441.516 4.173 40 0 IIABHN CC(C)NC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487965 557728886 /nfs/dbraw/zinc/72/88/86/557728886.db2.gz KCWCJRURAKGTDT-UHFFFAOYSA-N 0 3 428.580 4.319 40 0 IIABHN CCOC(=O)c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000225743818 557771732 /nfs/dbraw/zinc/77/17/32/557771732.db2.gz VGGBTZGWAOAMBC-UHFFFAOYSA-N 0 3 431.989 4.252 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257295823 568709316 /nfs/dbraw/zinc/70/93/16/568709316.db2.gz RABDHUWCEQBLKL-JOCHJYFZSA-N 0 3 429.564 4.162 40 0 IIABHN Cc1cc(C(F)F)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)[C@H]3Cc2ccccc2)n1 ZINC000257340031 568728466 /nfs/dbraw/zinc/72/84/66/568728466.db2.gz ZEFJHXRYWPKICP-HKXKVELOSA-N 0 3 442.554 4.214 40 0 IIABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccc(Cl)cc4)CC2)CN(C)C3)cc1 ZINC000306129069 568765457 /nfs/dbraw/zinc/76/54/57/568765457.db2.gz HTUQMELMMYPUHI-UHFFFAOYSA-N 0 3 437.975 4.044 40 0 IIABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329005239 568809120 /nfs/dbraw/zinc/80/91/20/568809120.db2.gz KXELZKFVQUEGCY-UHFFFAOYSA-N 0 3 435.881 4.377 40 0 IIABHN CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019739236 569236648 /nfs/dbraw/zinc/23/66/48/569236648.db2.gz ZQDQQLRQIKMJSW-VWLOTQADSA-N 0 3 425.573 4.300 40 0 IIABHN Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCCN4)n3)CCCC2)c1 ZINC000019760357 569237502 /nfs/dbraw/zinc/23/75/02/569237502.db2.gz DEWPVNYMAPEURN-QFIPXVFZSA-N 0 3 435.616 4.054 40 0 IIABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)cc1 ZINC000019765155 569238791 /nfs/dbraw/zinc/23/87/91/569238791.db2.gz QYIFOOQLKQTABV-NRFANRHFSA-N 0 3 443.551 4.375 40 0 IIABHN Cc1nnc2n1C[C@H](c1cccc(C(=O)N(Cc3ccccc3)C3CCN(C)CC3)c1)CC2 ZINC000019698225 569326860 /nfs/dbraw/zinc/32/68/60/569326860.db2.gz JGINMIULQKMTSM-XMMPIXPASA-N 0 3 443.595 4.053 40 0 IIABHN COc1ccccc1CNC(=O)c1cnc(C2CCN(CCc3ccccc3)CC2)nc1C ZINC000019766565 569329072 /nfs/dbraw/zinc/32/90/72/569329072.db2.gz SCVQWJCTOZEEQJ-UHFFFAOYSA-N 0 3 444.579 4.146 40 0 IIABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CCCCC3)nn2)cc1 ZINC000008298882 291378839 /nfs/dbraw/zinc/37/88/39/291378839.db2.gz GVEIWURQOSHIFV-ZTCOLXNVSA-N 0 3 449.643 4.402 40 0 biogenic,in-vitro IIABHN CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1 ZINC000004237226 291381761 /nfs/dbraw/zinc/38/17/61/291381761.db2.gz JKLBBBVROMQEOV-PZJWPPBQSA-N 0 3 448.611 4.038 40 0 biogenic,in-vitro IIABHN COc1cc(CNCCSc2nnnn2-c2ccccc2)ccc1OCc1ccccc1 ZINC000022107765 522453433 /nfs/dbraw/zinc/45/34/33/522453433.db2.gz VZZIPROKGBGYOW-UHFFFAOYSA-N 0 3 447.564 4.132 40 0 IIABHN CN1CCC(NC(=O)C2(Cc3ccccc3-c3ccc(F)c(F)c3)CCOCC2)CC1 ZINC000012231761 523770581 /nfs/dbraw/zinc/77/05/81/523770581.db2.gz VGCIBJFAEXHULE-UHFFFAOYSA-N 0 3 428.523 4.182 40 0 IIABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000036006999 524277332 /nfs/dbraw/zinc/27/73/32/524277332.db2.gz QDYNHOKMRBDKAV-QTJGBDASSA-N 0 3 428.488 4.369 40 0 IIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1 ZINC000072352027 525305826 /nfs/dbraw/zinc/30/58/26/525305826.db2.gz FJEKGEXKXLOOOZ-IBGZPJMESA-N 0 3 438.547 4.381 40 0 IIABHN O=C(Nc1ccc(I)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834837 556622843 /nfs/dbraw/zinc/62/28/43/556622843.db2.gz QTOSMBKLRGTBKQ-HNNXBMFYSA-N 0 3 438.284 4.281 40 0 IIABHN COc1ccccc1NC(=O)CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964035 556631036 /nfs/dbraw/zinc/63/10/36/556631036.db2.gz LEFVWACNHSJDNG-QFIPXVFZSA-N 0 3 440.503 4.204 40 0 IIABHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000039964164 556631378 /nfs/dbraw/zinc/63/13/78/556631378.db2.gz PPHROMOIVDKWAR-JOCHJYFZSA-N 0 3 425.492 4.165 40 0 IIABHN CC(C)(C)c1n[nH]cc1CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019083491 556697868 /nfs/dbraw/zinc/69/78/68/556697868.db2.gz HZLFJNFOZHLZEC-VWLOTQADSA-N 0 3 445.611 4.414 40 0 IIABHN COc1cccc(CN2CCC(O)(Cn3cc(C)cc4cc(C(F)(F)F)nc3-4)CC2)c1 ZINC000019124867 556702797 /nfs/dbraw/zinc/70/27/97/556702797.db2.gz CJLKXBAIQRODFY-UHFFFAOYSA-N 0 3 433.474 4.351 40 0 IIABHN COc1ccc(C)cc1CN1CCC([C@@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000019133320 556705066 /nfs/dbraw/zinc/70/50/66/556705066.db2.gz YJCSPSYDKCRYFQ-RUZDIDTESA-N 0 3 430.552 4.177 40 0 IIABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)COc3ccc(C)cc3C)cc2)n1 ZINC000257243249 556710737 /nfs/dbraw/zinc/71/07/37/556710737.db2.gz IGBCMLVOVQYHDB-DEOSSOPVSA-N 0 3 437.584 4.067 40 0 IIABHN Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)cc2c1 ZINC000019221142 556715378 /nfs/dbraw/zinc/71/53/78/556715378.db2.gz GIRGQYVMWNXUES-QHCPKHFHSA-N 0 3 445.567 4.091 40 0 IIABHN Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)cc2c1 ZINC000019221142 556715380 /nfs/dbraw/zinc/71/53/80/556715380.db2.gz GIRGQYVMWNXUES-QHCPKHFHSA-N 0 3 445.567 4.091 40 0 IIABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(-c5ccccc5C)cc4)C[C@H]32)c(OC)n1 ZINC000019237436 556722157 /nfs/dbraw/zinc/72/21/57/556722157.db2.gz ZXFVLFLCZXCRIM-YEEURNOCSA-N 0 3 445.563 4.199 40 0 IIABHN NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000019348341 556743697 /nfs/dbraw/zinc/74/36/97/556743697.db2.gz XCKUKWZWCWOVRZ-XMMPIXPASA-N 0 3 438.934 4.246 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccccn2)N1 ZINC000019349456 556744493 /nfs/dbraw/zinc/74/44/93/556744493.db2.gz KBDSMBDAVYCWRS-WNCULLNHSA-N 0 3 442.563 4.084 40 0 IIABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376355 556752107 /nfs/dbraw/zinc/75/21/07/556752107.db2.gz HMHJSCHUAWZGCF-BJKOFHAPSA-N 0 3 431.532 4.159 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000101192618 556758243 /nfs/dbraw/zinc/75/82/43/556758243.db2.gz GLVBQKOMRGPEFT-ZLNRFVROSA-N 0 3 432.451 4.276 40 0 IIABHN CCCCc1ncc(CN(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cn1 ZINC000019502365 556773319 /nfs/dbraw/zinc/77/33/19/556773319.db2.gz WUMPSEWHTXYULA-UHFFFAOYSA-N 0 3 436.600 4.374 40 0 IIABHN CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(Cc2cnc(CC)nc2)C1 ZINC000019523325 556780858 /nfs/dbraw/zinc/78/08/58/556780858.db2.gz NVFABMTYTDHDNR-VWLOTQADSA-N 0 3 434.609 4.338 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001353333 556781484 /nfs/dbraw/zinc/78/14/84/556781484.db2.gz OWEGFGSWWQMUBW-QFIPXVFZSA-N 0 3 436.531 4.494 40 0 IIABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524765 556782169 /nfs/dbraw/zinc/78/21/69/556782169.db2.gz ZRUNMDXZNHPDSO-RPWUZVMVSA-N 0 3 436.552 4.054 40 0 IIABHN CCN(CC)CC(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019526319 556784307 /nfs/dbraw/zinc/78/43/07/556784307.db2.gz OZDYAYYBWFFIMR-UHFFFAOYSA-N 0 3 444.583 4.330 40 0 IIABHN CCN1CCN(Cc2ccc(OC)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527708 556787033 /nfs/dbraw/zinc/78/70/33/556787033.db2.gz YHDKGBWEJRLGHW-XMMPIXPASA-N 0 3 429.564 4.280 40 0 IIABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532679 556792833 /nfs/dbraw/zinc/79/28/33/556792833.db2.gz KVYPZZFLYAOKGP-VXKWHMMOSA-N 0 3 431.960 4.431 40 0 IIABHN CCOc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019533800 556793563 /nfs/dbraw/zinc/79/35/63/556793563.db2.gz OFJQSVCJCGQEHM-NRFANRHFSA-N 0 3 447.583 4.392 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001378308 556795264 /nfs/dbraw/zinc/79/52/64/556795264.db2.gz FCLWJWQHEJIHNM-JOCHJYFZSA-N 0 3 436.531 4.494 40 0 IIABHN Cc1c(CN2CCC[C@@](Cc3ccc(-c4ccccc4F)cc3)(C(=O)N(C)C)C2)cnn1C ZINC000019553614 556797318 /nfs/dbraw/zinc/79/73/18/556797318.db2.gz BCLDOEDWNZBNQU-MHZLTWQESA-N 0 3 448.586 4.448 40 0 IIABHN COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(Cc4ccccn4)C[C@@H]32)cc1 ZINC000019557770 556799744 /nfs/dbraw/zinc/79/97/44/556799744.db2.gz ZNEJXYKVPREJQT-TWJOJJKGSA-N 0 3 427.548 4.221 40 0 IIABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019591316 556826527 /nfs/dbraw/zinc/82/65/27/556826527.db2.gz QHVLJZOLQGTWFR-HHHXNRCGSA-N 0 3 429.564 4.328 40 0 IIABHN CC(=O)Oc1ccc(CN2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340878 556912905 /nfs/dbraw/zinc/91/29/05/556912905.db2.gz PYAOHIZCGSZWLI-QGZVFWFLSA-N 0 3 432.446 4.361 40 0 IIABHN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(Cc4cccc(OC)c4)C3)c2)cn1 ZINC000072353599 556927365 /nfs/dbraw/zinc/92/73/65/556927365.db2.gz USDOZQYCZSXUPX-OAQYLSRUSA-N 0 3 430.552 4.200 40 0 IIABHN CN(CCO)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccncc1 ZINC000072380043 556957289 /nfs/dbraw/zinc/95/72/89/556957289.db2.gz YPTGQLNHZIVRTI-FQEVSTJZSA-N 0 3 437.609 4.348 40 0 IIABHN C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104157 557036899 /nfs/dbraw/zinc/03/68/99/557036899.db2.gz JODOVSBUUKNLRL-UQBPGWFLSA-N 0 3 448.592 4.017 40 0 IIABHN c1[nH]nc2cccc(C[C@H]3COCCN(Cc4cccc(OCc5ccccn5)c4)C3)c12 ZINC000585261951 557198052 /nfs/dbraw/zinc/19/80/52/557198052.db2.gz KKWQRKTZRAJPJH-OAQYLSRUSA-N 0 3 428.536 4.228 40 0 IIABHN Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](Oc4cc(C)c(C)c(C)c4)C3)cc2)n1 ZINC000585268721 557208645 /nfs/dbraw/zinc/20/86/45/557208645.db2.gz QHFZHQCAZUZLSS-SVBPBHIXSA-N 0 3 449.595 4.128 40 0 IIABHN Cc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cc(C)cc(C(C)C)c3)C2)cc1 ZINC000585268844 557210396 /nfs/dbraw/zinc/21/03/96/557210396.db2.gz UXMKZBAOMQPRFC-SVBPBHIXSA-N 0 3 449.595 4.326 40 0 IIABHN O=C(NCc1nc(-c2ccccc2Cl)no1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000219426021 557244823 /nfs/dbraw/zinc/24/48/23/557244823.db2.gz LDSIYUPDAHUXKK-UHFFFAOYSA-N 0 3 428.895 4.058 40 0 IIABHN Fc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000022929951 557274291 /nfs/dbraw/zinc/27/42/91/557274291.db2.gz YERMKNHPRHJIIY-RUZDIDTESA-N 0 3 448.590 4.095 40 0 IIABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000223257715 557451850 /nfs/dbraw/zinc/45/18/50/557451850.db2.gz OJLAHLYDDXYKAO-SFTDATJTSA-N 0 3 448.621 4.016 40 0 IIABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259369 557452085 /nfs/dbraw/zinc/45/20/85/557452085.db2.gz SHVGCQNJGJABON-NHCUHLMSSA-N 0 3 443.979 4.199 40 0 IIABHN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223290368 557456281 /nfs/dbraw/zinc/45/62/81/557456281.db2.gz ZVRDISUKUTZRKA-DNQXCXABSA-N 0 3 433.625 4.332 40 0 IIABHN CCCNC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487920 557728844 /nfs/dbraw/zinc/72/88/44/557728844.db2.gz XWFFKCQDXPCQCL-UHFFFAOYSA-N 0 3 428.580 4.320 40 0 IIABHN COC(=O)c1cc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1Cl ZINC000225773035 557775605 /nfs/dbraw/zinc/77/56/05/557775605.db2.gz QEHQBDFBVPQEIQ-UHFFFAOYSA-N 0 3 447.988 4.086 40 0 IIABHN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000257202136 568666027 /nfs/dbraw/zinc/66/60/27/568666027.db2.gz AKQFAALKVUYOJB-LPPUWEFUSA-N 0 3 448.567 4.187 40 0 IIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n1 ZINC000257215347 568672300 /nfs/dbraw/zinc/67/23/00/568672300.db2.gz CPRUALMFIMSRDH-LJQANCHMSA-N 0 3 434.515 4.231 40 0 IIABHN COCCc1ncc(CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)cn1 ZINC000257253412 568690124 /nfs/dbraw/zinc/69/01/24/568690124.db2.gz JYWDSKPZQMBAAB-UHFFFAOYSA-N 0 3 436.535 4.026 40 0 IIABHN COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCN3CCCC3)CCOCC2)c1 ZINC000257292446 568707931 /nfs/dbraw/zinc/70/79/31/568707931.db2.gz QLNAFNUKUTTWIW-UHFFFAOYSA-N 0 3 440.559 4.053 40 0 IIABHN Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 ZINC000257316626 568718180 /nfs/dbraw/zinc/71/81/80/568718180.db2.gz VGJJEBOMMXQKPU-UHFFFAOYSA-N 0 3 442.567 4.082 40 0 IIABHN CCN1CCC[C@@H]1CNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329809 568724020 /nfs/dbraw/zinc/72/40/20/568724020.db2.gz XLPVYXJHZACUET-ATIYNZHBSA-N 0 3 440.559 4.194 40 0 IIABHN COc1cccc(CN2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257330690 568724641 /nfs/dbraw/zinc/72/46/41/568724641.db2.gz XPMURHJKHFMIBP-JOCHJYFZSA-N 0 3 436.600 4.037 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3cccc(Cl)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129076 568765435 /nfs/dbraw/zinc/76/54/35/568765435.db2.gz HTWUOOZYSMRVNT-URXFXBBRSA-N 0 3 426.992 4.346 40 0 IIABHN C[C@@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000248125201 569207152 /nfs/dbraw/zinc/20/71/52/569207152.db2.gz UUEVYYMIERPHLK-BPAFIMBUSA-N 0 3 446.507 4.260 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000019560941 569226976 /nfs/dbraw/zinc/22/69/76/569226976.db2.gz OOTFJOFRMSALTD-SQJMNOBHSA-N 0 3 437.584 4.359 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C1)CO2 ZINC000019704671 569233623 /nfs/dbraw/zinc/23/36/23/569233623.db2.gz NGBVPGSXJRRJDN-GOSISDBHSA-N 0 3 435.499 4.402 40 0 IIABHN CCN(C(=O)c1cccc(Cn2cccn2)c1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711801 569235094 /nfs/dbraw/zinc/23/50/94/569235094.db2.gz GFNKLXIEDXRNEJ-IZZNHLLZSA-N 0 3 446.595 4.375 40 0 IIABHN COc1ccccc1CN1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765348 569238847 /nfs/dbraw/zinc/23/88/47/569238847.db2.gz OBXSALRUSGZSJK-NRFANRHFSA-N 0 3 448.542 4.242 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000009075456 569293572 /nfs/dbraw/zinc/29/35/72/569293572.db2.gz MSOIFKSYWYSVLK-VXNXHJTFSA-N 0 3 444.487 4.145 40 0 IIABHN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2cccc(OC)c2)CC1 ZINC000019700199 569327200 /nfs/dbraw/zinc/32/72/00/569327200.db2.gz KFVFLZPQKSIJQU-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000329048250 569583165 /nfs/dbraw/zinc/58/31/65/569583165.db2.gz UIOYAQJJHGEEHP-UHFFFAOYSA-N 0 3 426.362 4.932 40 0 IIABHN COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(C)cc2)cc(OC)c1OC ZINC000035290817 522103863 /nfs/dbraw/zinc/10/38/63/522103863.db2.gz XSRKVQSUSHLOQO-FRIKZZABSA-N 0 3 438.568 4.336 40 0 IIABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(F)cc4)C(=O)[C@]32C)cc1 ZINC000036037782 525428421 /nfs/dbraw/zinc/42/84/21/525428421.db2.gz NMDGAVCPYORKSW-RQTOMXEWSA-N 0 3 432.451 4.276 40 0 IIABHN O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503175 527449120 /nfs/dbraw/zinc/44/91/20/527449120.db2.gz VOFLONGKSYHCTG-PGRDOPGGSA-N 0 3 426.516 4.373 40 0 biogenic,in-vitro IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)cc2)CC1 ZINC000032125421 556534878 /nfs/dbraw/zinc/53/48/78/556534878.db2.gz DTSHNJYDEPLOAD-UHFFFAOYSA-N 0 3 448.592 4.117 40 0 IIABHN COc1cccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1OC ZINC000015890202 556561619 /nfs/dbraw/zinc/56/16/19/556561619.db2.gz YETHDVTXEXWSPK-DEOSSOPVSA-N 0 3 436.596 4.397 40 0 IIABHN COc1cccc(NC(=O)CC2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)c1 ZINC000039963998 556631131 /nfs/dbraw/zinc/63/11/31/556631131.db2.gz IHADKDGSFVQAMW-HSZRJFAPSA-N 0 3 440.503 4.470 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@@H]2O ZINC000019084455 556698442 /nfs/dbraw/zinc/69/84/42/556698442.db2.gz IKJLLNCWLKORQM-GOTSBHOMSA-N 0 3 425.569 4.377 40 0 IIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1Cl ZINC000013658746 556708112 /nfs/dbraw/zinc/70/81/12/556708112.db2.gz KIOTYXJJIYNXKL-FSSWDIPSSA-N 0 3 434.879 4.405 40 0 IIABHN Cc1ccc(CO)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019214625 556711345 /nfs/dbraw/zinc/71/13/45/556711345.db2.gz CFALHJLATMEDRM-DNQXCXABSA-N 0 3 446.522 4.196 40 0 IIABHN COc1ccc2[nH]c(C)c([C@H](O)CN3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219204 556713824 /nfs/dbraw/zinc/71/38/24/556713824.db2.gz WJEYBZOIXSLARQ-DHIUTWEWSA-N 0 3 436.552 4.177 40 0 IIABHN CN1C(=O)CCC[C@]12CN(Cc1cccc(Oc3ncccn3)c1)C[C@H]2c1ccc(F)cc1 ZINC000257308131 556718199 /nfs/dbraw/zinc/71/81/99/556718199.db2.gz TVNHMLKJSNVTPB-JYFHCDHNSA-N 0 3 446.526 4.389 40 0 IIABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000880635 556732508 /nfs/dbraw/zinc/73/25/08/556732508.db2.gz KHDFBIZCIOWBGH-UHFFFAOYSA-N 0 3 426.561 4.045 40 0 IIABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346073 556742670 /nfs/dbraw/zinc/74/26/70/556742670.db2.gz JZQHDJOZFKUMQA-SFTDATJTSA-N 0 3 430.907 4.345 40 0 IIABHN O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 ZINC000019349203 556744177 /nfs/dbraw/zinc/74/41/77/556744177.db2.gz XUONSORQRSVRCB-TZBSWOFLSA-N 0 3 433.502 4.490 40 0 IIABHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002292071 556760487 /nfs/dbraw/zinc/76/04/87/556760487.db2.gz WUJSHHWRLPGLCB-OWJWWREXSA-N 0 3 427.545 4.192 40 0 IIABHN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019503561 556775256 /nfs/dbraw/zinc/77/52/56/556775256.db2.gz KDIIEAGAOVDXHO-HHHXNRCGSA-N 0 3 428.580 4.495 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001353344 556781492 /nfs/dbraw/zinc/78/14/92/556781492.db2.gz JPRPWQFPEPZAAV-HXUWFJFHSA-N 0 3 436.531 4.494 40 0 IIABHN CCn1cc(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019524750 556782109 /nfs/dbraw/zinc/78/21/09/556782109.db2.gz FQRDEWLBQVCVCM-BKMJKUGQSA-N 0 3 432.568 4.093 40 0 IIABHN CCOCc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)ccc1OC ZINC000019531125 556791615 /nfs/dbraw/zinc/79/16/15/556791615.db2.gz KFIKAVBIJHPOCM-UHFFFAOYSA-N 0 3 434.540 4.169 40 0 IIABHN COc1cccc(CN2CCC[C@H](c3cc(N)n4nc(-c5ccoc5C)cc4n3)C2)c1OC ZINC000019583110 556820725 /nfs/dbraw/zinc/82/07/25/556820725.db2.gz OXXZVBIBDGOKOC-KRWDZBQOSA-N 0 3 447.539 4.277 40 0 IIABHN COc1cccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1OC ZINC000019584588 556821990 /nfs/dbraw/zinc/82/19/90/556821990.db2.gz RMFNCAIFODIQJH-LJQANCHMSA-N 0 3 433.556 4.001 40 0 IIABHN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2Cc2cn(CCCO)c3ccccc23)n1 ZINC000019690817 556846496 /nfs/dbraw/zinc/84/64/96/556846496.db2.gz CJSKBRZYVNJBOU-RUZDIDTESA-N 0 3 442.567 4.103 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccn2)CC1 ZINC000019700183 556859940 /nfs/dbraw/zinc/85/99/40/556859940.db2.gz KXRRUDLECYESRK-UHFFFAOYSA-N 0 3 428.580 4.493 40 0 IIABHN Cc1cc2nc(C3CCN(Cc4cc5c(cc4C)OCO5)CC3)cc(C(F)(F)F)n2n1 ZINC000072340800 556912510 /nfs/dbraw/zinc/91/25/10/556912510.db2.gz CXFMGONDJUKOHY-UHFFFAOYSA-N 0 3 432.446 4.473 40 0 IIABHN CNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352525 556924485 /nfs/dbraw/zinc/92/44/85/556924485.db2.gz SSCGGAIJZPMTJX-HNNXBMFYSA-N 0 3 434.565 4.146 40 0 IIABHN CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cn(C(C)=O)c3ccccc23)C1 ZINC000072361015 556933227 /nfs/dbraw/zinc/93/32/27/556933227.db2.gz WKBSYPSINQRZSJ-MRXNPFEDSA-N 0 3 432.549 4.260 40 0 IIABHN O=C(c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cccnc1)N1CCOCC1 ZINC000072380062 556957353 /nfs/dbraw/zinc/95/73/53/556957353.db2.gz WVGOGHSDAYNYPN-HXUWFJFHSA-N 0 3 435.593 4.366 40 0 IIABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585103776 557036437 /nfs/dbraw/zinc/03/64/37/557036437.db2.gz PTVPPYGBCJAFFH-KRWDZBQOSA-N 0 3 449.929 4.157 40 0 IIABHN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2OC)CC1 ZINC000585166174 557128792 /nfs/dbraw/zinc/12/87/92/557128792.db2.gz CQJBYIDLGDSYTQ-UHFFFAOYSA-N 0 3 429.564 4.328 40 0 IIABHN O=C1CCC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261677 557195399 /nfs/dbraw/zinc/19/53/99/557195399.db2.gz CICCXUGRKCBGPY-RPLLCQBOSA-N 0 3 445.538 4.438 40 0 IIABHN c1[nH]nc2cccc(C[C@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)c12 ZINC000585261964 557198106 /nfs/dbraw/zinc/19/81/06/557198106.db2.gz QSQMYDMVQZXZCX-OAQYLSRUSA-N 0 3 428.536 4.228 40 0 IIABHN COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC[C@H]3CCCN(C)C3)CCCO2)cc1 ZINC000585262574 557202538 /nfs/dbraw/zinc/20/25/38/557202538.db2.gz UNLVBCPRLYGXCA-FQRUVTKNSA-N 0 3 440.559 4.051 40 0 IIABHN c1nc(Nc2cccc(C3CCN(CCN4CCOCC4)CC3)n2)sc1-c1ccccc1 ZINC000585263286 557203977 /nfs/dbraw/zinc/20/39/77/557203977.db2.gz UYJGCZMHJWLKGG-UHFFFAOYSA-N 0 3 449.624 4.460 40 0 IIABHN O=C(Nc1ccc(I)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063571 557214775 /nfs/dbraw/zinc/21/47/75/557214775.db2.gz RRWHXDCEMZHIFB-UHFFFAOYSA-N 0 3 438.284 4.281 40 0 IIABHN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(OC)c1 ZINC000022649822 557260673 /nfs/dbraw/zinc/26/06/73/557260673.db2.gz PLNHKVGXNMNKMD-UHFFFAOYSA-N 0 3 431.536 4.278 40 0 IIABHN Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929892 557274211 /nfs/dbraw/zinc/27/42/11/557274211.db2.gz KCUJPNVTTYCCAU-RUZDIDTESA-N 0 3 448.590 4.095 40 0 IIABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102196368 557458068 /nfs/dbraw/zinc/45/80/68/557458068.db2.gz OJWSVBCPLATMAB-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000017097595 557479550 /nfs/dbraw/zinc/47/95/50/557479550.db2.gz UKOYUSKSOLJZPK-UHFFFAOYSA-N 0 3 431.536 4.035 40 0 IIABHN O=C(NCCCN1CCc2ccccc2C1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000225488290 557728920 /nfs/dbraw/zinc/72/89/20/557728920.db2.gz DWIZRSWRFDFBKL-MOHJPFBDSA-N 0 3 445.588 4.084 40 0 IIABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)CC1 ZINC000225772076 557775610 /nfs/dbraw/zinc/77/56/10/557775610.db2.gz CDIZJHHIFPLMPB-UHFFFAOYSA-N 0 3 434.403 4.409 40 0 IIABHN Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008635783 565100706 /nfs/dbraw/zinc/10/07/06/565100706.db2.gz CDCFOTPQJYMECP-NNWRFLSQSA-N 0 3 431.609 4.252 40 0 biogenic,in-vitro IIABHN Cc1nc2cc([C@@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201498 568665823 /nfs/dbraw/zinc/66/58/23/568665823.db2.gz AHXQQVAKUYXRLP-QPPBQGQZSA-N 0 3 435.616 4.394 40 0 IIABHN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)CC1 ZINC000257298041 568710239 /nfs/dbraw/zinc/71/02/39/568710239.db2.gz RJWGJXSBZIDIIO-HXUWFJFHSA-N 0 3 438.547 4.237 40 0 IIABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n1 ZINC000257305565 568713824 /nfs/dbraw/zinc/71/38/24/568713824.db2.gz SQOIFSLOSIIMRZ-IBGZPJMESA-N 0 3 434.515 4.231 40 0 IIABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4cccc(Cl)c4)CC2)CN(C)C3)cc1 ZINC000306125135 568763782 /nfs/dbraw/zinc/76/37/82/568763782.db2.gz CHYRCEUYLMUELH-UHFFFAOYSA-N 0 3 437.975 4.044 40 0 IIABHN C[C@@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000248125205 569207200 /nfs/dbraw/zinc/20/72/00/569207200.db2.gz UUEVYYMIERPHLK-ZTNFWEORSA-N 0 3 446.507 4.260 40 0 IIABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)CC2)c1 ZINC000009063076 569219774 /nfs/dbraw/zinc/21/97/74/569219774.db2.gz VAKIEXWPELXVDB-UHFFFAOYSA-N 0 3 442.563 4.171 40 0 IIABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC000019237791 569226419 /nfs/dbraw/zinc/22/64/19/569226419.db2.gz IRSHULNKOTXEDY-CJFMBICVSA-N 0 3 430.552 4.177 40 0 IIABHN COc1cccc(-c2ccc([C@H]3CN(C(=O)c4cccc(CN(C)C)c4)CCO3)nc2)c1 ZINC000019693579 569228956 /nfs/dbraw/zinc/22/89/56/569228956.db2.gz WGNPHVPJISRTIY-RUZDIDTESA-N 0 3 431.536 4.033 40 0 IIABHN COc1ccc(CN2C(=O)CCCC[C@H]3N(Cc4cccnc4N(C)C)CC[C@]32C)cc1 ZINC000019713382 569235650 /nfs/dbraw/zinc/23/56/50/569235650.db2.gz RYQUJNJPGOBTAH-ZEQKJWHPSA-N 0 3 436.600 4.092 40 0 IIABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32C)cc1 ZINC000009109899 569293855 /nfs/dbraw/zinc/29/38/55/569293855.db2.gz ACHWGWKDDQUFBY-JQYIIUTOSA-N 0 3 444.487 4.145 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000012017433 569303504 /nfs/dbraw/zinc/30/35/04/569303504.db2.gz WMUKCJWSARQGPN-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN CN(C)CCNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328968503 569582895 /nfs/dbraw/zinc/58/28/95/569582895.db2.gz DAKMMPONTGOURQ-UHFFFAOYSA-N 0 3 435.425 4.898 40 0 IIABHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182754 526754295 /nfs/dbraw/zinc/75/42/95/526754295.db2.gz NWTKMFHFVNJVJQ-KMQSCTNJSA-N 0 3 428.577 4.041 40 0 IIABHN COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000000607779 555510760 /nfs/dbraw/zinc/51/07/60/555510760.db2.gz GYKFWCDBQAFCLJ-RTWAWAEBSA-N 0 3 448.972 4.022 40 0 in-man IIABHN O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030942137 556516163 /nfs/dbraw/zinc/51/61/63/556516163.db2.gz XTSOEJJPQUAFQW-OAQYLSRUSA-N 0 3 446.526 4.001 40 0 IIABHN COc1cccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1OC ZINC000015890200 556561679 /nfs/dbraw/zinc/56/16/79/556561679.db2.gz YETHDVTXEXWSPK-XMMPIXPASA-N 0 3 436.596 4.397 40 0 IIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1Cl ZINC000100901551 556599883 /nfs/dbraw/zinc/59/98/83/556599883.db2.gz KIOTYXJJIYNXKL-VSKRKVRLSA-N 0 3 434.879 4.405 40 0 IIABHN NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401409 556606014 /nfs/dbraw/zinc/60/60/14/556606014.db2.gz FOTIMRMKQDCRBT-UHFFFAOYSA-N 0 3 448.947 4.038 40 0 IIABHN NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000016450002 556609193 /nfs/dbraw/zinc/60/91/93/556609193.db2.gz BHHIWBUOEPEIKV-UHFFFAOYSA-N 0 3 448.947 4.038 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000100932882 556611664 /nfs/dbraw/zinc/61/16/64/556611664.db2.gz ZOJIDIFKCOZITF-SGNDLWITSA-N 0 3 428.488 4.309 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000100984736 556633927 /nfs/dbraw/zinc/63/39/27/556633927.db2.gz UNADECRQZGYGGY-SMIHKQSGSA-N 0 3 444.487 4.014 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855650 556671897 /nfs/dbraw/zinc/67/18/97/556671897.db2.gz WHBQLHPYLZUFDU-XMSQKQJNSA-N 0 3 426.532 4.465 40 0 IIABHN COc1ccc(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1Cl ZINC000044874081 556673709 /nfs/dbraw/zinc/67/37/09/556673709.db2.gz CIPUXOLGQXREJP-UHFFFAOYSA-N 0 3 443.396 4.466 40 0 IIABHN COc1coc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)c1OC ZINC000045324583 556686038 /nfs/dbraw/zinc/68/60/38/556686038.db2.gz DYWLTFCIURFJLX-UHFFFAOYSA-N 0 3 432.948 4.266 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000019081868 556696837 /nfs/dbraw/zinc/69/68/37/556696837.db2.gz WERUYJYCNVSCAS-WMZHIEFXSA-N 0 3 425.573 4.214 40 0 IIABHN COc1ccccc1-c1ccccc1CN1CCOC[C@H](Cc2cn3ccnc3cn2)C1 ZINC000257337684 556706728 /nfs/dbraw/zinc/70/67/28/556706728.db2.gz YTYHRZSALNWZML-HXUWFJFHSA-N 0 3 428.536 4.096 40 0 IIABHN COc1c(C)cccc1CN1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235964 556720426 /nfs/dbraw/zinc/72/04/26/556720426.db2.gz DEOLHNUHWQAPSQ-HXUWFJFHSA-N 0 3 446.599 4.174 40 0 IIABHN COc1c(C)cccc1CN1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019235963 556720524 /nfs/dbraw/zinc/72/05/24/556720524.db2.gz DYUBELNMYPLFLG-IBGZPJMESA-N 0 3 432.572 4.164 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccn2)N1 ZINC000019349455 556744342 /nfs/dbraw/zinc/74/43/42/556744342.db2.gz PHLLBDXGAGKXQL-WNCULLNHSA-N 0 3 442.563 4.084 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2ccccn2)N1 ZINC000019402003 556753942 /nfs/dbraw/zinc/75/39/42/556753942.db2.gz HRIZAMBNSMIJIC-RPLLCQBOSA-N 0 3 442.563 4.084 40 0 IIABHN O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019406432 556755012 /nfs/dbraw/zinc/75/50/12/556755012.db2.gz ZLBRRLXCIJPWHC-OAQYLSRUSA-N 0 3 440.613 4.088 40 0 IIABHN O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019406432 556755015 /nfs/dbraw/zinc/75/50/15/556755015.db2.gz ZLBRRLXCIJPWHC-OAQYLSRUSA-N 0 3 440.613 4.088 40 0 IIABHN O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019406432 556755020 /nfs/dbraw/zinc/75/50/20/556755020.db2.gz ZLBRRLXCIJPWHC-OAQYLSRUSA-N 0 3 440.613 4.088 40 0 IIABHN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@@H](C)N4CCCCC4)C3)cc2n1 ZINC000019452378 556763346 /nfs/dbraw/zinc/76/33/46/556763346.db2.gz NYFITACOMNLAHY-CVEARBPZSA-N 0 3 437.510 4.062 40 0 IIABHN CCc1ncc(CN2CCC[C@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)cn1 ZINC000019523376 556780736 /nfs/dbraw/zinc/78/07/36/556780736.db2.gz XIJCZTDGBULWPA-HHHXNRCGSA-N 0 3 443.595 4.014 40 0 IIABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524767 556782049 /nfs/dbraw/zinc/78/20/49/556782049.db2.gz ZRUNMDXZNHPDSO-ZEQRLZLVSA-N 0 3 436.552 4.054 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1F ZINC000001378312 556795192 /nfs/dbraw/zinc/79/51/92/556795192.db2.gz UMKYGHJTVFXOLK-HXUWFJFHSA-N 0 3 436.531 4.494 40 0 IIABHN COc1cccc(C2(NCc3cn(CC(=O)N4CCOCC4)c4ccccc34)CCCC2)c1 ZINC000019565006 556805908 /nfs/dbraw/zinc/80/59/08/556805908.db2.gz IQWVCRMFIOVAEW-UHFFFAOYSA-N 0 3 447.579 4.068 40 0 IIABHN COc1cccc(CN2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c1OC ZINC000019567569 556807880 /nfs/dbraw/zinc/80/78/80/556807880.db2.gz IELRAGLQGLDTAN-HHHXNRCGSA-N 0 3 430.548 4.291 40 0 IIABHN CN(C)CCN(Cc1ccccc1F)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019582613 556820440 /nfs/dbraw/zinc/82/04/40/556820440.db2.gz BRFNRFGMBGLHJS-UHFFFAOYSA-N 0 3 429.499 4.035 40 0 IIABHN CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCN1CC ZINC000004217052 556821194 /nfs/dbraw/zinc/82/11/94/556821194.db2.gz RHYWVDWRGBLPLS-NRFANRHFSA-N 0 3 428.646 4.106 40 0 IIABHN COc1cccc(OC)c1CN1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584418 556821822 /nfs/dbraw/zinc/82/18/22/556821822.db2.gz WTARYLFPVVWYIU-LJQANCHMSA-N 0 3 433.556 4.001 40 0 IIABHN CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019591330 556826444 /nfs/dbraw/zinc/82/64/44/556826444.db2.gz JTZKDCMGGLNUOC-HHHXNRCGSA-N 0 3 429.564 4.328 40 0 IIABHN COc1ccc2c(CN3CC[C@H](c4c5cccnc5sc4C(=O)N(C)C)C3)cn(C)c2c1 ZINC000072352526 556924578 /nfs/dbraw/zinc/92/45/78/556924578.db2.gz CWTLFUDIIIISLK-INIZCTEOSA-N 0 3 448.592 4.488 40 0 IIABHN CC(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC1CCN(C)CC1 ZINC000072370790 556936528 /nfs/dbraw/zinc/93/65/28/556936528.db2.gz XTAPYDBXXLOBNE-IBGZPJMESA-N 0 3 427.614 4.059 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371470 556939004 /nfs/dbraw/zinc/93/90/04/556939004.db2.gz LYVCCSCZJDKELJ-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371470 556939006 /nfs/dbraw/zinc/93/90/06/556939006.db2.gz LYVCCSCZJDKELJ-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN COCCc1ncc(CN2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1 ZINC000072375037 556950428 /nfs/dbraw/zinc/95/04/28/556950428.db2.gz VTHOUXAQCHNVKO-OAQYLSRUSA-N 0 3 432.572 4.196 40 0 IIABHN Cc1cccnc1Nc1cccc([C@@H]2CCCN(Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000072376081 556953783 /nfs/dbraw/zinc/95/37/83/556953783.db2.gz NNXOMCNPJAHKNZ-HXUWFJFHSA-N 0 3 442.567 4.099 40 0 IIABHN COc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)cc1Cc1c(C)noc1C ZINC000072395307 556966723 /nfs/dbraw/zinc/96/67/23/556966723.db2.gz DKZRSQGVNYXDAE-SSEPRJSISA-N 0 3 447.579 4.324 40 0 IIABHN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cc5c(cc4C)OCO5)C3)cc2n1 ZINC000072397144 556969929 /nfs/dbraw/zinc/96/99/29/556969929.db2.gz INEXAHQDMGNRCB-OAHLLOKOSA-N 0 3 432.446 4.473 40 0 IIABHN COc1ccc(N(C)c2ccc3ccc(C(=O)N4CCN(c5ccncc5)CC4)cn32)cc1 ZINC000096146222 557176673 /nfs/dbraw/zinc/17/66/73/557176673.db2.gz SFRKNZHIJXOVLB-UHFFFAOYSA-N 0 3 441.535 4.073 40 0 IIABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108338 557177924 /nfs/dbraw/zinc/17/79/24/557177924.db2.gz XPJAJMLKJAQLHX-UHFFFAOYSA-N 0 3 429.524 4.157 40 0 IIABHN CN(CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585263539 557204056 /nfs/dbraw/zinc/20/40/56/557204056.db2.gz UIIAPZMEXSANAC-LWSSLDFYSA-N 0 3 440.584 4.025 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCCn4cccn4)c3)CC2)cc1 ZINC000585271848 557216345 /nfs/dbraw/zinc/21/63/45/557216345.db2.gz DMSGEBSTVKRNTF-UHFFFAOYSA-N 0 3 435.568 4.067 40 0 IIABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccccc1 ZINC000223265072 557452939 /nfs/dbraw/zinc/45/29/39/557452939.db2.gz UQULYISCDCYNLV-ZEQRLZLVSA-N 0 3 433.625 4.082 40 0 IIABHN Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)N2CCCC2)c1 ZINC000225488111 557728814 /nfs/dbraw/zinc/72/88/14/557728814.db2.gz FDBNXUOWZTUSKM-UHFFFAOYSA-N 0 3 440.591 4.416 40 0 IIABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@H](O)Cn3ccc4ccccc43)cc2)n1 ZINC000585270019 568616752 /nfs/dbraw/zinc/61/67/52/568616752.db2.gz BPFSSZIXDHVZTF-DEOSSOPVSA-N 0 3 432.568 4.027 40 0 IIABHN Cc1cnn(CCOc2ccc(CN3CCC(O)(COc4ccc(C)cc4C)CC3)cc2)c1 ZINC000585272985 568618092 /nfs/dbraw/zinc/61/80/92/568618092.db2.gz MABRUSIKMQBVJY-UHFFFAOYSA-N 0 3 449.595 4.293 40 0 IIABHN CCOCCOc1ccc(CN2CCC[C@](O)(COc3cc(C)ccc3Cl)C2)cc1 ZINC000585274674 568618520 /nfs/dbraw/zinc/61/85/20/568618520.db2.gz ZHDXZJTWQYDWIV-XMMPIXPASA-N 0 3 433.976 4.470 40 0 IIABHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197525 568664923 /nfs/dbraw/zinc/66/49/23/568664923.db2.gz CBALBWOTUMDPJG-FGZHOGPDSA-N 0 3 435.612 4.182 40 0 IIABHN Cc1nc2cc([C@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201501 568665781 /nfs/dbraw/zinc/66/57/81/568665781.db2.gz AHXQQVAKUYXRLP-ZJSXRUAMSA-N 0 3 435.616 4.394 40 0 IIABHN CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cncn4C)CC3)CO[C@H]21 ZINC000257202457 568666410 /nfs/dbraw/zinc/66/64/10/568666410.db2.gz ALWFUAAWHBBEGY-RBBKRZOGSA-N 0 3 425.573 4.350 40 0 IIABHN COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4cnc(OC)nc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257232553 568680151 /nfs/dbraw/zinc/68/01/51/568680151.db2.gz GLIYYGJQAWSRRY-RBBKRZOGSA-N 0 3 439.556 4.025 40 0 IIABHN COc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 ZINC000257247979 568687629 /nfs/dbraw/zinc/68/76/29/568687629.db2.gz JBMGRWUCOVUUHZ-OAQYLSRUSA-N 0 3 436.600 4.083 40 0 IIABHN CCN1CCC[C@H]1CNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329810 568724219 /nfs/dbraw/zinc/72/42/19/568724219.db2.gz XLPVYXJHZACUET-BKMJKUGQSA-N 0 3 440.559 4.194 40 0 IIABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CN4Cc5ccccc5C4=O)C3)c2)cc1 ZINC000257337180 568727301 /nfs/dbraw/zinc/72/73/01/568727301.db2.gz YRTGWPBVBBHWNL-NRFANRHFSA-N 0 3 440.547 4.414 40 0 IIABHN CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccc(Oc4ncccn4)c3)CC[C@H]21 ZINC000257339024 568728182 /nfs/dbraw/zinc/72/81/82/568728182.db2.gz YZWRYRHFFOBPFA-UBFVSLLYSA-N 0 3 446.526 4.244 40 0 IIABHN CN1C(=O)CO[C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257340823 568728896 /nfs/dbraw/zinc/72/88/96/568728896.db2.gz ZHQMLHNGHDTXPL-ZCYQVOJMSA-N 0 3 436.596 4.385 40 0 IIABHN Cc1ncc2c(n1)C1(CCN(Cc3ccccc3)CC1)CN(C(=O)Nc1ccccc1)C2 ZINC000306127272 568764633 /nfs/dbraw/zinc/76/46/33/568764633.db2.gz FTUBEWBCKGQDQZ-UHFFFAOYSA-N 0 3 427.552 4.367 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3Cl)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127771 568764920 /nfs/dbraw/zinc/76/49/20/568764920.db2.gz GHJFXWXSYPYRLI-GBXCKJPGSA-N 0 3 426.992 4.346 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000019551497 569227022 /nfs/dbraw/zinc/22/70/22/569227022.db2.gz PNFINCDYPJJPDZ-CJFMBICVSA-N 0 3 437.584 4.359 40 0 IIABHN CC(C)COc1ccccc1CN1CC[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019686902 569227469 /nfs/dbraw/zinc/22/74/69/569227469.db2.gz AJSJKQPBGOWHLX-FQEVSTJZSA-N 0 3 432.572 4.024 40 0 IIABHN CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(CCOc2ccccc2F)C1 ZINC000019739222 569236604 /nfs/dbraw/zinc/23/66/04/569236604.db2.gz QFZYONAYMCHQRD-VWLOTQADSA-N 0 3 443.563 4.263 40 0 IIABHN COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(Cc3ccc(C)cc3OC)C2)nc1C ZINC000019766094 569239166 /nfs/dbraw/zinc/23/91/66/569239166.db2.gz SNBYJGDFKORUTQ-HXUWFJFHSA-N 0 3 446.551 4.352 40 0 IIABHN COc1ccc(-c2nc(C3CCN(Cc4ccccc4OC(C)C)CC3)[nH]c2C(N)=O)cc1 ZINC000019696978 569326711 /nfs/dbraw/zinc/32/67/11/569326711.db2.gz ULRHGTSSRAXTRY-UHFFFAOYSA-N 0 3 448.567 4.351 40 0 IIABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(Cc3ccccc3Cl)C2)n1 ZINC000019694626 569326789 /nfs/dbraw/zinc/32/67/89/569326789.db2.gz ZNQKIXQNOMXHPS-FQEVSTJZSA-N 0 3 449.986 4.342 40 0 IIABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707111 569327419 /nfs/dbraw/zinc/32/74/19/569327419.db2.gz WZKKYPIAVPRVNN-QFIPXVFZSA-N 0 3 429.568 4.177 40 0 IIABHN COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(CCc4ccccc4)C3)nc2C)c1 ZINC000019763402 569328895 /nfs/dbraw/zinc/32/88/95/569328895.db2.gz KBZHMFFPPLIWJJ-HSZRJFAPSA-N 0 3 444.579 4.146 40 0 IIABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635485 291379557 /nfs/dbraw/zinc/37/95/57/291379557.db2.gz ZKLHUBSPZXXOCF-WWNPGLIZSA-N 0 3 431.584 4.126 40 0 biogenic,in-vitro IIABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259319 193958551 /nfs/dbraw/zinc/95/85/51/193958551.db2.gz SHVGCQNJGJABON-LEWJYISDSA-N 0 3 443.979 4.199 40 0 IIABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1cccc(Cl)c1 ZINC000020798618 520477582 /nfs/dbraw/zinc/47/75/82/520477582.db2.gz NBNYCNRRZNQGRI-IBGZPJMESA-N 0 3 426.900 4.477 40 0 IIABHN CCOc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 ZINC000022109278 520714530 /nfs/dbraw/zinc/71/45/30/520714530.db2.gz AYIBMOKVKHDSOM-UHFFFAOYSA-N 0 3 447.992 4.113 40 0 IIABHN Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@@H](O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000019125180 525594152 /nfs/dbraw/zinc/59/41/52/525594152.db2.gz GGFNRKNOTBEMNR-XMMPIXPASA-N 0 3 432.564 4.404 40 0 IIABHN Clc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000035310841 526962409 /nfs/dbraw/zinc/96/24/09/526962409.db2.gz BOOIYHNZNHPSPN-JOCHJYFZSA-N 0 3 440.979 4.008 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000004111169 555963441 /nfs/dbraw/zinc/96/34/41/555963441.db2.gz ZAYSVDYPHSILKN-AQNXPRMDSA-N 0 3 440.908 4.461 40 0 IIABHN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000039755011 556439035 /nfs/dbraw/zinc/43/90/35/556439035.db2.gz XWAVNOABSYCHAQ-UHFFFAOYSA-N 0 3 429.967 4.348 40 0 IIABHN COc1cc(CNCCO)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016195601 556590105 /nfs/dbraw/zinc/59/01/05/556590105.db2.gz YIZOPQFZKHLKEX-UHFFFAOYSA-N 0 3 435.145 4.425 40 0 IIABHN COCCCN1C(=O)C(CC(=O)Nc2cccc(C(F)(F)F)c2)n2c3ccccc3nc21 ZINC000039963984 556630720 /nfs/dbraw/zinc/63/07/20/556630720.db2.gz VUSAVEUKBVFIIO-GOSISDBHSA-N 0 3 446.429 4.008 40 0 IIABHN Cc1c([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125121 556702804 /nfs/dbraw/zinc/70/28/04/556702804.db2.gz SYZLCWWVGVIYLK-BJKOFHAPSA-N 0 3 434.580 4.488 40 0 IIABHN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000257216591 556703092 /nfs/dbraw/zinc/70/30/92/556703092.db2.gz CVFFUJAAUMHROV-UIOOFZCWSA-N 0 3 430.548 4.113 40 0 IIABHN COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCN3CCCC[C@H]3C)CCCO2)c1 ZINC000257218453 556703531 /nfs/dbraw/zinc/70/35/31/556703531.db2.gz DDFGDFAMEXDXDS-ZBLYBZFDSA-N 0 3 436.596 4.445 40 0 IIABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000013648402 556707414 /nfs/dbraw/zinc/70/74/14/556707414.db2.gz FSPQQKSLNXBBCG-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000019219622 556714040 /nfs/dbraw/zinc/71/40/40/556714040.db2.gz RNQJOQQXVTWEQC-PKTZIBPZSA-N 0 3 436.552 4.177 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000019219619 556714164 /nfs/dbraw/zinc/71/41/64/556714164.db2.gz RNQJOQQXVTWEQC-GOTSBHOMSA-N 0 3 436.552 4.177 40 0 IIABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000019236207 556720770 /nfs/dbraw/zinc/72/07/70/556720770.db2.gz TZFTVNCSJOVSCL-CPJSRVTESA-N 0 3 430.552 4.177 40 0 IIABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ncccc2C)C1 ZINC000019237793 556722668 /nfs/dbraw/zinc/72/26/68/556722668.db2.gz IRSHULNKOTXEDY-CPJSRVTESA-N 0 3 430.552 4.177 40 0 IIABHN NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000019348343 556743775 /nfs/dbraw/zinc/74/37/75/556743775.db2.gz XCKUKWZWCWOVRZ-DEOSSOPVSA-N 0 3 438.934 4.246 40 0 IIABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400616 556753336 /nfs/dbraw/zinc/75/33/36/556753336.db2.gz LEHFGDXBKSYYEZ-DVECYGJZSA-N 0 3 443.576 4.470 40 0 IIABHN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccncc2)C1 ZINC000019448951 556758971 /nfs/dbraw/zinc/75/89/71/556758971.db2.gz UMIDYTSIFAOTBX-HHHXNRCGSA-N 0 3 428.580 4.493 40 0 IIABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019448931 556759032 /nfs/dbraw/zinc/75/90/32/556759032.db2.gz YOZWYDXMBPIONO-HHHXNRCGSA-N 0 3 428.580 4.493 40 0 IIABHN CCCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019501289 556772998 /nfs/dbraw/zinc/77/29/98/556772998.db2.gz QEKXAHKJVUPOPD-NRFANRHFSA-N 0 3 428.621 4.448 40 0 IIABHN CCc1ncc(CN2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(=O)N(C)C)C2)cn1 ZINC000019523375 556780743 /nfs/dbraw/zinc/78/07/43/556780743.db2.gz XIJCZTDGBULWPA-MHZLTWQESA-N 0 3 443.595 4.014 40 0 IIABHN COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592996 556829169 /nfs/dbraw/zinc/82/91/69/556829169.db2.gz DOBTWHIAGIMREV-SHQCIBLASA-N 0 3 429.564 4.465 40 0 IIABHN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000019756253 556899918 /nfs/dbraw/zinc/89/99/18/556899918.db2.gz IRNYUWUZXKIZJW-UHFFFAOYSA-N 0 3 436.531 4.275 40 0 IIABHN CC(C)C(=O)N1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCN(C)C ZINC000072370636 556935692 /nfs/dbraw/zinc/93/56/92/556935692.db2.gz KJIFLXDBMKOWQV-SFHVURJKSA-N 0 3 429.630 4.162 40 0 IIABHN CCc1nccn1CCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374954 556949653 /nfs/dbraw/zinc/94/96/53/556949653.db2.gz ANZPKEMTABBXLV-HXUWFJFHSA-N 0 3 432.572 4.392 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C1)OCCO2 ZINC000072375040 556950353 /nfs/dbraw/zinc/95/03/53/556950353.db2.gz MLCYNJKNOIMBTA-SFHVURJKSA-N 0 3 447.539 4.083 40 0 IIABHN COCCc1ncc(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cn1 ZINC000072375038 556950512 /nfs/dbraw/zinc/95/05/12/556950512.db2.gz VTHOUXAQCHNVKO-NRFANRHFSA-N 0 3 432.572 4.196 40 0 IIABHN CN(C)CCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)C1CCC1 ZINC000072380168 556957932 /nfs/dbraw/zinc/95/79/32/556957932.db2.gz CVWGSKCCKKCRTJ-IBGZPJMESA-N 0 3 441.641 4.307 40 0 IIABHN COc1cc(C)c(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1C ZINC000072391335 556962090 /nfs/dbraw/zinc/96/20/90/556962090.db2.gz KQFBKCLDTVRJKU-UHFFFAOYSA-N 0 3 432.572 4.005 40 0 IIABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(-c5cccc(F)c5)cc4)C[C@H]32)c(OC)n1 ZINC000072392627 556963886 /nfs/dbraw/zinc/96/38/86/556963886.db2.gz ZOXFPLAWPIGCEG-VAPDBKPJSA-N 0 3 449.526 4.030 40 0 IIABHN COc1cc(CNCCN(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022942433 557053763 /nfs/dbraw/zinc/05/37/63/557053763.db2.gz RDCSYUUFJGEHPJ-UHFFFAOYSA-N 0 3 427.770 4.341 40 0 IIABHN O=C1CCC[C@]2(CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000585261679 557195488 /nfs/dbraw/zinc/19/54/88/557195488.db2.gz FJXOXGHIKHBOBS-AHKZPQOWSA-N 0 3 445.538 4.438 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3cccc(OCCn4ccnc4)c3)CC2)cc1 ZINC000585270396 557214273 /nfs/dbraw/zinc/21/42/73/557214273.db2.gz CHRLZKUZDUBACY-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN Cc1nccn1CCCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585274264 557218350 /nfs/dbraw/zinc/21/83/50/557218350.db2.gz UWSCTYZVTPNSAY-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN O[C@@]1(COc2ccccc2)CCCN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C1 ZINC000585280237 557219807 /nfs/dbraw/zinc/21/98/07/557219807.db2.gz KFYKXGYQEFMWFD-DEOSSOPVSA-N 0 3 441.959 4.021 40 0 IIABHN COc1cc(CN(C)[C@@H](C)CO)ccc1OCc1c(C)nn(-c2ccccc2)c1Cl ZINC000585294372 557234278 /nfs/dbraw/zinc/23/42/78/557234278.db2.gz QJKDBXVDODATSG-INIZCTEOSA-N 0 3 429.948 4.234 40 0 IIABHN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219692703 557262977 /nfs/dbraw/zinc/26/29/77/557262977.db2.gz NSIMCQFNCJLXOP-HNNXBMFYSA-N 0 3 433.346 4.328 40 0 IIABHN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600312 557359548 /nfs/dbraw/zinc/35/95/48/557359548.db2.gz HPLDXQJDVYWQIP-QGZVFWFLSA-N 0 3 428.895 4.058 40 0 IIABHN Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)ccc1Cl ZINC000223281499 557455262 /nfs/dbraw/zinc/45/52/62/557455262.db2.gz JHNXCOQVPLCIAO-YADHBBJMSA-N 0 3 440.016 4.368 40 0 IIABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccc2c(c1)OCO2 ZINC000224004195 557542681 /nfs/dbraw/zinc/54/26/81/557542681.db2.gz FXQRKMYAAHNTRC-GOTSBHOMSA-N 0 3 441.516 4.173 40 0 IIABHN COc1cc2c(cc1S(=O)(=O)NCc1ccccc1CN1CCCCC1)CCCC2 ZINC000224852830 557659098 /nfs/dbraw/zinc/65/90/98/557659098.db2.gz WTVHJDKONUBQNE-UHFFFAOYSA-N 0 3 428.598 4.038 40 0 IIABHN COc1cc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000225903748 557789997 /nfs/dbraw/zinc/78/99/97/557789997.db2.gz GDKHAYXRDCCTHU-LJQANCHMSA-N 0 3 446.975 4.236 40 0 IIABHN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cnc(OC)nc4)CC3)CO[C@H]21 ZINC000257216699 568672848 /nfs/dbraw/zinc/67/28/48/568672848.db2.gz CVSUBYPQZCADFE-PZJWPPBQSA-N 0 3 439.556 4.025 40 0 IIABHN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCN3CCCC3)cc2)n1 ZINC000257218889 568673734 /nfs/dbraw/zinc/67/37/34/568673734.db2.gz DESNQWKHURUJGU-DEOSSOPVSA-N 0 3 445.567 4.028 40 0 IIABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cn4ccnc4C(C)C)C3)c2)c1 ZINC000257232306 568680140 /nfs/dbraw/zinc/68/01/40/568680140.db2.gz GKHNKFMKQZESDQ-IBGZPJMESA-N 0 3 433.556 4.478 40 0 IIABHN COc1ccccc1CN1CC[C@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257279635 568701954 /nfs/dbraw/zinc/70/19/54/568701954.db2.gz OHMLJBUXSLSBDX-NRFANRHFSA-N 0 3 436.600 4.083 40 0 IIABHN COc1ccccc1CN1CC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257279636 568702272 /nfs/dbraw/zinc/70/22/72/568702272.db2.gz OHMLJBUXSLSBDX-OAQYLSRUSA-N 0 3 436.600 4.083 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cnn(C)c2)CC1 ZINC000257286015 568704785 /nfs/dbraw/zinc/70/47/85/568704785.db2.gz PJUNYCIWNJZAMX-UHFFFAOYSA-N 0 3 436.625 4.498 40 0 IIABHN COc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1 ZINC000257294955 568708857 /nfs/dbraw/zinc/70/88/57/568708857.db2.gz QWKKHBLPVHOPDE-FQEVSTJZSA-N 0 3 448.542 4.412 40 0 IIABHN COCC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000257315557 568718001 /nfs/dbraw/zinc/71/80/01/568718001.db2.gz VBXNGXPNAAQKQX-NRFANRHFSA-N 0 3 430.951 4.334 40 0 IIABHN CC(C)CN1C(=O)CCC[C@]12CN(Cc1ccnc(N3CCCC3)n1)C[C@H]2c1ccccc1 ZINC000257336698 568727394 /nfs/dbraw/zinc/72/73/94/568727394.db2.gz YPQDXNOSIURYJC-RPLLCQBOSA-N 0 3 447.627 4.084 40 0 IIABHN COc1ccc(CN2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC000019552181 569227033 /nfs/dbraw/zinc/22/70/33/569227033.db2.gz PMBSDMZFIWCRCJ-HBMCJLEFSA-N 0 3 427.541 4.498 40 0 IIABHN CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CCN(Cc2ccc(OC3CCCC3)cc2)C1 ZINC000019739235 569236585 /nfs/dbraw/zinc/23/65/85/569236585.db2.gz ZQDQQLRQIKMJSW-RUZDIDTESA-N 0 3 425.573 4.300 40 0 IIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1Cl ZINC000008856498 569291271 /nfs/dbraw/zinc/29/12/71/569291271.db2.gz KIOTYXJJIYNXKL-BDTNDASRSA-N 0 3 434.879 4.405 40 0 IIABHN COc1cccc(CN2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000019756996 569328576 /nfs/dbraw/zinc/32/85/76/569328576.db2.gz MUZZHVJLSGOPQK-UHFFFAOYSA-N 0 3 434.515 4.331 40 0 IIABHN CN(C)CCCNc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328997280 569582867 /nfs/dbraw/zinc/58/28/67/569582867.db2.gz JNONEBFLHRKYOP-UHFFFAOYSA-N 0 3 432.359 4.648 40 0 IIABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171756 291379528 /nfs/dbraw/zinc/37/95/28/291379528.db2.gz CSRQEGMPHPPADK-VXKWHMMOSA-N 0 3 433.600 4.083 40 0 biogenic,in-vitro IIABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)Nc3ccccc3)n(C)n2)cc1 ZINC000008635388 291382951 /nfs/dbraw/zinc/38/29/51/291382951.db2.gz QDQASAAOOLBPRH-WPYKKVEZSA-N 0 3 445.567 4.095 40 0 biogenic,in-vitro IIABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000022074136 520707056 /nfs/dbraw/zinc/70/70/56/520707056.db2.gz ACPNWAFIFABLJP-UHFFFAOYSA-N 0 3 426.326 4.426 40 0 IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000032125319 521699174 /nfs/dbraw/zinc/69/91/74/521699174.db2.gz AMXYRDJVJGGSGQ-UHFFFAOYSA-N 0 3 437.396 4.262 40 0 IIABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccc(NC(C)=O)cc4)c23)cc1 ZINC000020503518 524042861 /nfs/dbraw/zinc/04/28/61/524042861.db2.gz AURVBRUHCALTML-RBBKRZOGSA-N 0 3 443.547 4.102 40 0 biogenic,in-vitro IIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2)cc1 ZINC000039758980 556441857 /nfs/dbraw/zinc/44/18/57/556441857.db2.gz NMMXMWAUKKTBRL-UHFFFAOYSA-N 0 3 431.536 4.369 40 0 IIABHN O=C(NCc1cccnc1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030942140 556516304 /nfs/dbraw/zinc/51/63/04/556516304.db2.gz XTSOEJJPQUAFQW-NRFANRHFSA-N 0 3 446.526 4.001 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000100977399 556633571 /nfs/dbraw/zinc/63/35/71/556633571.db2.gz OXYHMUFBTGERQS-VXNXHJTFSA-N 0 3 444.487 4.232 40 0 IIABHN COc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000044851693 556670661 /nfs/dbraw/zinc/67/06/61/556670661.db2.gz FLNGXBGKBBGZHZ-HXUWFJFHSA-N 0 3 430.976 4.318 40 0 IIABHN COc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(OC)c1OC ZINC000044882882 556674471 /nfs/dbraw/zinc/67/44/71/556674471.db2.gz RBXSQLPZGKSMDC-UHFFFAOYSA-N 0 3 446.547 4.201 40 0 IIABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000019081939 556696821 /nfs/dbraw/zinc/69/68/21/556696821.db2.gz ZJQDQLLDDBJSPI-PGRDOPGGSA-N 0 3 425.573 4.214 40 0 IIABHN Cc1c([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125125 556702741 /nfs/dbraw/zinc/70/27/41/556702741.db2.gz SYZLCWWVGVIYLK-ZEQRLZLVSA-N 0 3 434.580 4.488 40 0 IIABHN CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257324552 556704908 /nfs/dbraw/zinc/70/49/08/556704908.db2.gz WPFNMLLVLPJYEA-SANMLTNESA-N 0 3 442.575 4.213 40 0 IIABHN Cc1cnn(CCCOc2ccc(CN3CCC[C@@](O)(COc4ccccc4)C3)cc2)c1 ZINC000257278752 556714577 /nfs/dbraw/zinc/71/45/77/556714577.db2.gz ODMZRXGOMBKWKQ-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000000880623 556732292 /nfs/dbraw/zinc/73/22/92/556732292.db2.gz RGBUTTSOLKXSGU-UHFFFAOYSA-N 0 3 426.561 4.045 40 0 IIABHN O=C(N[C@@H](C[C@@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400897 556753543 /nfs/dbraw/zinc/75/35/43/556753543.db2.gz VQJVJDVXNVGRDF-GMAHTHKFSA-N 0 3 435.568 4.255 40 0 IIABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499318 556771093 /nfs/dbraw/zinc/77/10/93/556771093.db2.gz NOVXMTZAJTXZRK-XZOQPEGZSA-N 0 3 438.568 4.036 40 0 IIABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000001327624 556773180 /nfs/dbraw/zinc/77/31/80/556773180.db2.gz KPGOBFZQVJPSOP-UHFFFAOYSA-N 0 3 442.947 4.176 40 0 IIABHN CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019503563 556775300 /nfs/dbraw/zinc/77/53/00/556775300.db2.gz KDIIEAGAOVDXHO-MHZLTWQESA-N 0 3 428.580 4.495 40 0 IIABHN CCN(CC)CC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019526316 556784257 /nfs/dbraw/zinc/78/42/57/556784257.db2.gz HBWQYGDKFSCVBN-FUHWJXTLSA-N 0 3 443.558 4.049 40 0 IIABHN CCN(Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1)Cc1ccccc1 ZINC000019526651 556785178 /nfs/dbraw/zinc/78/51/78/556785178.db2.gz UKGHLAJGTHHSMW-UHFFFAOYSA-N 0 3 431.584 4.486 40 0 IIABHN CCN1CCN(Cc2cccc(OC)c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527711 556787017 /nfs/dbraw/zinc/78/70/17/556787017.db2.gz MXHNWBUDCZTQRA-DEOSSOPVSA-N 0 3 429.564 4.280 40 0 IIABHN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(Cc2cnn(C)c2C)C1 ZINC000019528761 556789116 /nfs/dbraw/zinc/78/91/16/556789116.db2.gz ZYVZWKWNLXRASP-VWLOTQADSA-N 0 3 436.625 4.418 40 0 IIABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532675 556792799 /nfs/dbraw/zinc/79/27/99/556792799.db2.gz KVYPZZFLYAOKGP-YADHBBJMSA-N 0 3 431.960 4.431 40 0 IIABHN CCN1CCC[C@H]1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000001378306 556795227 /nfs/dbraw/zinc/79/52/27/556795227.db2.gz FCLWJWQHEJIHNM-QFIPXVFZSA-N 0 3 436.531 4.494 40 0 IIABHN COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019555485 556798320 /nfs/dbraw/zinc/79/83/20/556798320.db2.gz XFVSQQMHWDZBBN-HJOGWXRNSA-N 0 3 433.577 4.282 40 0 IIABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019563109 556804327 /nfs/dbraw/zinc/80/43/27/556804327.db2.gz VYDPHHASBJCMCF-FCHUYYIVSA-N 0 3 442.943 4.214 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@H]2O ZINC000019581421 556819344 /nfs/dbraw/zinc/81/93/44/556819344.db2.gz QHSHNXYKSRBEAX-FGZHOGPDSA-N 0 3 440.515 4.008 40 0 IIABHN CC[C@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCN1CC ZINC000004217040 556821324 /nfs/dbraw/zinc/82/13/24/556821324.db2.gz AELTZOPKAFPBLU-UWJYYQICSA-N 0 3 428.646 4.104 40 0 IIABHN Cc1nc(CC2CCN(Cc3cccnc3N(C)C)CC2)cc(NCc2ccccc2F)n1 ZINC000019758950 556902617 /nfs/dbraw/zinc/90/26/17/556902617.db2.gz UKQUJLCSJSCXKF-UHFFFAOYSA-N 0 3 448.590 4.452 40 0 IIABHN CCOC(=O)C1=C(C)NC(SCc2cc(OC)ccc2OC)=N[C@@H]1c1ccccc1 ZINC000408988344 556910220 /nfs/dbraw/zinc/91/02/20/556910220.db2.gz HRLLERFZGDONON-OAQYLSRUSA-N 0 3 426.538 4.475 40 0 IIABHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 ZINC000019817654 556920524 /nfs/dbraw/zinc/92/05/24/556920524.db2.gz JZMUVYBOKYFREP-QFIPXVFZSA-N 0 3 425.492 4.110 40 0 IIABHN Fc1ccc(OCCc2cc([C@@H]3CCN(CCOc4ccccc4F)C3)n[nH]2)cc1F ZINC000072371704 556940492 /nfs/dbraw/zinc/94/04/92/556940492.db2.gz ZIRJIOCAZKARRA-MRXNPFEDSA-N 0 3 431.458 4.317 40 0 IIABHN Fc1ccc(OCCc2cc([C@@H]3CCN(CCOc4ccccc4F)C3)[nH]n2)cc1F ZINC000072371704 556940493 /nfs/dbraw/zinc/94/04/93/556940493.db2.gz ZIRJIOCAZKARRA-MRXNPFEDSA-N 0 3 431.458 4.317 40 0 IIABHN CCc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(C(C)C)cc3)C2)cc1 ZINC000585268839 557210219 /nfs/dbraw/zinc/21/02/19/557210219.db2.gz RQEQHHDZQXXLAL-UIOOFZCWSA-N 0 3 449.595 4.272 40 0 IIABHN Cc1ccc(OCC2(O)CCN(Cc3ccc(OCC4(O)CCCCC4)cc3)CC2)cc1 ZINC000585273009 557215464 /nfs/dbraw/zinc/21/54/64/557215464.db2.gz OLBLNCGOGMNOMN-UHFFFAOYSA-N 0 3 439.596 4.475 40 0 IIABHN CCc1nccn1CCCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273530 557215838 /nfs/dbraw/zinc/21/58/38/557215838.db2.gz PDDQNBKOFNHVDZ-MHZLTWQESA-N 0 3 449.595 4.321 40 0 IIABHN CCOc1ccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000072344799 557377072 /nfs/dbraw/zinc/37/70/72/557377072.db2.gz PZRBWIMCHHQYLV-QFIPXVFZSA-N 0 3 432.568 4.460 40 0 IIABHN NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113959050 557381896 /nfs/dbraw/zinc/38/18/96/557381896.db2.gz LGUNXTQRPQJERD-UHFFFAOYSA-N 0 3 427.548 4.493 40 0 IIABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000014671953 557449270 /nfs/dbraw/zinc/44/92/70/557449270.db2.gz XTHGZECHEVHMIA-GOSISDBHSA-N 0 3 435.833 4.304 40 0 IIABHN Nc1cc(C(=O)NC2CC2)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225440595 557723043 /nfs/dbraw/zinc/72/30/43/557723043.db2.gz MNSJWGHGFLROGO-UHFFFAOYSA-N 0 3 426.564 4.073 40 0 IIABHN Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)NC2CC2)c1 ZINC000225488016 557728881 /nfs/dbraw/zinc/72/88/81/557728881.db2.gz UCSBYDMHDVHYNF-UHFFFAOYSA-N 0 3 426.564 4.073 40 0 IIABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1 ZINC000225934496 557794166 /nfs/dbraw/zinc/79/41/66/557794166.db2.gz GOXSFVTWUITTBY-UHFFFAOYSA-N 0 3 435.955 4.351 40 0 IIABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2cccc(OC(F)(F)F)c2)C3)cc1 ZINC000096269398 560054257 /nfs/dbraw/zinc/05/42/57/560054257.db2.gz XLYIREBPEAZIRR-IBGZPJMESA-N 0 3 433.430 4.146 40 0 biogenic,in-vitro IIABHN COCCOc1cc(CN2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)ccc1OC ZINC000585270523 568616894 /nfs/dbraw/zinc/61/68/94/568616894.db2.gz LOWYWAWYXIQXJM-SANMLTNESA-N 0 3 443.584 4.133 40 0 IIABHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)n2)C1 ZINC000257205612 568667633 /nfs/dbraw/zinc/66/76/33/568667633.db2.gz AZVQTBRKNJZVPO-QGZVFWFLSA-N 0 3 444.532 4.446 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccnc2)CC1 ZINC000257231226 568679316 /nfs/dbraw/zinc/67/93/16/568679316.db2.gz GFVWHUWYKGQJMO-UHFFFAOYSA-N 0 3 428.580 4.493 40 0 IIABHN Cc1ccc(N2C[C@]3(CCN(Cc4ccccc4OCCN4CCCC4)C3)OC2=O)cc1 ZINC000257277777 568701074 /nfs/dbraw/zinc/70/10/74/568701074.db2.gz NZIAPIXHDVRQJY-AREMUKBSSA-N 0 3 435.568 4.071 40 0 IIABHN COc1cccc(CN2CCC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)c1 ZINC000257330691 568724702 /nfs/dbraw/zinc/72/47/02/568724702.db2.gz XPMURHJKHFMIBP-QFIPXVFZSA-N 0 3 436.600 4.037 40 0 IIABHN COc1ccc2c(CN3CCC(c4cccc(Nc5ncccn5)n4)CC3)cn(C)c2c1 ZINC000257331884 568725272 /nfs/dbraw/zinc/72/52/72/568725272.db2.gz XURZHDCTZYROJY-UHFFFAOYSA-N 0 3 428.540 4.495 40 0 IIABHN COc1ccc(CN2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@H]32)c(OC)c1 ZINC000248140434 569207396 /nfs/dbraw/zinc/20/73/96/569207396.db2.gz PMBSDMZFIWCRCJ-PWRODBHTSA-N 0 3 427.541 4.498 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cccn3C(C)C)C1)O2 ZINC000019454986 569226621 /nfs/dbraw/zinc/22/66/21/569226621.db2.gz MMADUJRTUVNODE-NBGIEHNGSA-N 0 3 425.573 4.099 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000019702212 569231834 /nfs/dbraw/zinc/23/18/34/569231834.db2.gz GNSKIVMUFUBSNR-GOSISDBHSA-N 0 3 446.576 4.210 40 0 IIABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)N[C@H](C)c2ccccc2OC)cc1 ZINC000019698721 569327067 /nfs/dbraw/zinc/32/70/67/569327067.db2.gz ITFHBERKQNGIPP-QGZVFWFLSA-N 0 3 448.567 4.394 40 0 IIABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000019698720 569327095 /nfs/dbraw/zinc/32/70/95/569327095.db2.gz ITFHBERKQNGIPP-KRWDZBQOSA-N 0 3 448.567 4.394 40 0 IIABHN COc1ccc(CN2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1Cn1ccnc1C ZINC000019713917 569327805 /nfs/dbraw/zinc/32/78/05/569327805.db2.gz DVZVQPXPXWUZKE-ISJGIBHGSA-N 0 3 444.579 4.233 40 0 IIABHN CC(=O)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000012602762 291378515 /nfs/dbraw/zinc/37/85/15/291378515.db2.gz HMMJBBYGNJQJTF-TYPHKJRUSA-N 0 3 448.523 4.309 40 0 biogenic,in-vitro IIABHN CC1(C)[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C[C@@H]1NCc1ccccn1 ZINC000067890176 291379778 /nfs/dbraw/zinc/37/97/78/291379778.db2.gz LHXUDIRFXPJKTN-RLWLMLJZSA-N 0 3 445.611 4.139 40 0 biogenic,in-vitro IIABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1cccc(Cl)c1 ZINC000020798621 520479711 /nfs/dbraw/zinc/47/97/11/520479711.db2.gz NBNYCNRRZNQGRI-LJQANCHMSA-N 0 3 426.900 4.477 40 0 IIABHN Cc1cc(C)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)c1 ZINC000328955914 524414831 /nfs/dbraw/zinc/41/48/31/524414831.db2.gz ADVMEUHVNVLXGQ-UHFFFAOYSA-N 0 3 445.489 4.220 40 0 IIABHN COc1ccc2cc(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000009704229 555603710 /nfs/dbraw/zinc/60/37/10/555603710.db2.gz JCOZJXWQHHYUOA-UHFFFAOYSA-N 0 3 444.988 4.363 40 0 IIABHN COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000003802090 555946643 /nfs/dbraw/zinc/94/66/43/555946643.db2.gz VVZILLNNYUUOIY-PKTZIBPZSA-N 0 3 442.581 4.147 40 0 in-man IIABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000013566927 556520237 /nfs/dbraw/zinc/52/02/37/556520237.db2.gz JVYHPPCQDGGVQY-HXUWFJFHSA-N 0 3 443.341 4.255 40 0 IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000032125150 556534295 /nfs/dbraw/zinc/53/42/95/556534295.db2.gz IUDHAAYVWICVED-UHFFFAOYSA-N 0 3 437.396 4.262 40 0 IIABHN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000101025253 556644296 /nfs/dbraw/zinc/64/42/96/556644296.db2.gz HZCHVXGZXPEOCQ-FHWLQOOXSA-N 0 3 429.314 4.318 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(O)c4)[C@H]3C2=O)cc1 ZINC000101078887 556653767 /nfs/dbraw/zinc/65/37/67/556653767.db2.gz QQENCQLIBAWUEO-SGNDLWITSA-N 0 3 444.487 4.232 40 0 IIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000019021141 556693713 /nfs/dbraw/zinc/69/37/13/556693713.db2.gz YGGNVPIWIMVWTD-QHCPKHFHSA-N 0 3 426.532 4.011 40 0 IIABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022409 556694213 /nfs/dbraw/zinc/69/42/13/556694213.db2.gz HVZDYOMOKCHBTM-DQEYMECFSA-N 0 3 446.547 4.182 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@H]2O ZINC000019084453 556698388 /nfs/dbraw/zinc/69/83/88/556698388.db2.gz IKJLLNCWLKORQM-DHIUTWEWSA-N 0 3 425.569 4.377 40 0 IIABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)COc3ccc(C)cc3C)cc2)n1 ZINC000257243250 556710665 /nfs/dbraw/zinc/71/06/65/556710665.db2.gz IGBCMLVOVQYHDB-XMMPIXPASA-N 0 3 437.584 4.067 40 0 IIABHN CCN1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 ZINC000257251366 556711725 /nfs/dbraw/zinc/71/17/25/556711725.db2.gz JQLKXSGUOPCWRT-QHCPKHFHSA-N 0 3 436.596 4.302 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@H]2O ZINC000019219616 556714158 /nfs/dbraw/zinc/71/41/58/556714158.db2.gz RNQJOQQXVTWEQC-DHIUTWEWSA-N 0 3 436.552 4.177 40 0 IIABHN Cc1cccc(CN2CC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236140 556720794 /nfs/dbraw/zinc/72/07/94/556720794.db2.gz MSIGIGUTPKOZCE-HHHXNRCGSA-N 0 3 428.580 4.411 40 0 IIABHN Cc1ccccc1-c1ncc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cn1 ZINC000019237547 556722756 /nfs/dbraw/zinc/72/27/56/556722756.db2.gz BQTYVFDVGCUPRQ-UHFFFAOYSA-N 0 3 441.623 4.234 40 0 IIABHN CCc1ccc(NC(=S)N(CCN(C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000920134 556749248 /nfs/dbraw/zinc/74/92/48/556749248.db2.gz PEDCHZNRLBDMNK-UHFFFAOYSA-N 0 3 436.625 4.468 40 0 IIABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376351 556752128 /nfs/dbraw/zinc/75/21/28/556752128.db2.gz HMHJSCHUAWZGCF-RPWUZVMVSA-N 0 3 431.532 4.159 40 0 IIABHN CC(C)[N@@H+]1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448403 556757890 /nfs/dbraw/zinc/75/78/90/556757890.db2.gz JEIGZGCNZOKSOD-LJQANCHMSA-N 0 3 440.613 4.256 40 0 IIABHN CC(C)[N@H+]1CCc2c(=O)[n-]c([C@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448403 556757892 /nfs/dbraw/zinc/75/78/92/556757892.db2.gz JEIGZGCNZOKSOD-LJQANCHMSA-N 0 3 440.613 4.256 40 0 IIABHN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)[n-]c(=O)c3C2)CC1 ZINC000019496001 556768851 /nfs/dbraw/zinc/76/88/51/556768851.db2.gz JROFTVQXGDNICF-NZBFNNPHSA-N 0 3 438.547 4.235 40 0 IIABHN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccc(F)cc4)[n-]c(=O)c3C2)CC1 ZINC000019496001 556768854 /nfs/dbraw/zinc/76/88/54/556768854.db2.gz JROFTVQXGDNICF-NZBFNNPHSA-N 0 3 438.547 4.235 40 0 IIABHN CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019529189 556790609 /nfs/dbraw/zinc/79/06/09/556790609.db2.gz AZKMUCDFPQCGHE-MHZLTWQESA-N 0 3 443.595 4.233 40 0 IIABHN COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccc(OC)cc4)C3)no2)cc1 ZINC000019555811 556799054 /nfs/dbraw/zinc/79/90/54/556799054.db2.gz RZGGVOXYGOWXSM-FQEVSTJZSA-N 0 3 435.524 4.001 40 0 IIABHN COc1cccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4cccc(OC)c4)C3)no2)c1 ZINC000019565610 556806272 /nfs/dbraw/zinc/80/62/72/556806272.db2.gz KLKMBDSJJBLAOP-HXUWFJFHSA-N 0 3 435.524 4.001 40 0 IIABHN COc1ccccc1C1(NCc2cn(CC(=O)N3CCOCC3)c3ccccc23)CCCC1 ZINC000019569192 556809354 /nfs/dbraw/zinc/80/93/54/556809354.db2.gz SYBXWWYFWMWIEK-UHFFFAOYSA-N 0 3 447.579 4.068 40 0 IIABHN CC[C@@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCN1CC ZINC000004217043 556821334 /nfs/dbraw/zinc/82/13/34/556821334.db2.gz AELTZOPKAFPBLU-DYESRHJHSA-N 0 3 428.646 4.104 40 0 IIABHN COc1cccc(OC)c1CN1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584420 556821981 /nfs/dbraw/zinc/82/19/81/556821981.db2.gz WTARYLFPVVWYIU-IBGZPJMESA-N 0 3 433.556 4.001 40 0 IIABHN Cc1cc2nc(C3CCN(Cc4n[nH]nc4-c4ccccc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340797 556912567 /nfs/dbraw/zinc/91/25/67/556912567.db2.gz UUQNYSQAUQOUQB-UHFFFAOYSA-N 0 3 441.461 4.221 40 0 IIABHN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(Cc4cccc(OC)c4)C3)c2)cn1 ZINC000072353600 556927432 /nfs/dbraw/zinc/92/74/32/556927432.db2.gz USDOZQYCZSXUPX-NRFANRHFSA-N 0 3 430.552 4.200 40 0 IIABHN Cn1nc(C2CC2)cc1C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393402 556964802 /nfs/dbraw/zinc/96/48/02/556964802.db2.gz JIHMSMIXMWPMOK-UHFFFAOYSA-N 0 3 426.992 4.267 40 0 IIABHN O=C(Cc1ccccc1)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 ZINC000585110172 557043096 /nfs/dbraw/zinc/04/30/96/557043096.db2.gz RLXXATQGKSVEQK-RPBOFIJWSA-N 0 3 439.559 4.039 40 0 IIABHN COc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000022942438 557053965 /nfs/dbraw/zinc/05/39/65/557053965.db2.gz DRRYOTLLJMOETI-UHFFFAOYSA-N 0 3 427.770 4.341 40 0 IIABHN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102761291 557132365 /nfs/dbraw/zinc/13/23/65/557132365.db2.gz HQSPYXVGXOZEBV-XPWALMASSA-N 0 3 432.451 4.276 40 0 IIABHN O=C(Nc1cccc(Cl)c1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096144669 557173035 /nfs/dbraw/zinc/17/30/35/557173035.db2.gz ZXESILFMCGKHKG-OAQYLSRUSA-N 0 3 436.943 4.065 40 0 IIABHN CC(=O)N1CCN(C(=O)c2ccccc2CN2CCCC2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000585262009 557198537 /nfs/dbraw/zinc/19/85/37/557198537.db2.gz WDCLSJZVEGVKIO-AREMUKBSSA-N 0 3 449.595 4.115 40 0 IIABHN CCCc1cnc(Nc2cc(C(C)C)nc(C3CCN(C(=O)C(C)(C)N)CC3)n2)s1 ZINC000585263274 557203992 /nfs/dbraw/zinc/20/39/92/557203992.db2.gz UQGPGUWXWFEDLE-UHFFFAOYSA-N 0 3 430.622 4.196 40 0 IIABHN Cc1nccn1CCCOc1cccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585272071 557216774 /nfs/dbraw/zinc/21/67/74/557216774.db2.gz FKPBERCMDYJBOF-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929100 557277500 /nfs/dbraw/zinc/27/75/00/557277500.db2.gz JQKWSZNKSXGCPB-VWLOTQADSA-N 0 3 430.600 4.070 40 0 IIABHN Clc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929135 557277546 /nfs/dbraw/zinc/27/75/46/557277546.db2.gz LCOUTTHPRKRXBV-QHCPKHFHSA-N 0 3 436.991 4.024 40 0 IIABHN COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000102695032 557305453 /nfs/dbraw/zinc/30/54/53/557305453.db2.gz MYERLJKKPCTZKL-UMFSSWHCSA-N 0 3 428.488 4.445 40 0 IIABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(C)cc4)C(=O)[C@]32C)cc1 ZINC000102695032 557305456 /nfs/dbraw/zinc/30/54/56/557305456.db2.gz MYERLJKKPCTZKL-UMFSSWHCSA-N 0 3 428.488 4.445 40 0 IIABHN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cnn(C)c2)CC1 ZINC000072345207 557377455 /nfs/dbraw/zinc/37/74/55/557377455.db2.gz GFYLCCNQCPUJEO-UHFFFAOYSA-N 0 3 434.559 4.187 40 0 IIABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571292 557744621 /nfs/dbraw/zinc/74/46/21/557744621.db2.gz GEFHQJAURHPOJI-UHFFFAOYSA-N 0 3 426.532 4.377 40 0 IIABHN COc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c2cccnc12 ZINC000225775460 557776031 /nfs/dbraw/zinc/77/60/31/557776031.db2.gz NFUTWKHOSHVWDM-UHFFFAOYSA-N 0 3 436.581 4.203 40 0 IIABHN Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257201500 568665817 /nfs/dbraw/zinc/66/58/17/568665817.db2.gz AHXQQVAKUYXRLP-XUZZJYLKSA-N 0 3 435.616 4.394 40 0 IIABHN COc1cccc(CN2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257204940 568667602 /nfs/dbraw/zinc/66/76/02/568667602.db2.gz AWYWWHUREXNOIY-NRFANRHFSA-N 0 3 436.600 4.083 40 0 IIABHN Cc1nc2cc([C@H]3CCN(Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257222540 568675498 /nfs/dbraw/zinc/67/54/98/568675498.db2.gz DTROUPFIERJCHY-SFHVURJKSA-N 0 3 439.629 4.244 40 0 IIABHN COc1ccccc1-c1cccc(CC2(C(=O)N[C@H](C)CN3CCCC3)CCOCC2)c1 ZINC000257242028 568684676 /nfs/dbraw/zinc/68/46/76/568684676.db2.gz IASSMHWLQLETSP-OAQYLSRUSA-N 0 3 436.596 4.302 40 0 IIABHN CC(C)c1ccc(CN2CCC(c3nnc([C@@H]4CCCCN4S(C)(=O)=O)o3)CC2)cc1 ZINC000257296951 568710206 /nfs/dbraw/zinc/71/02/06/568710206.db2.gz RFDMKASXHSOBDQ-NRFANRHFSA-N 0 3 446.617 4.059 40 0 IIABHN CN1CCC(C)(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)CC1 ZINC000257303193 568712813 /nfs/dbraw/zinc/71/28/13/568712813.db2.gz SGEDKMAOQGNQMN-PZJWPPBQSA-N 0 3 432.992 4.293 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3cccc(Cl)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129078 568765401 /nfs/dbraw/zinc/76/54/01/568765401.db2.gz HTWUOOZYSMRVNT-ZJSXRUAMSA-N 0 3 426.992 4.346 40 0 IIABHN O=C1N(Cc2cccnc2)CC[C@@]12CN(Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306133072 568767724 /nfs/dbraw/zinc/76/77/24/568767724.db2.gz MAWXXDZJNFFLJW-NOZRDPDXSA-N 0 3 432.955 4.148 40 0 IIABHN CC(C)n1nccc1[C@@H]1CN(Cc2nccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306142050 568772430 /nfs/dbraw/zinc/77/24/30/568772430.db2.gz WNWQYSFQWDFEBY-SQJMNOBHSA-N 0 3 449.624 4.329 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000019555087 569227005 /nfs/dbraw/zinc/22/70/05/569227005.db2.gz BUOPIQIXEGJGMJ-WNCULLNHSA-N 0 3 429.564 4.402 40 0 IIABHN NC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000019702613 569232288 /nfs/dbraw/zinc/23/22/88/569232288.db2.gz CVVCMOWZFHTMNR-SFHVURJKSA-N 0 3 444.560 4.359 40 0 IIABHN Cc1ccc(-n2cc(CN3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccc(F)cc3)cn2)cc1 ZINC000019713129 569235509 /nfs/dbraw/zinc/23/55/09/569235509.db2.gz GYUXGDKVIWIINV-JWQCQUIFSA-N 0 3 432.543 4.475 40 0 IIABHN Cc1nc([C@H]2CCCN(CCc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765493 569238773 /nfs/dbraw/zinc/23/87/73/569238773.db2.gz UOCBJHFKMJAUEE-QFIPXVFZSA-N 0 3 432.543 4.276 40 0 IIABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000009459121 569296520 /nfs/dbraw/zinc/29/65/20/569296520.db2.gz IOKLKWPWAMGOPM-VXNXHJTFSA-N 0 3 443.503 4.312 40 0 IIABHN COc1cccc(OCCN2CCC([C@@H]3CC=CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000019698387 569326872 /nfs/dbraw/zinc/32/68/72/569326872.db2.gz WUVZHYXGNOUSTG-SANMLTNESA-N 0 3 434.580 4.391 40 0 IIABHN Cc1nnc2n1C[C@@H](c1cccc(C(=O)N(Cc3ccccc3)C3CCN(C)CC3)c1)CC2 ZINC000019698226 569326970 /nfs/dbraw/zinc/32/69/70/569326970.db2.gz JGINMIULQKMTSM-DEOSSOPVSA-N 0 3 443.595 4.053 40 0 IIABHN CCn1c(CN2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)nc2ccccc21 ZINC000019713882 569327789 /nfs/dbraw/zinc/32/77/89/569327789.db2.gz HOBIFDJXWBJKST-JHMXWDHMSA-N 0 3 446.595 4.309 40 0 IIABHN COc1ccc(CN2CCC[C@@H](c3onc4c3C[C@@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000036718932 524028319 /nfs/dbraw/zinc/02/83/19/524028319.db2.gz DZIGMEBTHRYYKN-PZJWPPBQSA-N 0 3 439.600 4.020 40 0 IIABHN O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503180 527449453 /nfs/dbraw/zinc/44/94/53/527449453.db2.gz DROGSUYUDDSVJC-DOTOQJQBSA-N 0 3 444.453 4.239 40 0 biogenic,in-vitro IIABHN CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000039767239 556437088 /nfs/dbraw/zinc/43/70/88/556437088.db2.gz QUSYMZUXVDHOSB-UHFFFAOYSA-N 0 3 428.548 4.194 40 0 IIABHN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)c1 ZINC000032125287 556534572 /nfs/dbraw/zinc/53/45/72/556534572.db2.gz MJEJQBTYCXMANL-UHFFFAOYSA-N 0 3 440.613 4.134 40 0 IIABHN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C4CCC(F)(F)CC4)C[C@H]2N(C)C3=O)c1 ZINC000514290387 556626600 /nfs/dbraw/zinc/62/66/00/556626600.db2.gz ZXFDKMJRKXIOBA-GGAORHGYSA-N 0 3 442.506 4.457 40 0 biogenic,in-vitro IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000101020157 556644983 /nfs/dbraw/zinc/64/49/83/556644983.db2.gz WOETXSICZKRVLL-BDTNDASRSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044908713 556680385 /nfs/dbraw/zinc/68/03/85/556680385.db2.gz QZYSHRGLYMZKDO-HXUWFJFHSA-N 0 3 430.548 4.451 40 0 IIABHN CC(C)(C)c1n[nH]cc1CN1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019083488 556697881 /nfs/dbraw/zinc/69/78/81/556697881.db2.gz HZLFJNFOZHLZEC-RUZDIDTESA-N 0 3 445.611 4.414 40 0 IIABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCn3cccn3)cc2)c2ccccc12 ZINC000257335665 556706323 /nfs/dbraw/zinc/70/63/23/556706323.db2.gz YLHRHJOLYUQBMP-QHCPKHFHSA-N 0 3 432.568 4.027 40 0 IIABHN Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208488 556708260 /nfs/dbraw/zinc/70/82/60/556708260.db2.gz PPKUEFAROCEDNC-HSZRJFAPSA-N 0 3 448.611 4.433 40 0 IIABHN Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[n-]3)CC[N@H+](C(C)C)C4)CCCC2)cc1 ZINC000019208488 556708263 /nfs/dbraw/zinc/70/82/63/556708263.db2.gz PPKUEFAROCEDNC-HSZRJFAPSA-N 0 3 448.611 4.433 40 0 IIABHN Cc1ccsc1CN(C)Cc1c2nccnc2[nH]c1C1CCN(C(=O)C2CCC2)CC1 ZINC000019238567 556723774 /nfs/dbraw/zinc/72/37/74/556723774.db2.gz JVPJRZXCKIFYGB-UHFFFAOYSA-N 0 3 437.613 4.466 40 0 IIABHN Cc1ccc(NCc2nnc(SCCN3CCCCC3)n2C[C@H]2CCCO2)c(C)c1 ZINC000000923538 556751641 /nfs/dbraw/zinc/75/16/41/556751641.db2.gz RGUXFBZVCUBYKU-HXUWFJFHSA-N 0 3 429.634 4.264 40 0 IIABHN O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019406429 556755230 /nfs/dbraw/zinc/75/52/30/556755230.db2.gz ZLBRRLXCIJPWHC-NRFANRHFSA-N 0 3 440.613 4.088 40 0 IIABHN O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019406429 556755231 /nfs/dbraw/zinc/75/52/31/556755231.db2.gz ZLBRRLXCIJPWHC-NRFANRHFSA-N 0 3 440.613 4.088 40 0 IIABHN O=C(Cc1ccsc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019406429 556755232 /nfs/dbraw/zinc/75/52/32/556755232.db2.gz ZLBRRLXCIJPWHC-NRFANRHFSA-N 0 3 440.613 4.088 40 0 IIABHN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019454030 556764575 /nfs/dbraw/zinc/76/45/75/556764575.db2.gz LBAYCKXWRSDZMR-MHZLTWQESA-N 0 3 443.595 4.233 40 0 IIABHN Cc1cc(C(=O)N2CCC(O)(CN3CCCC[C@@H]3c3cccnc3)CC2)c2ccccc2n1 ZINC000019569424 556809441 /nfs/dbraw/zinc/80/94/41/556809441.db2.gz CDYSUKCWMVLCMC-RUZDIDTESA-N 0 3 444.579 4.133 40 0 IIABHN CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1 ZINC000019687569 556842231 /nfs/dbraw/zinc/84/22/31/556842231.db2.gz YWIKMYDADKVLHE-UHFFFAOYSA-N 0 3 434.588 4.123 40 0 IIABHN CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccn2)CC1 ZINC000019700264 556859861 /nfs/dbraw/zinc/85/98/61/556859861.db2.gz NHZOAHIRZXXNGY-UHFFFAOYSA-N 0 3 428.580 4.495 40 0 IIABHN COc1cccc(CN2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000019756398 556900249 /nfs/dbraw/zinc/90/02/49/556900249.db2.gz ZBJJEKLEFOJLQB-UHFFFAOYSA-N 0 3 436.531 4.275 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)c1 ZINC000072330395 556905438 /nfs/dbraw/zinc/90/54/38/556905438.db2.gz PNFINCDYPJJPDZ-NLFFAJNJSA-N 0 3 437.584 4.359 40 0 IIABHN CCn1nc(C)c(CN2CC[C@@H](c3c4ccccc4sc3C(=O)NCCOC)C2)c1C ZINC000072352301 556923638 /nfs/dbraw/zinc/92/36/38/556923638.db2.gz WNLJDCVCUZOGAX-GOSISDBHSA-N 0 3 440.613 4.100 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)CCC2 ZINC000072353692 556927769 /nfs/dbraw/zinc/92/77/69/556927769.db2.gz USIIPZNSQVPSOC-FQEVSTJZSA-N 0 3 429.568 4.306 40 0 IIABHN O=c1ccc(-c2ccc(Cl)s2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cccs1 ZINC000072394321 556965926 /nfs/dbraw/zinc/96/59/26/556965926.db2.gz YCFJBKUPBHXAPS-YLQYIJTPSA-N 0 3 448.013 4.245 40 0 IIABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102722027 557131352 /nfs/dbraw/zinc/13/13/52/557131352.db2.gz HZCHVXGZXPEOCQ-IPMKNSEASA-N 0 3 429.314 4.318 40 0 IIABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000102722027 557131353 /nfs/dbraw/zinc/13/13/53/557131353.db2.gz HZCHVXGZXPEOCQ-IPMKNSEASA-N 0 3 429.314 4.318 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102728208 557131639 /nfs/dbraw/zinc/13/16/39/557131639.db2.gz FYHTYUXWMHZIRA-ZCNNSNEGSA-N 0 3 440.286 4.440 40 0 IIABHN CNC(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000585261966 557197946 /nfs/dbraw/zinc/19/79/46/557197946.db2.gz VCXVIJFLNXVGBW-SANMLTNESA-N 0 3 433.527 4.080 40 0 IIABHN Cc1nccn1CCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585274266 557218339 /nfs/dbraw/zinc/21/83/39/557218339.db2.gz UWSCTYZVTPNSAY-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022928545 557271679 /nfs/dbraw/zinc/27/16/79/557271679.db2.gz BRPBAGSWPGWOKS-DEOSSOPVSA-N 0 3 438.620 4.227 40 0 IIABHN c1csc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000022930082 557274714 /nfs/dbraw/zinc/27/47/14/557274714.db2.gz AFRCKWVTYQNNSP-QHCPKHFHSA-N 0 3 436.629 4.017 40 0 IIABHN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222600375 557359537 /nfs/dbraw/zinc/35/95/37/557359537.db2.gz HPLDXQJDVYWQIP-KRWDZBQOSA-N 0 3 428.895 4.058 40 0 IIABHN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601684 557359743 /nfs/dbraw/zinc/35/97/43/557359743.db2.gz LVBRYGDRIFYLAV-SFHVURJKSA-N 0 3 442.922 4.400 40 0 IIABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccccc1 ZINC000223264970 557452841 /nfs/dbraw/zinc/45/28/41/557452841.db2.gz UQULYISCDCYNLV-RPWUZVMVSA-N 0 3 433.625 4.082 40 0 IIABHN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223290480 557456268 /nfs/dbraw/zinc/45/62/68/557456268.db2.gz ZVRDISUKUTZRKA-BJKOFHAPSA-N 0 3 433.625 4.332 40 0 IIABHN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000224558121 557623020 /nfs/dbraw/zinc/62/30/20/557623020.db2.gz KORPZQHNZNBUHJ-GOTSBHOMSA-N 0 3 427.533 4.453 40 0 IIABHN COc1cc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(OC)cc1Cl ZINC000225230414 557702860 /nfs/dbraw/zinc/70/28/60/557702860.db2.gz SETGLDSLTUGRCI-UHFFFAOYSA-N 0 3 426.007 4.370 40 0 IIABHN Nc1cc(C(=O)N2CCCC2)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225440710 557723033 /nfs/dbraw/zinc/72/30/33/557723033.db2.gz AVBQAABQUBHOCM-UHFFFAOYSA-N 0 3 440.591 4.416 40 0 IIABHN Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@H](O)Cn3ccc4ccccc43)cc2)n1 ZINC000585270022 568616759 /nfs/dbraw/zinc/61/67/59/568616759.db2.gz BPFSSZIXDHVZTF-XMMPIXPASA-N 0 3 432.568 4.027 40 0 IIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)n1 ZINC000257215346 568672368 /nfs/dbraw/zinc/67/23/68/568672368.db2.gz CPRUALMFIMSRDH-IBGZPJMESA-N 0 3 434.515 4.231 40 0 IIABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H](Cc3nccn4cccc34)CC2)CC1 ZINC000257224172 568676168 /nfs/dbraw/zinc/67/61/68/568676168.db2.gz FAPGYCHICSTFKT-HSZRJFAPSA-N 0 3 444.623 4.460 40 0 IIABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cn4ccnc4C(C)C)C3)c2)c1 ZINC000257232307 568679994 /nfs/dbraw/zinc/67/99/94/568679994.db2.gz GKHNKFMKQZESDQ-LJQANCHMSA-N 0 3 433.556 4.478 40 0 IIABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccc(OC)c(C)c3C)C2)nc1C ZINC000257236843 568682271 /nfs/dbraw/zinc/68/22/71/568682271.db2.gz HDZZKYINPLIVCK-QFIPXVFZSA-N 0 3 438.616 4.119 40 0 IIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CCc3c(C)nc(N)nc3C)C2)n1 ZINC000257275672 568700388 /nfs/dbraw/zinc/70/03/88/568700388.db2.gz NQJXWHZDAIHSAO-GOSISDBHSA-N 0 3 448.546 4.210 40 0 IIABHN Cn1cc(CN2CCC3(CO[C@@H]([C@@]4(C)CC[C@H](O)C(C)(C)O4)C3)CC2)c2cc(F)ccc21 ZINC000257292821 568707830 /nfs/dbraw/zinc/70/78/30/568707830.db2.gz QNCBKIDUNLLQFQ-JBRSBNLGSA-N 0 3 444.591 4.397 40 0 IIABHN O=C(N1CCNC[C@@H](COCc2ccccc2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000257304353 568713276 /nfs/dbraw/zinc/71/32/76/568713276.db2.gz SLFZSXMMERKSIQ-OAQYLSRUSA-N 0 3 426.988 4.417 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3F)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137213 568769827 /nfs/dbraw/zinc/76/98/27/568769827.db2.gz QPBNBSHKQYKWLS-GJZUVCINSA-N 0 3 447.558 4.016 40 0 IIABHN CCOc1cc2c(cc1CN1CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CCC2 ZINC000019762956 569237701 /nfs/dbraw/zinc/23/77/01/569237701.db2.gz WZUWHTPDYADDMW-JOCHJYFZSA-N 0 3 448.611 4.288 40 0 IIABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856927 569249211 /nfs/dbraw/zinc/24/92/11/569249211.db2.gz NITZGWKLTPEWQY-UGKGYDQZSA-N 0 3 449.016 4.223 40 0 IIABHN COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(CCc4ccccc4)C3)nc2C)c1 ZINC000019763404 569328883 /nfs/dbraw/zinc/32/88/83/569328883.db2.gz KBZHMFFPPLIWJJ-QHCPKHFHSA-N 0 3 444.579 4.146 40 0 IIABHN CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCc2ccc(-c3ccccc3)cc2)n1 ZINC000005433912 291378829 /nfs/dbraw/zinc/37/88/29/291378829.db2.gz XYLKIHDXJVCYQM-ZCAIMPEWSA-N 0 3 444.579 4.178 40 0 biogenic,in-vitro IIABHN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)n(C)n1 ZINC000012602014 291384025 /nfs/dbraw/zinc/38/40/25/291384025.db2.gz HGAGVZOIUSUTDT-DWLFOUALSA-N 0 3 445.567 4.095 40 0 biogenic,in-vitro IIABHN Clc1cccc(N2CCN(CCCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000001664982 132246417 /nfs/dbraw/zinc/24/64/17/132246417.db2.gz WWXDTRQIBDUJET-UHFFFAOYSA-N 0 3 433.427 4.328 40 0 IIABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1ccc(OCC)cc1 ZINC000020798596 520476515 /nfs/dbraw/zinc/47/65/15/520476515.db2.gz KZTATMCAFGMVCH-NRFANRHFSA-N 0 3 436.508 4.222 40 0 IIABHN CCOc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022074100 520712568 /nfs/dbraw/zinc/71/25/68/520712568.db2.gz FHFMBALTNYBUNK-UHFFFAOYSA-N 0 3 436.955 4.269 40 0 IIABHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000023471970 520714363 /nfs/dbraw/zinc/71/43/63/520714363.db2.gz YFYNLXZKEDRHIU-UHFFFAOYSA-N 0 3 439.383 4.393 40 0 IIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000022531594 521024304 /nfs/dbraw/zinc/02/43/04/521024304.db2.gz FCVFYUZIVYEGOX-JOCHJYFZSA-N 0 3 435.568 4.080 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000012707766 521632541 /nfs/dbraw/zinc/63/25/41/521632541.db2.gz NCEJIGNVRHEXSQ-OAQYLSRUSA-N 0 3 434.540 4.055 40 0 IIABHN CCn1c2ccccc2nc1N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000012116387 523285741 /nfs/dbraw/zinc/28/57/41/523285741.db2.gz WQFGACIQHBKUCU-UHFFFAOYSA-N 0 3 445.611 4.053 40 0 IIABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000100932884 556611652 /nfs/dbraw/zinc/61/16/52/556611652.db2.gz ZOJIDIFKCOZITF-SMIHKQSGSA-N 0 3 428.488 4.309 40 0 IIABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964027 556631150 /nfs/dbraw/zinc/63/11/50/556631150.db2.gz PXTZRTUGZFPXBR-QFIPXVFZSA-N 0 3 428.467 4.335 40 0 IIABHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 ZINC000039964165 556631424 /nfs/dbraw/zinc/63/14/24/556631424.db2.gz PPHROMOIVDKWAR-QFIPXVFZSA-N 0 3 425.492 4.165 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000019081866 556696800 /nfs/dbraw/zinc/69/68/00/556696800.db2.gz WERUYJYCNVSCAS-AUSIDOKSSA-N 0 3 425.573 4.214 40 0 IIABHN Cc1c([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125119 556702817 /nfs/dbraw/zinc/70/28/17/556702817.db2.gz SYZLCWWVGVIYLK-RPWUZVMVSA-N 0 3 434.580 4.488 40 0 IIABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCc2c(C)noc2C)cc1 ZINC000257214465 556703044 /nfs/dbraw/zinc/70/30/44/556703044.db2.gz CMCNUZPGJTZYLC-OAQYLSRUSA-N 0 3 440.540 4.141 40 0 IIABHN COCCOc1cc(CN2CCC[C@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000257334230 556706359 /nfs/dbraw/zinc/70/63/59/556706359.db2.gz YFCFGRAOKFXGMQ-SANMLTNESA-N 0 3 443.584 4.479 40 0 IIABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCc3nccn3C)cc2)c2ccccc12 ZINC000257220268 556707503 /nfs/dbraw/zinc/70/75/03/556707503.db2.gz DKFIHUSZDSFLKV-QFIPXVFZSA-N 0 3 432.568 4.064 40 0 IIABHN COc1ccc2[nH]c(C)c([C@@H](O)CN3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219207 556713677 /nfs/dbraw/zinc/71/36/77/556713677.db2.gz WJEYBZOIXSLARQ-GOTSBHOMSA-N 0 3 436.552 4.177 40 0 IIABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019220410 556715175 /nfs/dbraw/zinc/71/51/75/556715175.db2.gz ZXSKBAOOEAWDQF-OAQYLSRUSA-N 0 3 448.567 4.267 40 0 IIABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019220410 556715177 /nfs/dbraw/zinc/71/51/77/556715177.db2.gz ZXSKBAOOEAWDQF-OAQYLSRUSA-N 0 3 448.567 4.267 40 0 IIABHN COc1ccc(-c2ccccc2)cc1CN1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257309978 556718470 /nfs/dbraw/zinc/71/84/70/556718470.db2.gz UDDXDAFFZNYPLR-HXUWFJFHSA-N 0 3 428.536 4.096 40 0 IIABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000880598 556732255 /nfs/dbraw/zinc/73/22/55/556732255.db2.gz CQLBOCKVUXYSMN-UHFFFAOYSA-N 0 3 428.989 4.251 40 0 IIABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000880577 556732314 /nfs/dbraw/zinc/73/23/14/556732314.db2.gz TXJJNIHBOWSSBS-UHFFFAOYSA-N 0 3 428.989 4.251 40 0 IIABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400623 556753081 /nfs/dbraw/zinc/75/30/81/556753081.db2.gz LEHFGDXBKSYYEZ-CYFREDJKSA-N 0 3 443.576 4.470 40 0 IIABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 ZINC000095483649 556757339 /nfs/dbraw/zinc/75/73/39/556757339.db2.gz IOKLKWPWAMGOPM-SMIHKQSGSA-N 0 3 443.503 4.312 40 0 IIABHN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H](C)N4CCCCC4)C3)cc2n1 ZINC000019452380 556763321 /nfs/dbraw/zinc/76/33/21/556763321.db2.gz NYFITACOMNLAHY-JKSUJKDBSA-N 0 3 437.510 4.062 40 0 IIABHN CCc1ncc(CN2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(=O)NC)C2)cn1 ZINC000019523371 556780711 /nfs/dbraw/zinc/78/07/11/556780711.db2.gz PKFOOAKUJWUMJP-MHZLTWQESA-N 0 3 428.580 4.277 40 0 IIABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)c2ccccc21 ZINC000019524766 556782122 /nfs/dbraw/zinc/78/21/22/556782122.db2.gz ZRUNMDXZNHPDSO-DNQXCXABSA-N 0 3 436.552 4.054 40 0 IIABHN CCN(CC)CC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019526324 556784236 /nfs/dbraw/zinc/78/42/36/556784236.db2.gz PLYBGUKJAGVICO-QFIPXVFZSA-N 0 3 448.546 4.427 40 0 IIABHN CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2)C1 ZINC000019528754 556789073 /nfs/dbraw/zinc/78/90/73/556789073.db2.gz GTOFSQUYFYXZJQ-HHHXNRCGSA-N 0 3 446.595 4.057 40 0 IIABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532681 556792862 /nfs/dbraw/zinc/79/28/62/556792862.db2.gz KVYPZZFLYAOKGP-FCHUYYIVSA-N 0 3 431.960 4.431 40 0 IIABHN COc1ccc(CN2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cc1 ZINC000019554960 556798233 /nfs/dbraw/zinc/79/82/33/556798233.db2.gz YNJLLOZHXISYNX-MHZLTWQESA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4ccc5ncccc5c4)C[C@H]32)c1OC ZINC000019567318 556807498 /nfs/dbraw/zinc/80/74/98/556807498.db2.gz UADQPCKKSJOVMQ-XUZZJYLKSA-N 0 3 445.563 4.379 40 0 IIABHN COc1cc(CN2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)cc(OC)c1 ZINC000019584469 556821951 /nfs/dbraw/zinc/82/19/51/556821951.db2.gz YROUHSSSNQJLTO-UHFFFAOYSA-N 0 3 433.556 4.001 40 0 IIABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc(OC)cc2F)C1 ZINC000019591278 556826428 /nfs/dbraw/zinc/82/64/28/556826428.db2.gz BLNLJHKVBBGNEM-HHHXNRCGSA-N 0 3 447.554 4.467 40 0 IIABHN Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 ZINC000019761761 556905342 /nfs/dbraw/zinc/90/53/42/556905342.db2.gz GUCDRAUADFALMD-OAQYLSRUSA-N 0 3 439.563 4.185 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)cc1 ZINC000072330469 556905739 /nfs/dbraw/zinc/90/57/39/556905739.db2.gz BUOPIQIXEGJGMJ-KCWPFWIISA-N 0 3 429.564 4.402 40 0 IIABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330465 556905894 /nfs/dbraw/zinc/90/58/94/556905894.db2.gz KPSGNWCGUSETNL-KCWPFWIISA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000072330542 556906305 /nfs/dbraw/zinc/90/63/05/556906305.db2.gz FAPFMKBZDUMDCB-LVXARBLLSA-N 0 3 445.563 4.482 40 0 IIABHN CCOC(=O)C1=C(C)NC(SCc2cc(OC)ccc2OC)=N[C@H]1c1ccccc1 ZINC000408988340 556910190 /nfs/dbraw/zinc/91/01/90/556910190.db2.gz HRLLERFZGDONON-NRFANRHFSA-N 0 3 426.538 4.475 40 0 IIABHN COc1ccc(CN2CCC([C@@]3(C)CCCCN(C)C3=O)CC2)cc1Cn1ccnc1C ZINC000072372050 556941571 /nfs/dbraw/zinc/94/15/71/556941571.db2.gz VBNYPTLVJCAHBU-AREMUKBSSA-N 0 3 438.616 4.109 40 0 IIABHN CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4oc5ccccc5c4C)C[C@H]32)c(OCC)n1 ZINC000072392657 556963979 /nfs/dbraw/zinc/96/39/79/556963979.db2.gz WGLCCCMEXPOPAF-WVFSIPRWSA-N 0 3 437.540 4.058 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000072398580 556970002 /nfs/dbraw/zinc/97/00/02/556970002.db2.gz WERUYJYCNVSCAS-XXBNENTESA-N 0 3 425.573 4.214 40 0 IIABHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102727768 557131250 /nfs/dbraw/zinc/13/12/50/557131250.db2.gz GIIMJJMIHWGLSE-ZCNNSNEGSA-N 0 3 440.286 4.440 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102727768 557131254 /nfs/dbraw/zinc/13/12/54/557131254.db2.gz GIIMJJMIHWGLSE-ZCNNSNEGSA-N 0 3 440.286 4.440 40 0 IIABHN OC1(COc2cccc(Cl)c2)CCN(Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585272458 557217329 /nfs/dbraw/zinc/21/73/29/557217329.db2.gz NIWAKFLTSONTSS-UHFFFAOYSA-N 0 3 441.959 4.021 40 0 IIABHN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)cc1 ZINC000219236626 557232604 /nfs/dbraw/zinc/23/26/04/557232604.db2.gz MXGASCRQNAIXIE-UHFFFAOYSA-N 0 3 434.540 4.249 40 0 IIABHN COC(=O)C1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000219962670 557272732 /nfs/dbraw/zinc/27/27/32/557272732.db2.gz RAGCKGHCYKIORX-UHFFFAOYSA-N 0 3 434.580 4.167 40 0 IIABHN c1csc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000022930085 557274740 /nfs/dbraw/zinc/27/47/40/557274740.db2.gz AFRCKWVTYQNNSP-HSZRJFAPSA-N 0 3 436.629 4.017 40 0 IIABHN COc1ccc(-c2cccc(CN(CCCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000013569069 557347457 /nfs/dbraw/zinc/34/74/57/557347457.db2.gz AJMDCUVVRGJZAQ-UHFFFAOYSA-N 0 3 431.580 4.482 40 0 IIABHN CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222597086 557358439 /nfs/dbraw/zinc/35/84/39/557358439.db2.gz UCDRXDSDDSGTKF-MRXNPFEDSA-N 0 3 430.961 4.322 40 0 IIABHN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601514 557359783 /nfs/dbraw/zinc/35/97/83/557359783.db2.gz GZBRFVPPOCQXHP-KRWDZBQOSA-N 0 3 442.922 4.400 40 0 IIABHN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601452 557359821 /nfs/dbraw/zinc/35/98/21/557359821.db2.gz GZBRFVPPOCQXHP-QGZVFWFLSA-N 0 3 442.922 4.400 40 0 IIABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccccc1 ZINC000223264912 557452498 /nfs/dbraw/zinc/45/24/98/557452498.db2.gz UQULYISCDCYNLV-DNQXCXABSA-N 0 3 433.625 4.082 40 0 IIABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1Cc1ccccc1 ZINC000223265016 557452947 /nfs/dbraw/zinc/45/29/47/557452947.db2.gz UQULYISCDCYNLV-BJKOFHAPSA-N 0 3 433.625 4.082 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc(OCc4nccn4C)cc3)CC2)c(C)c1 ZINC000585270583 568617120 /nfs/dbraw/zinc/61/71/20/568617120.db2.gz MTDMNJXWCWMNSR-HHHXNRCGSA-N 0 3 449.595 4.412 40 0 IIABHN CCOc1ccc(CN2CCC(c3cncc(Nc4ncccc4C)n3)CC2)cc1CO ZINC000257203053 568666786 /nfs/dbraw/zinc/66/67/86/568666786.db2.gz AOMMGIZREBKNCS-UHFFFAOYSA-N 0 3 433.556 4.194 40 0 IIABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CCn4ccccc4=O)C3)c2)cc1 ZINC000257219791 568674494 /nfs/dbraw/zinc/67/44/94/568674494.db2.gz DIDVJDNBWREBEO-FQEVSTJZSA-N 0 3 446.551 4.100 40 0 IIABHN COc1ccccc1-c1cccc(CN2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257228150 568678269 /nfs/dbraw/zinc/67/82/69/568678269.db2.gz FSOCIMKXMRZDKX-NRFANRHFSA-N 0 3 428.536 4.096 40 0 IIABHN Cc1ccc2n[nH]c(C(=O)N3CCO[C@H](c4cc(Nc5cccc(C)n5)cc(C)n4)C3)c2c1 ZINC000257237640 568682767 /nfs/dbraw/zinc/68/27/67/568682767.db2.gz HHKLHIQVCRWLLJ-QFIPXVFZSA-N 0 3 442.523 4.235 40 0 IIABHN Cc1csc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4[nH]nc5ccc(C)cc54)CCO3)c2)n1 ZINC000257239437 568683496 /nfs/dbraw/zinc/68/34/96/568683496.db2.gz HPGRDACQYIAUNH-FQEVSTJZSA-N 0 3 448.552 4.297 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257263369 568694637 /nfs/dbraw/zinc/69/46/37/568694637.db2.gz LPNOMODPQUTIHF-MHZLTWQESA-N 0 3 447.579 4.300 40 0 IIABHN CC[C@H](C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1)N1CCCC1 ZINC000257277523 568701017 /nfs/dbraw/zinc/70/10/17/568701017.db2.gz NYHCASIVUDHSIC-JOCHJYFZSA-N 0 3 425.552 4.248 40 0 IIABHN Cc1nc2cc([C@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293007 568708183 /nfs/dbraw/zinc/70/81/83/568708183.db2.gz QNTZVGKVUYRKCU-ZJSXRUAMSA-N 0 3 435.616 4.298 40 0 IIABHN COc1cccc2c1OC1(CCN(Cc3ccc4c(c3)OCCO4)CC1)[C@H]1CCCO[C@H]21 ZINC000257296408 568709571 /nfs/dbraw/zinc/70/95/71/568709571.db2.gz RCSAYPHWNHEGLG-GBXCKJPGSA-N 0 3 437.536 4.361 40 0 IIABHN Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5N(C)[C@@H]4Cc3ccccc3)nc12 ZINC000257315469 568718073 /nfs/dbraw/zinc/71/80/73/568718073.db2.gz VBNHDNTZKDPUMU-KLWMKENUSA-N 0 3 428.580 4.341 40 0 IIABHN CCn1nc(C)c(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)c1C ZINC000257344394 568730421 /nfs/dbraw/zinc/73/04/21/568730421.db2.gz ZXANZRRTPQCZKS-HXUWFJFHSA-N 0 3 434.588 4.041 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3Cl)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306127773 568764911 /nfs/dbraw/zinc/76/49/11/568764911.db2.gz GHJFXWXSYPYRLI-RDPSFJRHSA-N 0 3 426.992 4.346 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3F)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137212 568769971 /nfs/dbraw/zinc/76/99/71/568769971.db2.gz QPBNBSHKQYKWLS-BKMJKUGQSA-N 0 3 447.558 4.016 40 0 IIABHN CN(C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)n1 ZINC000328958462 568807461 /nfs/dbraw/zinc/80/74/61/568807461.db2.gz AOWGUFNSHDCPHZ-UHFFFAOYSA-N 0 3 435.881 4.377 40 0 IIABHN C[C@]1(N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420041 568863306 /nfs/dbraw/zinc/86/33/06/568863306.db2.gz DQZVFHXIOQDRME-NRFANRHFSA-N 0 3 441.424 4.162 40 0 IIABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019570229 569227078 /nfs/dbraw/zinc/22/70/78/569227078.db2.gz KPSGNWCGUSETNL-WNCULLNHSA-N 0 3 429.564 4.402 40 0 IIABHN CCOc1ccc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2F)cc1CO ZINC000019713178 569235457 /nfs/dbraw/zinc/23/54/57/569235457.db2.gz ITNPPLZEYDTDNW-RPWUZVMVSA-N 0 3 440.559 4.262 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C1)CCC2 ZINC000019763143 569237862 /nfs/dbraw/zinc/23/78/62/569237862.db2.gz SAMZNSVFAOZLED-QFIPXVFZSA-N 0 3 448.611 4.288 40 0 IIABHN COc1ccccc1CN1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765346 569238844 /nfs/dbraw/zinc/23/88/44/569238844.db2.gz OBXSALRUSGZSJK-OAQYLSRUSA-N 0 3 448.542 4.242 40 0 IIABHN COc1cc(/C=C2/SC(=N)N(c3nccs3)C2=O)ccc1OCCN1CCCCC1 ZINC000008780839 569290543 /nfs/dbraw/zinc/29/05/43/569290543.db2.gz PVVSGVYPQZDSMK-JZULZFIZSA-N 0 3 444.582 4.072 40 0 IIABHN CNC(=O)c1cc([C@H]2CCN(Cc3cccc(Oc4ncccn4)c3)C2)nc2ccccc21 ZINC000019761924 569328789 /nfs/dbraw/zinc/32/87/89/569328789.db2.gz WSJPACKPFMOWHF-IBGZPJMESA-N 0 3 439.519 4.166 40 0 IIABHN COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000022075732 522451684 /nfs/dbraw/zinc/45/16/84/522451684.db2.gz FUPWYEDRZSITSQ-UHFFFAOYSA-N 0 3 425.356 4.003 40 0 IIABHN COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000012706569 524608562 /nfs/dbraw/zinc/60/85/62/524608562.db2.gz CTGMOYHPFCGRMA-UHFFFAOYSA-N 0 3 448.567 4.283 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@H]3C2=O)cc1 ZINC000100939427 556612455 /nfs/dbraw/zinc/61/24/55/556612455.db2.gz MSOIFKSYWYSVLK-SMIHKQSGSA-N 0 3 444.487 4.145 40 0 IIABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCc1ccc(F)cc1 ZINC000016611366 556618093 /nfs/dbraw/zinc/61/80/93/556618093.db2.gz QYTQTUFWKUKJBB-QGZVFWFLSA-N 0 3 426.326 4.426 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081821 556696409 /nfs/dbraw/zinc/69/64/09/556696409.db2.gz NHCVPLXYQUOXQQ-WZONZLPQSA-N 0 3 425.573 4.214 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081823 556696468 /nfs/dbraw/zinc/69/64/68/556696468.db2.gz NHCVPLXYQUOXQQ-FDDCHVKYSA-N 0 3 425.573 4.214 40 0 IIABHN COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCN3CCC(C)CC3)CCCO2)c1 ZINC000257327715 556705183 /nfs/dbraw/zinc/70/51/83/556705183.db2.gz XCJLQWZYNMVYKB-MHZLTWQESA-N 0 3 436.596 4.302 40 0 IIABHN CN([C@H]1CCCN(Cc2ccccc2N2CCCC2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257269492 556713359 /nfs/dbraw/zinc/71/33/59/556713359.db2.gz MQGCILQSFDXSMP-DEOSSOPVSA-N 0 3 441.641 4.103 40 0 IIABHN COc1ccc2[nH]c(C)c([C@@H](O)CN3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219201 556713667 /nfs/dbraw/zinc/71/36/67/556713667.db2.gz WJEYBZOIXSLARQ-PKTZIBPZSA-N 0 3 436.552 4.177 40 0 IIABHN COc1ccc2[nH]c(C)c([C@H](O)CN3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)c2c1 ZINC000019219210 556713852 /nfs/dbraw/zinc/71/38/52/556713852.db2.gz WJEYBZOIXSLARQ-XZOQPEGZSA-N 0 3 436.552 4.177 40 0 IIABHN CN1C(=O)CCC[C@]12CN(C(=O)c1ccccc1CN1CCCC1)C[C@H]2c1ccc(F)cc1 ZINC000257294946 556716642 /nfs/dbraw/zinc/71/66/42/556716642.db2.gz QWJKLOCFWNTTGG-RPLLCQBOSA-N 0 3 449.570 4.042 40 0 IIABHN CCc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000894977 556740764 /nfs/dbraw/zinc/74/07/64/556740764.db2.gz SFBMSOGZCIBHMK-UHFFFAOYSA-N 0 3 436.625 4.468 40 0 IIABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019448949 556759090 /nfs/dbraw/zinc/75/90/90/556759090.db2.gz XRLQRDYCYHBKCE-MHZLTWQESA-N 0 3 428.580 4.493 40 0 IIABHN C/C(=C\c1ccccc1)CN1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019450109 556761009 /nfs/dbraw/zinc/76/10/09/556761009.db2.gz RBUXPDNMUYDAGT-MOVXLXCVSA-N 0 3 447.627 4.110 40 0 IIABHN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019454028 556764611 /nfs/dbraw/zinc/76/46/11/556764611.db2.gz LBAYCKXWRSDZMR-HHHXNRCGSA-N 0 3 443.595 4.233 40 0 IIABHN CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2cnc(CC)nc2)C1 ZINC000019523315 556780563 /nfs/dbraw/zinc/78/05/63/556780563.db2.gz OBANFLHXEPGQOO-MHZLTWQESA-N 0 3 428.580 4.277 40 0 IIABHN CCn1cc(CN2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)cn1 ZINC000019524906 556782460 /nfs/dbraw/zinc/78/24/60/556782460.db2.gz ZGUDXKBNFLJXNL-MHZLTWQESA-N 0 3 445.611 4.315 40 0 IIABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 ZINC000019532677 556792894 /nfs/dbraw/zinc/79/28/94/556792894.db2.gz KVYPZZFLYAOKGP-FGZHOGPDSA-N 0 3 431.960 4.431 40 0 IIABHN COc1ccc(C2(NCc3cn(CC(=O)N4CCOCC4)c4ccccc34)CCCC2)cc1 ZINC000019553807 556797512 /nfs/dbraw/zinc/79/75/12/556797512.db2.gz DKVQJJAKBRWDEA-UHFFFAOYSA-N 0 3 447.579 4.068 40 0 IIABHN Cc1nc([C@H]2CCCN(Cc3ccc(-c4ccccn4)cc3)C2)nc2c1CCC(=O)N2C ZINC000019741531 556883858 /nfs/dbraw/zinc/88/38/58/556883858.db2.gz RIHFMVATXGHWRO-NRFANRHFSA-N 0 3 427.552 4.136 40 0 IIABHN O=C(NCCCc1ccc(F)cc1)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752765 556896498 /nfs/dbraw/zinc/89/64/98/556896498.db2.gz ZHSBDNMKWRDOCD-JOCHJYFZSA-N 0 3 432.543 4.358 40 0 IIABHN Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(Cc3ccc4[nH]ccc4c3)CC2)n1 ZINC000019754924 556898060 /nfs/dbraw/zinc/89/80/60/556898060.db2.gz MIVWRUSMWUEBFU-UHFFFAOYSA-N 0 3 434.569 4.065 40 0 IIABHN Cc1ncc(CN2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327243 556903675 /nfs/dbraw/zinc/90/36/75/556903675.db2.gz YKBFYENQMLKHFW-DEOSSOPVSA-N 0 3 435.959 4.305 40 0 IIABHN CN1CCC(C(=O)N2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072359853 556933143 /nfs/dbraw/zinc/93/31/43/556933143.db2.gz LXEOCJDOFDWRPI-SFHVURJKSA-N 0 3 432.490 4.210 40 0 IIABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cnc(N(C)C)nc1 ZINC000072370731 556936396 /nfs/dbraw/zinc/93/63/96/556936396.db2.gz XWAYTHFEVIEPFV-SFHVURJKSA-N 0 3 437.613 4.104 40 0 IIABHN O=C(c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccncc1)N1CCOCC1 ZINC000072380039 556957264 /nfs/dbraw/zinc/95/72/64/556957264.db2.gz KGYVMSNTJPCHEA-FQEVSTJZSA-N 0 3 435.593 4.366 40 0 IIABHN O=C(Cc1cn2ccsc2n1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393400 556964268 /nfs/dbraw/zinc/96/42/68/556964268.db2.gz PLRYREZZESXFRT-UHFFFAOYSA-N 0 3 443.016 4.294 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000072398603 556970394 /nfs/dbraw/zinc/97/03/94/556970394.db2.gz HREILENEUGTJQZ-CPJSRVTESA-N 0 3 449.595 4.482 40 0 IIABHN CCOc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000023471985 557093641 /nfs/dbraw/zinc/09/36/41/557093641.db2.gz RISRUYQNEXHLTJ-UHFFFAOYSA-N 0 3 439.383 4.393 40 0 IIABHN Cc1ccc(NC(=O)c2ncn3c2nccc3C2CCN(Cc3ccncc3)CC2)c(C)c1 ZINC000096267259 557192698 /nfs/dbraw/zinc/19/26/98/557192698.db2.gz LCHBLMGQGKBTPN-UHFFFAOYSA-N 0 3 440.551 4.373 40 0 IIABHN CCc1nccn1CCCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273524 557215816 /nfs/dbraw/zinc/21/58/16/557215816.db2.gz PDDQNBKOFNHVDZ-HHHXNRCGSA-N 0 3 449.595 4.321 40 0 IIABHN Cc1nccn1CCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585273532 557215903 /nfs/dbraw/zinc/21/59/03/557215903.db2.gz PDGZBLAXHMPECU-UHFFFAOYSA-N 0 3 449.595 4.293 40 0 IIABHN COc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000022928573 557271548 /nfs/dbraw/zinc/27/15/48/557271548.db2.gz NTIYZILRYOGNGI-XMMPIXPASA-N 0 3 438.620 4.227 40 0 IIABHN CC[C@@H]1CCCCN1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000100743699 557274267 /nfs/dbraw/zinc/27/42/67/557274267.db2.gz ASFLOVJFLPKMHH-QHAWAJNXSA-N 0 3 439.604 4.403 40 0 IIABHN COc1ccc(CN[C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1OC ZINC000100744454 557275279 /nfs/dbraw/zinc/27/52/79/557275279.db2.gz OZRDUWWJEXUBPZ-DEOSSOPVSA-N 0 3 433.512 4.001 40 0 IIABHN COc1ccc(C)cc1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000072344829 557376962 /nfs/dbraw/zinc/37/69/62/557376962.db2.gz RSSFOWICYQFPOD-NRFANRHFSA-N 0 3 432.568 4.379 40 0 IIABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)O2 ZINC000013998261 557402931 /nfs/dbraw/zinc/40/29/31/557402931.db2.gz GDGZINJWZUMYRA-NHCUHLMSSA-N 0 3 446.385 4.450 40 0 IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000017096264 557488185 /nfs/dbraw/zinc/48/81/85/557488185.db2.gz CTZQIBHWUPSBQE-LFYBBSHMSA-N 0 3 428.989 4.008 40 0 IIABHN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223750355 557509108 /nfs/dbraw/zinc/50/91/08/557509108.db2.gz VHRRPJIIZXKYCZ-XZOQPEGZSA-N 0 3 427.533 4.453 40 0 IIABHN COc1ccc(S(=O)(=O)[N-]Cc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1Cl ZINC000224605208 557630102 /nfs/dbraw/zinc/63/01/02/557630102.db2.gz IEGZAXKSQJZATN-UHFFFAOYSA-N 0 3 429.369 4.076 40 0 IIABHN COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225773066 557775568 /nfs/dbraw/zinc/77/55/68/557775568.db2.gz PEJDQWZNIDXICN-UHFFFAOYSA-N 0 3 447.988 4.086 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3cccc(OCCn4cccn4)c3)CC2)cc1 ZINC000585270051 568616900 /nfs/dbraw/zinc/61/69/00/568616900.db2.gz BHMSJIZUSCKDGG-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN Cc1cnn(CCOc2cccc(CN3CCC[C@@](O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270632 568617177 /nfs/dbraw/zinc/61/71/77/568617177.db2.gz HCZHRQUQASLRBZ-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN Cc1nccn1CCOc1ccc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274774 568618587 /nfs/dbraw/zinc/61/85/87/568618587.db2.gz ZLLRMFRKRUBJCV-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN3CCCC3)cc2)n1 ZINC000257218890 568673746 /nfs/dbraw/zinc/67/37/46/568673746.db2.gz DESNQWKHURUJGU-XMMPIXPASA-N 0 3 445.567 4.028 40 0 IIABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCC[NH+](C)C)cc(Br)c1OC2(C)C ZINC000257221248 568674967 /nfs/dbraw/zinc/67/49/67/568674967.db2.gz DOCOMNACPFOBBG-UMVBOHGHSA-N 0 3 439.394 4.137 40 0 IIABHN CN(CCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1cccnc1 ZINC000257256779 568691828 /nfs/dbraw/zinc/69/18/28/568691828.db2.gz KMWIFWADHMTZMB-JOCHJYFZSA-N 0 3 435.959 4.378 40 0 IIABHN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)CC1 ZINC000257298040 568710435 /nfs/dbraw/zinc/71/04/35/568710435.db2.gz RJWGJXSBZIDIIO-FQEVSTJZSA-N 0 3 438.547 4.237 40 0 IIABHN COc1ccc(NC(=O)CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)cc1 ZINC000257304464 568713290 /nfs/dbraw/zinc/71/32/90/568713290.db2.gz SLUHAKSUVYTUDW-UHFFFAOYSA-N 0 3 449.530 4.494 40 0 IIABHN COc1cc(CCC(=O)N2CC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)on1 ZINC000257342576 568729635 /nfs/dbraw/zinc/72/96/35/568729635.db2.gz ZPHFKDHFWITBFB-KRWDZBQOSA-N 0 3 436.512 4.088 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3cccc(Cl)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306129077 568765449 /nfs/dbraw/zinc/76/54/49/568765449.db2.gz HTWUOOZYSMRVNT-XUZZJYLKSA-N 0 3 426.992 4.346 40 0 IIABHN O=C1N(Cc2cccnc2)CC[C@]12CN(Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306133071 568767748 /nfs/dbraw/zinc/76/77/48/568767748.db2.gz MAWXXDZJNFFLJW-ILBGXUMGSA-N 0 3 432.955 4.148 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306141734 568772366 /nfs/dbraw/zinc/77/23/66/568772366.db2.gz WEXXIWRMGLSNOW-XUZZJYLKSA-N 0 3 426.992 4.346 40 0 IIABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329034885 568809887 /nfs/dbraw/zinc/80/98/87/568809887.db2.gz RCAXKRHUGYDQFU-UHFFFAOYSA-N 0 3 435.881 4.377 40 0 IIABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000226259427 569177805 /nfs/dbraw/zinc/17/78/05/569177805.db2.gz QJKUYYQODNDWLE-UHFFFAOYSA-N 0 3 437.769 4.079 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000019555098 569227112 /nfs/dbraw/zinc/22/71/12/569227112.db2.gz BLUMNIDFEGVAGV-HFZDXXHNSA-N 0 3 445.563 4.482 40 0 IIABHN CCc1nc(-c2cncnc2[C@H]2CCN(Cc3ccc(OC(C)C)c(COC)c3)C2)no1 ZINC000019693715 569229193 /nfs/dbraw/zinc/22/91/93/569229193.db2.gz IYAVWTFTFVRHDP-SFHVURJKSA-N 0 3 437.544 4.012 40 0 IIABHN CNC(=O)c1cc([C@@H]2CCN(Cc3cccc(Oc4ncccn4)c3)C2)nc2ccccc21 ZINC000019761921 569328785 /nfs/dbraw/zinc/32/87/85/569328785.db2.gz WSJPACKPFMOWHF-LJQANCHMSA-N 0 3 439.519 4.166 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000012285177 524394833 /nfs/dbraw/zinc/39/48/33/524394833.db2.gz FOSNTVDHSDNFAX-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1Br ZINC000408604035 555973420 /nfs/dbraw/zinc/97/34/20/555973420.db2.gz CVXDNGRVVNCXHW-LJQANCHMSA-N 0 3 429.358 4.121 40 0 IIABHN COc1ccc(NC(=O)CC2C(=O)N(Cc3ccc(C)cc3)c3nc4ccccc4n32)cc1 ZINC000039963996 556630674 /nfs/dbraw/zinc/63/06/74/556630674.db2.gz YOLHHFPBUNGQQF-HSZRJFAPSA-N 0 3 440.503 4.470 40 0 IIABHN C[C@@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964064 556631272 /nfs/dbraw/zinc/63/12/72/556631272.db2.gz UUEVYYMIERPHLK-XFQXTVEOSA-N 0 3 446.507 4.260 40 0 IIABHN O=C(CC1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000039964083 556631401 /nfs/dbraw/zinc/63/14/01/556631401.db2.gz SZAOQTUDMKMHCT-FQEVSTJZSA-N 0 3 446.507 4.404 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000101020148 556644974 /nfs/dbraw/zinc/64/49/74/556644974.db2.gz WOETXSICZKRVLL-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857167 556672792 /nfs/dbraw/zinc/67/27/92/556672792.db2.gz DIJVWTCLAQTOAJ-IBGZPJMESA-N 0 3 448.588 4.139 40 0 IIABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019022405 556694196 /nfs/dbraw/zinc/69/41/96/556694196.db2.gz HVZDYOMOKCHBTM-RPBOFIJWSA-N 0 3 446.547 4.182 40 0 IIABHN O=C(CCC[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1)Nc1nccs1 ZINC000257323663 556704517 /nfs/dbraw/zinc/70/45/17/556704517.db2.gz WLHGJATZXKKBJR-FCHUYYIVSA-N 0 3 448.592 4.183 40 0 IIABHN COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCN3CCCCC3)CCCO2)cc1 ZINC000257325636 556704853 /nfs/dbraw/zinc/70/48/53/556704853.db2.gz WTTXPMIFTBPNJB-AREMUKBSSA-N 0 3 440.559 4.195 40 0 IIABHN COc1ccccc1-c1cccc(CC2(C(=O)NC[C@@H]3CCCN(C)C3)CCOCC2)c1 ZINC000257231819 556709345 /nfs/dbraw/zinc/70/93/45/556709345.db2.gz GIHURWAXKOLCQQ-QFIPXVFZSA-N 0 3 436.596 4.160 40 0 IIABHN Cc1cc(C)n(CCCOc2cccc(CN3CCC[C@@](O)(COc4ccccc4)C3)c2)n1 ZINC000257274908 556714142 /nfs/dbraw/zinc/71/41/42/556714142.db2.gz NNDZAZIZGFRPHF-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN Cn1c2ccccc2nc1CN1CC=CC[C@@]2(C(=O)NCc3ccc(F)cc3)CCC[C@@H]12 ZINC000019289935 556729540 /nfs/dbraw/zinc/72/95/40/556729540.db2.gz ZJRCCRHANMJVEB-ZEQKJWHPSA-N 0 3 432.543 4.330 40 0 IIABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376353 556752215 /nfs/dbraw/zinc/75/22/15/556752215.db2.gz HMHJSCHUAWZGCF-ZEQRLZLVSA-N 0 3 431.532 4.159 40 0 IIABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3nccnc3c2)C1)c1cccs1 ZINC000019400619 556753198 /nfs/dbraw/zinc/75/31/98/556753198.db2.gz LEHFGDXBKSYYEZ-NTKDMRAZSA-N 0 3 443.576 4.470 40 0 IIABHN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccncc2)C1 ZINC000019448953 556759042 /nfs/dbraw/zinc/75/90/42/556759042.db2.gz UMIDYTSIFAOTBX-MHZLTWQESA-N 0 3 428.580 4.493 40 0 IIABHN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccc(F)cc4)[n-]c(=O)c3C2)CC1 ZINC000019496002 556768596 /nfs/dbraw/zinc/76/85/96/556768596.db2.gz JROFTVQXGDNICF-ORWMALAUSA-N 0 3 438.547 4.235 40 0 IIABHN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccc(F)cc4)[n-]c(=O)c3C2)CC1 ZINC000019496002 556768598 /nfs/dbraw/zinc/76/85/98/556768598.db2.gz JROFTVQXGDNICF-ORWMALAUSA-N 0 3 438.547 4.235 40 0 IIABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499315 556771134 /nfs/dbraw/zinc/77/11/34/556771134.db2.gz NOVXMTZAJTXZRK-PKTZIBPZSA-N 0 3 438.568 4.036 40 0 IIABHN CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499320 556771157 /nfs/dbraw/zinc/77/11/57/556771157.db2.gz NOWPEOFLDJDBCM-NHCUHLMSSA-N 0 3 444.959 4.073 40 0 IIABHN CCN1CCN(Cc2ccc(OC)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527709 556787007 /nfs/dbraw/zinc/78/70/07/556787007.db2.gz YHDKGBWEJRLGHW-DEOSSOPVSA-N 0 3 429.564 4.280 40 0 IIABHN Cc1c2ccccc2oc1C(=O)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019566024 556806499 /nfs/dbraw/zinc/80/64/99/556806499.db2.gz AEQZPKLBMHKWFK-JOCHJYFZSA-N 0 3 433.552 4.331 40 0 IIABHN COc1ccccc1CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019570105 556810084 /nfs/dbraw/zinc/81/00/84/556810084.db2.gz XAFQWGFCBGZOKU-MHZLTWQESA-N 0 3 429.564 4.402 40 0 IIABHN COc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c(C)c1C ZINC000019577317 556815471 /nfs/dbraw/zinc/81/54/71/556815471.db2.gz LUCIQTCCHXQZSO-UHFFFAOYSA-N 0 3 432.572 4.005 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000004231265 556820640 /nfs/dbraw/zinc/82/06/40/556820640.db2.gz DLNDXNJYFNDOAX-UHFFFAOYSA-N 0 3 426.948 4.340 40 0 IIABHN CC[C@H](C)NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCN1CC ZINC000004217049 556821359 /nfs/dbraw/zinc/82/13/59/556821359.db2.gz AELTZOPKAFPBLU-LAUBAEHRSA-N 0 3 428.646 4.104 40 0 IIABHN Cc1nn(C)cc1CN1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000019583784 556821426 /nfs/dbraw/zinc/82/14/26/556821426.db2.gz RRWJQSWECJSQRU-XMMPIXPASA-N 0 3 437.975 4.249 40 0 IIABHN COCc1ccc(OC)c(CN2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)c1 ZINC000019584471 556821901 /nfs/dbraw/zinc/82/19/01/556821901.db2.gz HLFJCWQVVSHSFD-UHFFFAOYSA-N 0 3 447.583 4.139 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 ZINC000008586312 556841854 /nfs/dbraw/zinc/84/18/54/556841854.db2.gz SDACTFXNGMCQLR-JOCHJYFZSA-N 0 3 438.616 4.474 40 0 IIABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000019698724 556857735 /nfs/dbraw/zinc/85/77/35/556857735.db2.gz BYINLOHPNPNOOY-KRWDZBQOSA-N 0 3 448.567 4.394 40 0 IIABHN Cc1nc2cc([C@@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000072351283 556920955 /nfs/dbraw/zinc/92/09/55/556920955.db2.gz UDYHQPIBEFZRHE-RXVVDRJESA-N 0 3 445.558 4.153 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C1)OCCO2 ZINC000072375041 556950569 /nfs/dbraw/zinc/95/05/69/556950569.db2.gz GHRXTEDMFVGWIR-GOSISDBHSA-N 0 3 447.539 4.083 40 0 IIABHN COc1cc(C)c(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000072398662 556970386 /nfs/dbraw/zinc/97/03/86/556970386.db2.gz CIHJJHNMJQTKQT-LVXARBLLSA-N 0 3 444.579 4.485 40 0 IIABHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000257277177 556993320 /nfs/dbraw/zinc/99/33/20/556993320.db2.gz NWTKMFHFVNJVJQ-LLMJNHHCSA-N 0 3 428.577 4.041 40 0 IIABHN CN1CCN(C(=O)C[C@@H]2CC3(CCN(Cc4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000096052937 557166384 /nfs/dbraw/zinc/16/63/84/557166384.db2.gz WTTTXIQGHMMCER-JOCHJYFZSA-N 0 3 435.587 4.011 40 0 IIABHN COCCNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053374 557166783 /nfs/dbraw/zinc/16/67/83/557166783.db2.gz OYOHSGQVBPMILC-LJQANCHMSA-N 0 3 428.598 4.110 40 0 IIABHN COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NC[C@@H]3CCCN(C)C3)CCCO2)cc1 ZINC000585262576 557202678 /nfs/dbraw/zinc/20/26/78/557202678.db2.gz UNLVBCPRLYGXCA-RXFWQSSRSA-N 0 3 440.559 4.051 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 ZINC000585270241 557214264 /nfs/dbraw/zinc/21/42/64/557214264.db2.gz ASRBXFXOSPGLAA-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1cnn(CCOc2cccc(CN3CCC(O)(COc4ccc(C)cc4C)CC3)c2)c1 ZINC000585272417 557217136 /nfs/dbraw/zinc/21/71/36/557217136.db2.gz SYDNSDQMZUCVKX-UHFFFAOYSA-N 0 3 449.595 4.293 40 0 IIABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 ZINC000223259260 557452034 /nfs/dbraw/zinc/45/20/34/557452034.db2.gz SHVGCQNJGJABON-RTWAWAEBSA-N 0 3 443.979 4.199 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000137713413 557459844 /nfs/dbraw/zinc/45/98/44/557459844.db2.gz OYAYTABGNJMOJJ-UFYCRDLUSA-N 0 3 439.393 4.152 40 0 IIABHN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223412740 557468658 /nfs/dbraw/zinc/46/86/58/557468658.db2.gz RCAVJEWGDDDJBM-DNQXCXABSA-N 0 3 441.560 4.449 40 0 IIABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(I)cc1 ZINC000224808172 557653861 /nfs/dbraw/zinc/65/38/61/557653861.db2.gz JAVNCEZLNPBEHM-UHFFFAOYSA-N 0 3 434.321 4.207 40 0 IIABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c(Cl)c1Cl ZINC000224819833 557655496 /nfs/dbraw/zinc/65/54/96/557655496.db2.gz CMBXGOGIKQRTOO-UHFFFAOYSA-N 0 3 443.396 4.466 40 0 IIABHN Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257211767 568670704 /nfs/dbraw/zinc/67/07/04/568670704.db2.gz CAHOKOLLKPXORD-SFHVURJKSA-N 0 3 426.542 4.225 40 0 IIABHN Cn1c2ccc(CN3CC[C@@H](Nc4ccccc4)[C@@H](Cc4ccccc4)C3)cc2n(C)c1=O ZINC000257256586 568691484 /nfs/dbraw/zinc/69/14/84/568691484.db2.gz KMCUFOKGXNYNND-UKILVPOCSA-N 0 3 440.591 4.422 40 0 IIABHN Cn1c2ccc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)cc2n(C)c1=O ZINC000257257446 568692109 /nfs/dbraw/zinc/69/21/09/568692109.db2.gz KPOUUWZZBXTEGE-UHFFFAOYSA-N 0 3 444.554 4.382 40 0 IIABHN CC(C)n1cnc([C@@H]2CN(Cc3ccccc3F)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137214 568770005 /nfs/dbraw/zinc/77/00/05/568770005.db2.gz QPBNBSHKQYKWLS-NVQXNPDNSA-N 0 3 447.558 4.016 40 0 IIABHN CN(C)CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329032839 568809898 /nfs/dbraw/zinc/80/98/98/568809898.db2.gz QQGMYIFFLUXCSF-UHFFFAOYSA-N 0 3 433.503 4.316 40 0 IIABHN COc1ccc(CN2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@H]32)c(OC)c1 ZINC000248140432 569207310 /nfs/dbraw/zinc/20/73/10/569207310.db2.gz PMBSDMZFIWCRCJ-NJDAHSKKSA-N 0 3 427.541 4.498 40 0 IIABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)C2)c1 ZINC000019565022 569227051 /nfs/dbraw/zinc/22/70/51/569227051.db2.gz OWNMDAOWONQVCU-YIXXDRMTSA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(-c2ccc([C@@H]3CN(C(=O)c4cccc(CN(C)C)c4)CCO3)nc2)c1 ZINC000019693578 569228979 /nfs/dbraw/zinc/22/89/79/569228979.db2.gz WGNPHVPJISRTIY-VWLOTQADSA-N 0 3 431.536 4.033 40 0 IIABHN COc1ccc(-c2nc([C@H]3CCCN(Cc4cccc(OC(C)C)c4)C3)[nH]c2C(N)=O)cc1 ZINC000019698938 569230294 /nfs/dbraw/zinc/23/02/94/569230294.db2.gz VAUJBTCDPNHKKX-FQEVSTJZSA-N 0 3 448.567 4.351 40 0 IIABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702481 569232048 /nfs/dbraw/zinc/23/20/48/569232048.db2.gz AESNCQVLWYCPNK-MRXNPFEDSA-N 0 3 449.555 4.326 40 0 IIABHN Cc1nc([C@@]2(O)CCCN(CC3=CCCOC3)CC2)sc1CCOc1ccccc1 ZINC000019705234 569234093 /nfs/dbraw/zinc/23/40/93/569234093.db2.gz RGYQTIWMJMRPJE-XMMPIXPASA-N 0 3 428.598 4.093 40 0 IIABHN COc1ccc(NC(=O)c2cnc(C3CCN(Cc4cccc(OC)c4)CC3)nc2C)cc1 ZINC000019763778 569238260 /nfs/dbraw/zinc/23/82/60/569238260.db2.gz VLLMPOMXKMLTHD-UHFFFAOYSA-N 0 3 446.551 4.434 40 0 IIABHN COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2CCc2ccccc2)cc1 ZINC000019752112 569328406 /nfs/dbraw/zinc/32/84/06/569328406.db2.gz PPSPJPBUNBMSFP-DEOSSOPVSA-N 0 3 430.552 4.103 40 0 IIABHN COc1ccccc1CN1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019756396 569328582 /nfs/dbraw/zinc/32/85/82/569328582.db2.gz UROFDQOVAQXRNO-UHFFFAOYSA-N 0 3 436.531 4.275 40 0 IIABHN COc1cc(CNCCCN2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000022074106 522446544 /nfs/dbraw/zinc/44/65/44/522446544.db2.gz UXQLPGQDVAKQPV-UHFFFAOYSA-N 0 3 439.383 4.393 40 0 IIABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CCCN3CCCC3=O)C2)n1 ZINC000072352026 525305633 /nfs/dbraw/zinc/30/56/33/525305633.db2.gz FJEKGEXKXLOOOZ-LJQANCHMSA-N 0 3 438.547 4.381 40 0 IIABHN Cn1nnnc1SCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022109350 527659702 /nfs/dbraw/zinc/65/97/02/527659702.db2.gz QAJYYTHAACUPFT-UHFFFAOYSA-N 0 3 438.384 4.368 40 0 IIABHN COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@H]3CCCCN32)cc1O ZINC000003847180 555948427 /nfs/dbraw/zinc/94/84/27/555948427.db2.gz TYTIBYQBVJUCGJ-FCEUIQTBSA-N 0 3 425.525 4.340 40 0 IIABHN COc1ccc(CN2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@@H]32)c(OC)c1 ZINC000036719487 556309708 /nfs/dbraw/zinc/30/97/08/556309708.db2.gz PMBSDMZFIWCRCJ-NJYVYQBISA-N 0 3 427.541 4.498 40 0 IIABHN O=C(Nc1ccc(I)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834838 556622812 /nfs/dbraw/zinc/62/28/12/556622812.db2.gz QTOSMBKLRGTBKQ-OAHLLOKOSA-N 0 3 438.284 4.281 40 0 IIABHN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857168 556672774 /nfs/dbraw/zinc/67/27/74/556672774.db2.gz DIJVWTCLAQTOAJ-LJQANCHMSA-N 0 3 448.588 4.139 40 0 IIABHN COc1cc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc(OC)c1OC ZINC000044917681 556681972 /nfs/dbraw/zinc/68/19/72/556681972.db2.gz FSMSJUFGAYNDIH-UHFFFAOYSA-N 0 3 446.547 4.201 40 0 IIABHN CC(C)(C)C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000019081218 556696148 /nfs/dbraw/zinc/69/61/48/556696148.db2.gz CLRAWDCORFOQBH-NRFANRHFSA-N 0 3 442.648 4.282 40 0 IIABHN COCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cc(C(C)(C)C)ccc2OC)CC1 ZINC000019084428 556698455 /nfs/dbraw/zinc/69/84/55/556698455.db2.gz HGRNJQPGOHFHPC-VWLOTQADSA-N 0 3 439.600 4.104 40 0 IIABHN COCCOc1cc(CN2CCC(COc3cccc(Cl)c3)(OC)CC2)ccc1OC ZINC000257207225 556702072 /nfs/dbraw/zinc/70/20/72/556702072.db2.gz BGWPYAGQNUYMKO-UHFFFAOYSA-N 0 3 449.975 4.434 40 0 IIABHN CCN1CCC[C@H]1CNC(=O)C1(Cc2cccc(-c3cccc(OC)c3)c2)CCOCC1 ZINC000257323343 556704547 /nfs/dbraw/zinc/70/45/47/556704547.db2.gz WJTURLHADOUUQM-DEOSSOPVSA-N 0 3 436.596 4.302 40 0 IIABHN Cc1ccn(CCCOc2ccc(CN3CCC[C@@](O)(COc4ccccc4)C3)cc2)n1 ZINC000257229306 556709019 /nfs/dbraw/zinc/70/90/19/556709019.db2.gz FXOSWYZSNRBUBA-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)[nH]c4cc(C)ccc43)CC1)C[C@@H]2O ZINC000019219614 556714027 /nfs/dbraw/zinc/71/40/27/556714027.db2.gz RNQJOQQXVTWEQC-XZOQPEGZSA-N 0 3 436.552 4.177 40 0 IIABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)C2ON1c1ccccc1 ZINC000013750159 556725535 /nfs/dbraw/zinc/72/55/35/556725535.db2.gz HZCHVXGZXPEOCQ-OTWHNJEPSA-N 0 3 429.314 4.318 40 0 IIABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 ZINC000000880610 556732307 /nfs/dbraw/zinc/73/23/07/556732307.db2.gz NTRQCNBTBTWZAN-UHFFFAOYSA-N 0 3 428.989 4.251 40 0 IIABHN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000013804569 556743024 /nfs/dbraw/zinc/74/30/24/556743024.db2.gz HQSPYXVGXOZEBV-VABKMULXSA-N 0 3 432.451 4.276 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000013803665 556743171 /nfs/dbraw/zinc/74/31/71/556743171.db2.gz GLVBQKOMRGPEFT-VJBWXMMDSA-N 0 3 432.451 4.276 40 0 IIABHN O=C(N[C@@H](C[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400903 556753403 /nfs/dbraw/zinc/75/34/03/556753403.db2.gz VQJVJDVXNVGRDF-GGAORHGYSA-N 0 3 435.568 4.255 40 0 IIABHN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)[C@H](C)N4CCCCC4)C3)cc2n1 ZINC000019452382 556763339 /nfs/dbraw/zinc/76/33/39/556763339.db2.gz NYFITACOMNLAHY-HOTGVXAUSA-N 0 3 437.510 4.062 40 0 IIABHN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019503565 556775340 /nfs/dbraw/zinc/77/53/40/556775340.db2.gz OBTCKCZMBZYFTO-HHHXNRCGSA-N 0 3 428.580 4.495 40 0 IIABHN CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2cnc(CC)nc2)C1 ZINC000019523314 556780431 /nfs/dbraw/zinc/78/04/31/556780431.db2.gz OBANFLHXEPGQOO-HHHXNRCGSA-N 0 3 428.580 4.277 40 0 IIABHN COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4cccc(OC)c4)C3)no2)cc1 ZINC000019555829 556799034 /nfs/dbraw/zinc/79/90/34/556799034.db2.gz PWPICUNPOMGEAQ-FQEVSTJZSA-N 0 3 435.524 4.001 40 0 IIABHN COc1cccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1OC ZINC000019584590 556822044 /nfs/dbraw/zinc/82/20/44/556822044.db2.gz RMFNCAIFODIQJH-IBGZPJMESA-N 0 3 433.556 4.001 40 0 IIABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc12 ZINC000008586311 556841750 /nfs/dbraw/zinc/84/17/50/556841750.db2.gz GDNTZTOIONSNHB-UHFFFAOYSA-N 0 3 436.531 4.414 40 0 aggregator IIABHN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3ccc(C)cc3OC)c2)cn1 ZINC000019690999 556846899 /nfs/dbraw/zinc/84/68/99/556846899.db2.gz YLNAWKBAUAAMHP-DEOSSOPVSA-N 0 3 430.552 4.466 40 0 IIABHN COc1cccc(CN2CCCc3c(C)nc([C@@H]4CCCN(C5CCOCC5)C4)nc32)c1 ZINC000019706628 556865012 /nfs/dbraw/zinc/86/50/12/556865012.db2.gz WKQRNRSYXDNGDI-OAQYLSRUSA-N 0 3 436.600 4.105 40 0 IIABHN CC(C)Oc1ccc(CN2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)cc1 ZINC000019756683 556900675 /nfs/dbraw/zinc/90/06/75/556900675.db2.gz POGVLGMMZBHMQN-UHFFFAOYSA-N 0 3 438.616 4.334 40 0 IIABHN Cc1cccc(CN2CCC(Cc3nn(C)cc3C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000019756653 556900712 /nfs/dbraw/zinc/90/07/12/556900712.db2.gz HSLBPQJMHDDPFB-UHFFFAOYSA-N 0 3 434.559 4.252 40 0 IIABHN COC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccccc1C(F)(F)F ZINC000019819057 556921781 /nfs/dbraw/zinc/92/17/81/556921781.db2.gz QUCQDDZJVYLKJA-OAHLLOKOSA-N 0 3 432.398 4.144 40 0 IIABHN CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352524 556924547 /nfs/dbraw/zinc/92/45/47/556924547.db2.gz SSCGGAIJZPMTJX-OAHLLOKOSA-N 0 3 434.565 4.146 40 0 IIABHN CN(CCO)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccccn1 ZINC000072380082 556957564 /nfs/dbraw/zinc/95/75/64/556957564.db2.gz OSOQZKJPDYZEHP-HXUWFJFHSA-N 0 3 437.609 4.348 40 0 IIABHN COc1ccccc1CN1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000072395958 556968276 /nfs/dbraw/zinc/96/82/76/556968276.db2.gz AYUDPSPPJMMXEP-SANMLTNESA-N 0 3 433.552 4.263 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1OC ZINC000072398581 556969979 /nfs/dbraw/zinc/96/99/79/556969979.db2.gz WERUYJYCNVSCAS-CVDCTZTESA-N 0 3 425.573 4.214 40 0 IIABHN CC[C@@H]1CCCCN1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000257203927 556980559 /nfs/dbraw/zinc/98/05/59/556980559.db2.gz ASFLOVJFLPKMHH-NJDAHSKKSA-N 0 3 439.604 4.403 40 0 IIABHN CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2cnn(C)c2)CC1 ZINC000585166476 557128098 /nfs/dbraw/zinc/12/80/98/557128098.db2.gz YFYCWPBMRGJTAN-UHFFFAOYSA-N 0 3 430.596 4.437 40 0 IIABHN COc1cccc(-c2ccc3cc(C(=O)N4CC[C@H](N(C)C)C4)c(-c4cocn4)n3c2)c1 ZINC000096155541 557180099 /nfs/dbraw/zinc/18/00/99/557180099.db2.gz UWJVFRRHJRZAMW-FQEVSTJZSA-N 0 3 430.508 4.046 40 0 IIABHN COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC[C@@H]3CCCN(C)C3)CCCO2)cc1 ZINC000585262571 557202568 /nfs/dbraw/zinc/20/25/68/557202568.db2.gz UNLVBCPRLYGXCA-FNZWTVRRSA-N 0 3 440.559 4.051 40 0 IIABHN O[C@]1(COc2ccccc2)CCCN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C1 ZINC000585280238 557219688 /nfs/dbraw/zinc/21/96/88/557219688.db2.gz KFYKXGYQEFMWFD-XMMPIXPASA-N 0 3 441.959 4.021 40 0 IIABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000097743287 557223470 /nfs/dbraw/zinc/22/34/70/557223470.db2.gz KHWAVBYANPTJJF-FSSWDIPSSA-N 0 3 434.879 4.400 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102728209 557306416 /nfs/dbraw/zinc/30/64/16/557306416.db2.gz FYHTYUXWMHZIRA-AQNXPRMDSA-N 0 3 440.286 4.440 40 0 IIABHN COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2Cc2ccc3nccnc3c2)c1 ZINC000072377123 557389360 /nfs/dbraw/zinc/38/93/60/557389360.db2.gz JRCCMKWXKDJPSW-QHCPKHFHSA-N 0 3 426.524 4.405 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000101168030 557416202 /nfs/dbraw/zinc/41/62/02/557416202.db2.gz AWTVSNZKEXJBJA-SMIHKQSGSA-N 0 3 428.488 4.445 40 0 IIABHN C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000223668446 557499750 /nfs/dbraw/zinc/49/97/50/557499750.db2.gz HSOFILNXYXHMKM-UHFFFAOYSA-N 0 3 430.570 4.064 40 0 IIABHN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225773230 557775526 /nfs/dbraw/zinc/77/55/26/557775526.db2.gz QFBGDQLORRLZAG-UHFFFAOYSA-N 0 3 441.597 4.131 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000585270003 568616660 /nfs/dbraw/zinc/61/66/60/568616660.db2.gz AMFRDXIPLMHDHQ-SANMLTNESA-N 0 3 435.568 4.104 40 0 IIABHN Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(OCCN3CCCC3)c2)n1 ZINC000257218362 568673450 /nfs/dbraw/zinc/67/34/50/568673450.db2.gz DCVVMDSJBKQORP-XMMPIXPASA-N 0 3 445.567 4.028 40 0 IIABHN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000257218769 568673717 /nfs/dbraw/zinc/67/37/17/568673717.db2.gz DEIUROWEXCJPOI-HXUWFJFHSA-N 0 3 438.547 4.237 40 0 IIABHN O=C(c1ccc(OCCN2CCCC2)cc1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000257238496 568683222 /nfs/dbraw/zinc/68/32/22/568683222.db2.gz HLFSDZQOKAVHDY-OCYIUTNCSA-N 0 3 434.580 4.229 40 0 IIABHN Cc1ccc(N2C[C@@]3(CCN(Cc4ccccc4OCCN4CCCC4)C3)OC2=O)cc1 ZINC000257277778 568701223 /nfs/dbraw/zinc/70/12/23/568701223.db2.gz NZIAPIXHDVRQJY-SANMLTNESA-N 0 3 435.568 4.071 40 0 IIABHN Cc1cnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4[nH]nc5ccc(C)cc54)CCO3)c2)s1 ZINC000257279292 568701973 /nfs/dbraw/zinc/70/19/73/568701973.db2.gz OFYMBBWASABBNE-FQEVSTJZSA-N 0 3 448.552 4.297 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257295824 568709155 /nfs/dbraw/zinc/70/91/55/568709155.db2.gz RABDHUWCEQBLKL-QFIPXVFZSA-N 0 3 429.564 4.162 40 0 IIABHN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCCC(=O)Nc1nccs1 ZINC000257320635 568720253 /nfs/dbraw/zinc/72/02/53/568720253.db2.gz VXRGXDHYEDYJEF-MOPGFXCFSA-N 0 3 444.601 4.277 40 0 IIABHN C[C@]1(N(CCNCc2cccc(Cl)c2)Cc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575421189 568863141 /nfs/dbraw/zinc/86/31/41/568863141.db2.gz NLTHEIGQTUZLFT-NRFANRHFSA-N 0 3 441.424 4.162 40 0 IIABHN COCc1cc(CN2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)ccc1OC(C)C ZINC000019702517 569232101 /nfs/dbraw/zinc/23/21/01/569232101.db2.gz KKTHONHBDXXXHJ-KRWDZBQOSA-N 0 3 439.581 4.318 40 0 IIABHN Cc1ccc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCCN4)n3)CCCCC2)cc1 ZINC000019760184 569237508 /nfs/dbraw/zinc/23/75/08/569237508.db2.gz AHNQQIAMBIRLSS-JOCHJYFZSA-N 0 3 435.616 4.136 40 0 IIABHN COc1ccc(CN2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1OC ZINC000019700339 569327187 /nfs/dbraw/zinc/32/71/87/569327187.db2.gz BVUKKOHTHMDRFQ-UHFFFAOYSA-N 0 3 445.563 4.076 40 0 IIABHN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4cccc(C)c4)C3)nc2C)c1 ZINC000019758088 569328698 /nfs/dbraw/zinc/32/86/98/569328698.db2.gz AHVSPTDNJODFMZ-JOCHJYFZSA-N 0 3 430.552 4.022 40 0 IIABHN CN(C)CCCNc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329060575 569582812 /nfs/dbraw/zinc/58/28/12/569582812.db2.gz WMPGEVBKAKESPY-UHFFFAOYSA-N 0 3 432.359 4.648 40 0 IIABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32C)cc1 ZINC000036006959 525428261 /nfs/dbraw/zinc/42/82/61/525428261.db2.gz ACHWGWKDDQUFBY-PLXFJCCSSA-N 0 3 444.487 4.145 40 0 IIABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1Cl ZINC000100901550 556599756 /nfs/dbraw/zinc/59/97/56/556599756.db2.gz KIOTYXJJIYNXKL-FKBYEOEOSA-N 0 3 434.879 4.405 40 0 IIABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)c(C)c1 ZINC000100901017 556599895 /nfs/dbraw/zinc/59/98/95/556599895.db2.gz QDYNHOKMRBDKAV-XWGVYQGASA-N 0 3 428.488 4.369 40 0 IIABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019084446 556698511 /nfs/dbraw/zinc/69/85/11/556698511.db2.gz NSQZLUIKOWJEHY-XZOQPEGZSA-N 0 3 425.569 4.377 40 0 IIABHN Cc1c([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c2ccccc2n1C ZINC000019125115 556702906 /nfs/dbraw/zinc/70/29/06/556702906.db2.gz SYZLCWWVGVIYLK-DNQXCXABSA-N 0 3 434.580 4.488 40 0 IIABHN COc1cc(C)ccc1CN1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133979 556705339 /nfs/dbraw/zinc/70/53/39/556705339.db2.gz IVEKBJLYLDIVRD-FQEVSTJZSA-N 0 3 432.572 4.164 40 0 IIABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@@H](Cc3cccc4occc43)C2)CC1 ZINC000257271129 556713837 /nfs/dbraw/zinc/71/38/37/556713837.db2.gz MWZNDDYOFHNZHW-QHCPKHFHSA-N 0 3 446.591 4.405 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(O)c4)[C@@H]3C2=O)cc1 ZINC000013749663 556725526 /nfs/dbraw/zinc/72/55/26/556725526.db2.gz QQENCQLIBAWUEO-HJOGWXRNSA-N 0 3 444.487 4.232 40 0 IIABHN Cn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290366 556730560 /nfs/dbraw/zinc/73/05/60/556730560.db2.gz OETSIMZPOQHOSF-FGZHOGPDSA-N 0 3 426.944 4.216 40 0 IIABHN Oc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019374122 556750623 /nfs/dbraw/zinc/75/06/23/556750623.db2.gz FYVXUOWXUSIGAV-JWQCQUIFSA-N 0 3 431.532 4.443 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3cccn3C(C)C)C1)O2 ZINC000019454984 556765232 /nfs/dbraw/zinc/76/52/32/556765232.db2.gz MMADUJRTUVNODE-NLFFAJNJSA-N 0 3 425.573 4.099 40 0 IIABHN CCc1ncc(CN2CCC[C@](Cc3ccccc3-c3ccccc3)(C(=O)NC)C2)cn1 ZINC000019523372 556780681 /nfs/dbraw/zinc/78/06/81/556780681.db2.gz PKFOOAKUJWUMJP-HHHXNRCGSA-N 0 3 428.580 4.277 40 0 IIABHN CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(Cc2cnc(CC)nc2)C1 ZINC000019523324 556780825 /nfs/dbraw/zinc/78/08/25/556780825.db2.gz NVFABMTYTDHDNR-RUZDIDTESA-N 0 3 434.609 4.338 40 0 IIABHN CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)n[nH]2)c1C ZINC000019523866 556781153 /nfs/dbraw/zinc/78/11/53/556781153.db2.gz RXRGJZBFQKPUCJ-UHFFFAOYSA-N 0 3 436.560 4.027 40 0 IIABHN CCNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2)C1 ZINC000019528755 556789102 /nfs/dbraw/zinc/78/91/02/556789102.db2.gz GTOFSQUYFYXZJQ-MHZLTWQESA-N 0 3 446.595 4.057 40 0 IIABHN COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)CCc2ccco2)c1 ZINC000019552619 556796482 /nfs/dbraw/zinc/79/64/82/556796482.db2.gz NMTNWPIKOMGDAG-BJKOFHAPSA-N 0 3 434.536 4.014 40 0 IIABHN CNC(=O)c1[nH]c(C2CCN(Cc3cccc(C)c3OC)CC2)nc1-c1ccc(OC)cc1 ZINC000019696998 556854072 /nfs/dbraw/zinc/85/40/72/556854072.db2.gz MPMBZJLBMNEXMO-UHFFFAOYSA-N 0 3 448.567 4.142 40 0 IIABHN CC(C)n1cc(CN2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2ccccc21 ZINC000019708172 556868380 /nfs/dbraw/zinc/86/83/80/556868380.db2.gz NNQRFEUJFKSYIK-VWLOTQADSA-N 0 3 432.568 4.427 40 0 IIABHN CCCOc1ccccc1CN1CCC(Cc2nc(C)ncc2C(=O)N2CCCC2)CC1 ZINC000019757209 556901427 /nfs/dbraw/zinc/90/14/27/556901427.db2.gz MBQBGBOGXUVSEY-UHFFFAOYSA-N 0 3 436.600 4.265 40 0 IIABHN Cc1nc(C2CCN(CCOc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764175 556908709 /nfs/dbraw/zinc/90/87/09/556908709.db2.gz GADJEKFFDASMHC-UHFFFAOYSA-N 0 3 434.515 4.435 40 0 IIABHN CN1CC[C@@H](c2c3ccccc3sc2C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000072352571 556924527 /nfs/dbraw/zinc/92/45/27/556924527.db2.gz QUYKWECGYXBSHK-LJQANCHMSA-N 0 3 430.577 4.479 40 0 IIABHN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)n1 ZINC000072353752 556928030 /nfs/dbraw/zinc/92/80/30/556928030.db2.gz VSYGHIGIEDRKRO-QGZVFWFLSA-N 0 3 430.531 4.440 40 0 IIABHN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cnc(C)s1 ZINC000072370325 556934384 /nfs/dbraw/zinc/93/43/84/556934384.db2.gz WNWBXZSFILFXRZ-MRXNPFEDSA-N 0 3 429.611 4.250 40 0 IIABHN Cc1c(CN2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)cnn1C ZINC000072371461 556939022 /nfs/dbraw/zinc/93/90/22/556939022.db2.gz XKFMRJSGQSCWPO-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1c(CN2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cnn1C ZINC000072371461 556939025 /nfs/dbraw/zinc/93/90/25/556939025.db2.gz XKFMRJSGQSCWPO-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371744 556940855 /nfs/dbraw/zinc/94/08/55/556940855.db2.gz ZWIWVRRYTKCOPU-QGZVFWFLSA-N 0 3 425.964 4.135 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371744 556940858 /nfs/dbraw/zinc/94/08/58/556940858.db2.gz ZWIWVRRYTKCOPU-QGZVFWFLSA-N 0 3 425.964 4.135 40 0 IIABHN Cc1cccc(Nc2ccc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)nc2)n1 ZINC000072374310 556947636 /nfs/dbraw/zinc/94/76/36/556947636.db2.gz NFBXPPGNKVOOAF-UHFFFAOYSA-N 0 3 442.567 4.099 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000072398578 556970050 /nfs/dbraw/zinc/97/00/50/556970050.db2.gz BWUHHFMUGQHLPG-XXBNENTESA-N 0 3 425.573 4.214 40 0 IIABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000072398586 556970401 /nfs/dbraw/zinc/97/04/01/556970401.db2.gz ZJQDQLLDDBJSPI-GCJKJVERSA-N 0 3 425.573 4.214 40 0 IIABHN Cc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)c1 ZINC000585271827 557216207 /nfs/dbraw/zinc/21/62/07/557216207.db2.gz KKFIPHQSPUPATO-UHFFFAOYSA-N 0 3 449.595 4.293 40 0 IIABHN COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022928542 557271641 /nfs/dbraw/zinc/27/16/41/557271641.db2.gz BRPBAGSWPGWOKS-XMMPIXPASA-N 0 3 438.620 4.227 40 0 IIABHN CC[C@H]1CCCCN1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000100743697 557274311 /nfs/dbraw/zinc/27/43/11/557274311.db2.gz ASFLOVJFLPKMHH-HBMCJLEFSA-N 0 3 439.604 4.403 40 0 IIABHN O=C(CCc1ccc(F)cc1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355238 557387476 /nfs/dbraw/zinc/38/74/76/557387476.db2.gz DQAVHNPGCGPDGC-DEOSSOPVSA-N 0 3 431.555 4.357 40 0 IIABHN CCOc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccccc1 ZINC000016688067 557475157 /nfs/dbraw/zinc/47/51/57/557475157.db2.gz BEBOPSZXVHULGT-INIZCTEOSA-N 0 3 429.152 4.434 40 0 IIABHN CCOc1c(Br)cc(Br)cc1CNC[C@@H](O)c1ccccc1 ZINC000016688066 557475218 /nfs/dbraw/zinc/47/52/18/557475218.db2.gz BEBOPSZXVHULGT-MRXNPFEDSA-N 0 3 429.152 4.434 40 0 IIABHN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000017097596 557479476 /nfs/dbraw/zinc/47/94/76/557479476.db2.gz QDYPKFSHLYLWEM-UHFFFAOYSA-N 0 3 431.536 4.278 40 0 IIABHN O=S(=O)(Cc1cccc(Br)c1)NCc1ccccc1CN1CCCCC1 ZINC000224850283 557658678 /nfs/dbraw/zinc/65/86/78/557658678.db2.gz ZZYXWDNPEICUPR-UHFFFAOYSA-N 0 3 437.403 4.055 40 0 IIABHN O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000225904581 557789980 /nfs/dbraw/zinc/78/99/80/557789980.db2.gz BXEZSHVYHYUDHZ-OAQYLSRUSA-N 0 3 439.987 4.356 40 0 IIABHN Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc(OCCCn4cccn4)cc3)CC2)cc1 ZINC000585272838 568618176 /nfs/dbraw/zinc/61/81/76/568618176.db2.gz JVMYETLBQMUNKB-HHHXNRCGSA-N 0 3 449.595 4.457 40 0 IIABHN Cc1nc2cc([C@@H]3CCN(Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257222539 568675510 /nfs/dbraw/zinc/67/55/10/568675510.db2.gz DTROUPFIERJCHY-GOSISDBHSA-N 0 3 439.629 4.244 40 0 IIABHN O=C(NCC[C@@H]1CCCCN1C(=O)c1ccccc1CN1CCCCC1)c1ccccc1 ZINC000257227143 568677579 /nfs/dbraw/zinc/67/75/79/568677579.db2.gz FNXMFBKPFZPHPF-DEOSSOPVSA-N 0 3 433.596 4.487 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257263368 568694773 /nfs/dbraw/zinc/69/47/73/568694773.db2.gz LPNOMODPQUTIHF-HHHXNRCGSA-N 0 3 447.579 4.300 40 0 IIABHN Cc1nc2cc([C@@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257293004 568708031 /nfs/dbraw/zinc/70/80/31/568708031.db2.gz QNTZVGKVUYRKCU-QPPBQGQZSA-N 0 3 435.616 4.298 40 0 IIABHN O=C(c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C1)N1CCOCC1 ZINC000257299957 568711202 /nfs/dbraw/zinc/71/12/02/568711202.db2.gz RSIJAQAQSGIDEX-IBGZPJMESA-N 0 3 446.576 4.240 40 0 IIABHN COCc1cc(CN2CCC(c3cncc(Nc4cnccn4)n3)CC2)ccc1OC(C)C ZINC000257333977 568725932 /nfs/dbraw/zinc/72/59/32/568725932.db2.gz YDZDDXHPSKMSQE-UHFFFAOYSA-N 0 3 448.571 4.323 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 ZINC000257344987 568730774 /nfs/dbraw/zinc/73/07/74/568730774.db2.gz ZZMDWIBYUGOQPJ-DEOSSOPVSA-N 0 3 439.943 4.177 40 0 IIABHN Cc1cccc(C)c1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000329047049 568810245 /nfs/dbraw/zinc/81/02/45/568810245.db2.gz UEFQNNNVRUDFLV-UHFFFAOYSA-N 0 3 445.489 4.220 40 0 IIABHN C[C@@]1(N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420042 568863346 /nfs/dbraw/zinc/86/33/46/568863346.db2.gz DQZVFHXIOQDRME-OAQYLSRUSA-N 0 3 441.424 4.162 40 0 IIABHN Cc1nc([C@]2(O)CCCN(CC3=CCCOC3)CC2)sc1CCOc1ccccc1 ZINC000019705235 569234169 /nfs/dbraw/zinc/23/41/69/569234169.db2.gz RGYQTIWMJMRPJE-DEOSSOPVSA-N 0 3 428.598 4.093 40 0 IIABHN CCN(Cc1cn(C)nc1C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712724 569235521 /nfs/dbraw/zinc/23/55/21/569235521.db2.gz OFHDAGCXLLJZED-RTWAWAEBSA-N 0 3 439.585 4.180 40 0 IIABHN CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(CCOc2ccc(F)cc2)C1 ZINC000019739157 569236442 /nfs/dbraw/zinc/23/64/42/569236442.db2.gz QRFHVDGAIKGFNO-VWLOTQADSA-N 0 3 443.563 4.263 40 0 IIABHN Cc1ccc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCCN4)n3)CCCCC2)cc1 ZINC000019760180 569237516 /nfs/dbraw/zinc/23/75/16/569237516.db2.gz AHNQQIAMBIRLSS-QFIPXVFZSA-N 0 3 435.616 4.136 40 0 IIABHN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(Cc3ccccc3Cl)C2)n1 ZINC000019694625 569326688 /nfs/dbraw/zinc/32/66/88/569326688.db2.gz ZNQKIXQNOMXHPS-HXUWFJFHSA-N 0 3 449.986 4.342 40 0 IIABHN COc1cccc(OCCN2CCC([C@H]3CC=CCN(Cc4ccccc4)C3=O)CC2)c1 ZINC000019698388 569326856 /nfs/dbraw/zinc/32/68/56/569326856.db2.gz WUVZHYXGNOUSTG-AREMUKBSSA-N 0 3 434.580 4.391 40 0 IIABHN Cc1cc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)ccc1Br ZINC000329014019 569583970 /nfs/dbraw/zinc/58/39/70/569583970.db2.gz MTQNBRDHPNCOMR-UHFFFAOYSA-N 0 3 426.362 4.932 40 0 IIABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCCCC2)Cc2cn(Cc3nccn3C)c3cccc1c23 ZINC000049171997 291379573 /nfs/dbraw/zinc/37/95/73/291379573.db2.gz ZPRPZRMPZPBKMC-VXKWHMMOSA-N 0 3 433.600 4.037 40 0 biogenic,in-vitro IIABHN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223284107 193962673 /nfs/dbraw/zinc/96/26/73/193962673.db2.gz VDWYZRIQFQOKPM-DHIUTWEWSA-N 0 3 436.581 4.274 40 0 IIABHN COc1ccc(-c2nc(C3CC[NH+](Cc4ccc(OC(C)=O)cc4)CC3)cc(=O)[n-]2)cc1 ZINC000012219609 523225062 /nfs/dbraw/zinc/22/50/62/523225062.db2.gz SYSUQGFENSUVBZ-UHFFFAOYSA-N 0 3 433.508 4.163 40 0 IIABHN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccc(OC)c(C)c3)C1)O2 ZINC000012235408 525538477 /nfs/dbraw/zinc/53/84/77/525538477.db2.gz IKQAXIIUWAIAGU-RLWLMLJZSA-N 0 3 438.568 4.034 40 0 IIABHN Cn1nnnc1SCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022109344 527659750 /nfs/dbraw/zinc/65/97/50/527659750.db2.gz UTXQEDUSIHZJSZ-UHFFFAOYSA-N 0 3 438.384 4.368 40 0 IIABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(OC(F)(F)F)c1 ZINC000039964114 556631359 /nfs/dbraw/zinc/63/13/59/556631359.db2.gz AJWGUKLKWGTLPO-QGZVFWFLSA-N 0 3 430.386 4.014 40 0 IIABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1OC ZINC000019081937 556696663 /nfs/dbraw/zinc/69/66/63/556696663.db2.gz ZJQDQLLDDBJSPI-XMSQKQJNSA-N 0 3 425.573 4.214 40 0 IIABHN OC1(COc2ccc(CN3CCC[C@](O)(COc4ccccc4)C3)cc2)CCCCC1 ZINC000257206486 556702061 /nfs/dbraw/zinc/70/20/61/556702061.db2.gz BDROZWSUZJGKSU-AREMUKBSSA-N 0 3 425.569 4.167 40 0 IIABHN COCCOc1cc(CN2CCC[C@@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000257332906 556705874 /nfs/dbraw/zinc/70/58/74/556705874.db2.gz XZHJMIIUIBMKGD-RUZDIDTESA-N 0 3 447.547 4.310 40 0 IIABHN COc1ccccc1-c1ccccc1CN1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257337683 556706784 /nfs/dbraw/zinc/70/67/84/556706784.db2.gz YTYHRZSALNWZML-FQEVSTJZSA-N 0 3 428.536 4.096 40 0 IIABHN COc1ccccc1-c1cccc(CC2(C(=O)NCCN3CCCCC3)CCOCC2)c1 ZINC000257245630 556711119 /nfs/dbraw/zinc/71/11/19/556711119.db2.gz IQJQEVKKTQNZIG-UHFFFAOYSA-N 0 3 436.596 4.304 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000013686635 556711228 /nfs/dbraw/zinc/71/12/28/556711228.db2.gz OXYHMUFBTGERQS-HJOGWXRNSA-N 0 3 444.487 4.232 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257270524 556713752 /nfs/dbraw/zinc/71/37/52/556713752.db2.gz MUPMHXJDDHXTHC-BVAGGSTKSA-N 0 3 438.543 4.264 40 0 IIABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@H](Cc3cccc4occc43)C2)CC1 ZINC000257271128 556713904 /nfs/dbraw/zinc/71/39/04/556713904.db2.gz MWZNDDYOFHNZHW-HSZRJFAPSA-N 0 3 446.591 4.405 40 0 IIABHN Cc1ccn(CCCOc2ccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)cc2)n1 ZINC000257291275 556716360 /nfs/dbraw/zinc/71/63/60/556716360.db2.gz QGIFJTHVWCQLMD-UHFFFAOYSA-N 0 3 449.595 4.375 40 0 IIABHN Cn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290367 556730540 /nfs/dbraw/zinc/73/05/40/556730540.db2.gz OETSIMZPOQHOSF-VXKWHMMOSA-N 0 3 426.944 4.216 40 0 IIABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346071 556742676 /nfs/dbraw/zinc/74/26/76/556742676.db2.gz JZQHDJOZFKUMQA-NHCUHLMSSA-N 0 3 430.907 4.345 40 0 IIABHN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2 ZINC000019370760 556748171 /nfs/dbraw/zinc/74/81/71/556748171.db2.gz HOUXZYYBYRYRQU-XMMPIXPASA-N 0 3 448.611 4.417 40 0 IIABHN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019370760 556748175 /nfs/dbraw/zinc/74/81/75/556748175.db2.gz HOUXZYYBYRYRQU-XMMPIXPASA-N 0 3 448.611 4.417 40 0 IIABHN O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2 ZINC000019370760 556748179 /nfs/dbraw/zinc/74/81/79/556748179.db2.gz HOUXZYYBYRYRQU-XMMPIXPASA-N 0 3 448.611 4.417 40 0 IIABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccccn2)C1 ZINC000019448933 556758942 /nfs/dbraw/zinc/75/89/42/556758942.db2.gz YOZWYDXMBPIONO-MHZLTWQESA-N 0 3 428.580 4.493 40 0 IIABHN CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(C2CCCCC2)CC1 ZINC000001328018 556773427 /nfs/dbraw/zinc/77/34/27/556773427.db2.gz OCKVDLLRLLFYDC-DEOSSOPVSA-N 0 3 447.631 4.406 40 0 IIABHN CCc1ncc(CN2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523322 556780750 /nfs/dbraw/zinc/78/07/50/556780750.db2.gz PWPOLOHODYYOAK-VWLOTQADSA-N 0 3 434.609 4.291 40 0 IIABHN CCOc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc1 ZINC000019533283 556793303 /nfs/dbraw/zinc/79/33/03/556793303.db2.gz YGYNLQQKHDYYME-XMMPIXPASA-N 0 3 429.564 4.280 40 0 IIABHN COc1ccc(CN2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cc1 ZINC000019554956 556798257 /nfs/dbraw/zinc/79/82/57/556798257.db2.gz YNJLLOZHXISYNX-HHHXNRCGSA-N 0 3 429.564 4.402 40 0 IIABHN COc1cccc(CNC(=O)c2cc([C@H]3CCCN(Cc4cccc(OC)c4)C3)no2)c1 ZINC000019565613 556806197 /nfs/dbraw/zinc/80/61/97/556806197.db2.gz KLKMBDSJJBLAOP-FQEVSTJZSA-N 0 3 435.524 4.001 40 0 IIABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000072330393 556905482 /nfs/dbraw/zinc/90/54/82/556905482.db2.gz OOTFJOFRMSALTD-BWKNWUBXSA-N 0 3 437.584 4.359 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cc1OC ZINC000072330392 556905556 /nfs/dbraw/zinc/90/55/56/556905556.db2.gz OOTFJOFRMSALTD-OFVILXPXSA-N 0 3 437.584 4.359 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)cc1 ZINC000072330544 556906280 /nfs/dbraw/zinc/90/62/80/556906280.db2.gz BLUMNIDFEGVAGV-LVXARBLLSA-N 0 3 445.563 4.482 40 0 IIABHN COc1ccccc1CC(=O)N1CCCC[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]21 ZINC000072330616 556906944 /nfs/dbraw/zinc/90/69/44/556906944.db2.gz GXNAZJMODMAQHW-UKILVPOCSA-N 0 3 429.564 4.299 40 0 IIABHN Cc1nc([C@@H]2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)ncc1C(=O)N1CCCCC1 ZINC000019763299 556907939 /nfs/dbraw/zinc/90/79/39/556907939.db2.gz OPGWXWRCTPJABL-LJQANCHMSA-N 0 3 449.574 4.422 40 0 IIABHN CC(=O)Oc1ccc(CN2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340879 556912886 /nfs/dbraw/zinc/91/28/86/556912886.db2.gz PYAOHIZCGSZWLI-KRWDZBQOSA-N 0 3 432.446 4.361 40 0 IIABHN CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccn2)CC1 ZINC000072345246 556916811 /nfs/dbraw/zinc/91/68/11/556916811.db2.gz WBAFYIFGEGBCCY-UHFFFAOYSA-N 0 3 428.580 4.493 40 0 IIABHN O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccccc1F ZINC000072370526 556935270 /nfs/dbraw/zinc/93/52/70/556935270.db2.gz JWNHNGIAVMAUMD-SFHVURJKSA-N 0 3 426.557 4.360 40 0 IIABHN Cc1c(CN2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)n[nH]3)C2)cnn1C ZINC000072371462 556939253 /nfs/dbraw/zinc/93/92/53/556939253.db2.gz XKFMRJSGQSCWPO-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1c(CN2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)cnn1C ZINC000072371462 556939255 /nfs/dbraw/zinc/93/92/55/556939255.db2.gz XKFMRJSGQSCWPO-MRXNPFEDSA-N 0 3 433.478 4.081 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398585 556970279 /nfs/dbraw/zinc/97/02/79/556970279.db2.gz NHCVPLXYQUOXQQ-MBSDFSHPSA-N 0 3 425.573 4.214 40 0 IIABHN COc1ccc(F)c(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)c1 ZINC000585109807 557042106 /nfs/dbraw/zinc/04/21/06/557042106.db2.gz WGXSGPGLUUHHDI-JCYRPKCISA-N 0 3 438.543 4.038 40 0 IIABHN O=C(Cc1ccccc1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN21 ZINC000585110171 557042943 /nfs/dbraw/zinc/04/29/43/557042943.db2.gz RLXXATQGKSVEQK-LOSJGSFVSA-N 0 3 439.559 4.039 40 0 IIABHN CCOc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000023471903 557093581 /nfs/dbraw/zinc/09/35/81/557093581.db2.gz UGHFCERCYVPYBG-UHFFFAOYSA-N 0 3 439.383 4.393 40 0 IIABHN Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC(C)C)C3)s1 ZINC000096037156 557164093 /nfs/dbraw/zinc/16/40/93/557164093.db2.gz KDJFZOKREIKRJY-UHFFFAOYSA-N 0 3 448.654 4.378 40 0 IIABHN CC(C)CN1CC2(CCN(CCc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263511 557190976 /nfs/dbraw/zinc/19/09/76/557190976.db2.gz PFWAJXLGEOBKJA-UHFFFAOYSA-N 0 3 442.625 4.051 40 0 IIABHN COc1ccc(NC(C)=O)c(NC(=O)CN2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2ccccc2)c1 ZINC000585262116 557200810 /nfs/dbraw/zinc/20/08/10/557200810.db2.gz QZEQJAICMUXZIC-MQSCRBSSSA-N 0 3 435.568 4.183 40 0 IIABHN OC1(COc2ccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)cc2)CCCCC1 ZINC000585272784 557217123 /nfs/dbraw/zinc/21/71/23/557217123.db2.gz MWCBSXHRNSWCIR-UHFFFAOYSA-N 0 3 443.559 4.306 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102733726 557306874 /nfs/dbraw/zinc/30/68/74/557306874.db2.gz ZXHZFLCORQNOFT-BJLQDIEVSA-N 0 3 440.286 4.440 40 0 IIABHN CN1CCN(c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)CC1 ZINC000113935264 557378994 /nfs/dbraw/zinc/37/89/94/557378994.db2.gz CKOVPBRTVPNYBI-UHFFFAOYSA-N 0 3 440.591 4.249 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000004166146 557531828 /nfs/dbraw/zinc/53/18/28/557531828.db2.gz VOOMCSJTSLNGRL-AQNXPRMDSA-N 0 3 440.908 4.461 40 0 IIABHN CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1C ZINC000225773200 557775616 /nfs/dbraw/zinc/77/56/16/557775616.db2.gz JUQQCUFOKIVRGV-UHFFFAOYSA-N 0 3 441.597 4.131 40 0 IIABHN Cc1cc(C)n(CCOc2cccc(CN3CCC(O)(COc4ccc(C)cc4)CC3)c2)n1 ZINC000585271650 568616724 /nfs/dbraw/zinc/61/67/24/568616724.db2.gz MIZXCHBXKKICGW-UHFFFAOYSA-N 0 3 449.595 4.293 40 0 IIABHN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257211766 568670832 /nfs/dbraw/zinc/67/08/32/568670832.db2.gz CAHOKOLLKPXORD-GOSISDBHSA-N 0 3 426.542 4.225 40 0 IIABHN CNc1ncc(CN2CCC3(CC2)CO[C@@H]2c4cccc(OC)c4OC(C)(C)[C@H]2C3)cn1 ZINC000257288772 568706288 /nfs/dbraw/zinc/70/62/88/568706288.db2.gz PVOYABJBNGUNEN-PZJWPPBQSA-N 0 3 438.572 4.058 40 0 IIABHN Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257291600 568707605 /nfs/dbraw/zinc/70/76/05/568707605.db2.gz QHUBKBWYZHHISU-INIZCTEOSA-N 0 3 430.505 4.056 40 0 IIABHN O=C(NCCN1CCCC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257298295 568710719 /nfs/dbraw/zinc/71/07/19/568710719.db2.gz RLBSKJUPJWKXOF-UHFFFAOYSA-N 0 3 428.523 4.183 40 0 IIABHN CC(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)CC1 ZINC000257310260 568715687 /nfs/dbraw/zinc/71/56/87/568715687.db2.gz UEKGJVCNSYBRIQ-JOCHJYFZSA-N 0 3 434.584 4.407 40 0 IIABHN COc1cccc(CN2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257332388 568725388 /nfs/dbraw/zinc/72/53/88/568725388.db2.gz XXCMBOUZFRYGJE-FQEVSTJZSA-N 0 3 448.542 4.412 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C1)CO2 ZINC000019704672 569233589 /nfs/dbraw/zinc/23/35/89/569233589.db2.gz NGBVPGSXJRRJDN-SFHVURJKSA-N 0 3 435.499 4.402 40 0 IIABHN CN(C)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)nc([C@H]2CCCN2)n1 ZINC000019760196 569237526 /nfs/dbraw/zinc/23/75/26/569237526.db2.gz JIZKQVTWFMDLPT-JOCHJYFZSA-N 0 3 431.540 4.032 40 0 IIABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856928 569249217 /nfs/dbraw/zinc/24/92/17/569249217.db2.gz NITZGWKLTPEWQY-SIKLNZKXSA-N 0 3 449.016 4.223 40 0 IIABHN CNC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1cccc(CN(C)C)c1)c1ccccc1 ZINC000095946265 569376075 /nfs/dbraw/zinc/37/60/75/569376075.db2.gz BQNHHYZMVCQLJG-WCWDXBQESA-N 0 3 426.520 4.040 40 0 IIABHN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000329039153 569584066 /nfs/dbraw/zinc/58/40/66/569584066.db2.gz RWKASLJJPBTDCN-UHFFFAOYSA-N 0 3 431.462 5.068 40 0 IIABHN Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NCC1CC1)C2 ZINC000049171793 291384961 /nfs/dbraw/zinc/38/49/61/291384961.db2.gz CDKWACQYJZHFIJ-GOTSBHOMSA-N 0 3 434.584 4.422 40 0 biogenic,in-vitro IIABHN Cn1nnnc1SCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022109127 527659987 /nfs/dbraw/zinc/65/99/87/527659987.db2.gz MMSUZZRYUDTKAO-UHFFFAOYSA-N 0 3 438.384 4.368 40 0 IIABHN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](CC(C)C)N[C@]12C(=O)Nc1ccccc12 ZINC000008995671 556239581 /nfs/dbraw/zinc/23/95/81/556239581.db2.gz SLKDYJURTYHIJA-YAEBDLLGSA-N 0 3 427.932 4.159 40 0 IIABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000011582343 556342299 /nfs/dbraw/zinc/34/22/99/556342299.db2.gz KHWAVBYANPTJJF-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039772872 556437741 /nfs/dbraw/zinc/43/77/41/556437741.db2.gz MSGKIFAQFQUUSX-UHFFFAOYSA-N 0 3 431.502 4.266 40 0 IIABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945128 556516870 /nfs/dbraw/zinc/51/68/70/556516870.db2.gz ZIXFMLLIKRHRRF-LJQANCHMSA-N 0 3 449.492 4.405 40 0 IIABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964026 556631060 /nfs/dbraw/zinc/63/10/60/556631060.db2.gz PXTZRTUGZFPXBR-JOCHJYFZSA-N 0 3 428.467 4.335 40 0 IIABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000039964022 556631127 /nfs/dbraw/zinc/63/11/27/556631127.db2.gz PXOFTRASHMNJAN-JOCHJYFZSA-N 0 3 428.467 4.335 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 ZINC000257313931 556703444 /nfs/dbraw/zinc/70/34/44/556703444.db2.gz UURXYEGYYYNFPS-QFIPXVFZSA-N 0 3 429.564 4.162 40 0 IIABHN COCCOc1cc(CN2CCC[C@](COc3ccccc3F)(OC)CC2)ccc1OC ZINC000257332907 556705856 /nfs/dbraw/zinc/70/58/56/556705856.db2.gz XZHJMIIUIBMKGD-VWLOTQADSA-N 0 3 447.547 4.310 40 0 IIABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019291414 556731489 /nfs/dbraw/zinc/73/14/89/556731489.db2.gz LBJBAWXLAHWPPI-KMXBQNHCSA-N 0 3 435.543 4.258 40 0 IIABHN Cc1cc2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000000880667 556732546 /nfs/dbraw/zinc/73/25/46/556732546.db2.gz KKEIHOBYOHXYJC-UHFFFAOYSA-N 0 3 426.561 4.045 40 0 IIABHN O=C(N[C@H](C[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1)C1CCC1 ZINC000019400906 556753580 /nfs/dbraw/zinc/75/35/80/556753580.db2.gz VQJVJDVXNVGRDF-FYYLOGMGSA-N 0 3 435.568 4.255 40 0 IIABHN CC(C)[N@@H+]1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448401 556758043 /nfs/dbraw/zinc/75/80/43/556758043.db2.gz JEIGZGCNZOKSOD-IBGZPJMESA-N 0 3 440.613 4.256 40 0 IIABHN CC(C)[N@H+]1CCc2c(=O)[n-]c([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCCC4)nc2C1 ZINC000019448401 556758044 /nfs/dbraw/zinc/75/80/44/556758044.db2.gz JEIGZGCNZOKSOD-IBGZPJMESA-N 0 3 440.613 4.256 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@H]3C2=O)c1 ZINC000002238866 556760162 /nfs/dbraw/zinc/76/01/62/556760162.db2.gz VFKCYELEJVTKDB-SMIHKQSGSA-N 0 3 428.488 4.363 40 0 IIABHN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CN4CCCCCC4)C3)cc2n1 ZINC000019452400 556763333 /nfs/dbraw/zinc/76/33/33/556763333.db2.gz CCZGZYDRWOSODX-MRXNPFEDSA-N 0 3 437.510 4.063 40 0 IIABHN CCc1ncc(CN2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019523365 556780774 /nfs/dbraw/zinc/78/07/74/556780774.db2.gz XRXXCJCQKVNGMQ-MHZLTWQESA-N 0 3 443.595 4.014 40 0 IIABHN CCN1CCN(Cc2cccc(OC)c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527710 556786960 /nfs/dbraw/zinc/78/69/60/556786960.db2.gz MXHNWBUDCZTQRA-XMMPIXPASA-N 0 3 429.564 4.280 40 0 IIABHN CCN1CCN(Cc2ccc(OC)cc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527755 556787512 /nfs/dbraw/zinc/78/75/12/556787512.db2.gz TVJBZFJLDLOLDQ-DEOSSOPVSA-N 0 3 429.564 4.280 40 0 IIABHN CCOCc1cc(CN2CCC3(CC2)OCCc2cnc(C(C)C)nc23)ccc1OC ZINC000019531135 556791807 /nfs/dbraw/zinc/79/18/07/556791807.db2.gz JYYLIOSKMSYLSF-UHFFFAOYSA-N 0 3 425.573 4.209 40 0 IIABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019566157 556806917 /nfs/dbraw/zinc/80/69/17/556806917.db2.gz VUOVYLDPZMZMKW-FQEVSTJZSA-N 0 3 434.540 4.371 40 0 IIABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019566157 556806919 /nfs/dbraw/zinc/80/69/19/556806919.db2.gz VUOVYLDPZMZMKW-FQEVSTJZSA-N 0 3 434.540 4.371 40 0 IIABHN Cc1nn(C)cc1CN1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000019583781 556821435 /nfs/dbraw/zinc/82/14/35/556821435.db2.gz RRWJQSWECJSQRU-DEOSSOPVSA-N 0 3 437.975 4.249 40 0 IIABHN CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccc(Cl)c2)C1 ZINC000019591283 556826508 /nfs/dbraw/zinc/82/65/08/556826508.db2.gz OLQFSRRIDRNDHJ-VWLOTQADSA-N 0 3 434.971 4.368 40 0 IIABHN COCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019592999 556829198 /nfs/dbraw/zinc/82/91/98/556829198.db2.gz QZJOSCJNGKZIPA-MHZLTWQESA-N 0 3 429.564 4.465 40 0 IIABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000006301325 556832444 /nfs/dbraw/zinc/83/24/44/556832444.db2.gz NWEBDBPMRLTBAQ-LJQANCHMSA-N 0 3 436.625 4.144 40 0 IIABHN COc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019817706 556920607 /nfs/dbraw/zinc/92/06/07/556920607.db2.gz YKPFANAKGPPYSL-QFIPXVFZSA-N 0 3 426.476 4.162 40 0 IIABHN Cc1ccc(CN2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)(C)C)c(C)n4n3)C2)cc1 ZINC000072369597 556933533 /nfs/dbraw/zinc/93/35/33/556933533.db2.gz KHEFDUBJQUGLIL-QFIPXVFZSA-N 0 3 447.627 4.491 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371743 556940541 /nfs/dbraw/zinc/94/05/41/556940541.db2.gz ZWIWVRRYTKCOPU-KRWDZBQOSA-N 0 3 425.964 4.135 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371743 556940542 /nfs/dbraw/zinc/94/05/42/556940542.db2.gz ZWIWVRRYTKCOPU-KRWDZBQOSA-N 0 3 425.964 4.135 40 0 IIABHN CN1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000072377284 556956293 /nfs/dbraw/zinc/95/62/93/556956293.db2.gz HHAUEFUANYKJFO-IBGZPJMESA-N 0 3 447.505 4.140 40 0 IIABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(OC)c1 ZINC000072398579 556970038 /nfs/dbraw/zinc/97/00/38/556970038.db2.gz BWUHHFMUGQHLPG-CVDCTZTESA-N 0 3 425.573 4.214 40 0 IIABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)CC1 ZINC000020043807 556972679 /nfs/dbraw/zinc/97/26/79/556972679.db2.gz NMLRPHCKCSGZKE-UHFFFAOYSA-N 0 3 442.563 4.496 40 0 IIABHN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020106692 556983067 /nfs/dbraw/zinc/98/30/67/556983067.db2.gz WGHLDWNKPUFOPD-UHFFFAOYSA-N 0 3 443.613 4.201 40 0 IIABHN Clc1ccc(COc2ccc(Br)cc2CNCCN2CCOCC2)cc1 ZINC000023263554 557080835 /nfs/dbraw/zinc/08/08/35/557080835.db2.gz GEUYUPATKPSRDM-UHFFFAOYSA-N 0 3 439.781 4.103 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@@H]3C2=O)c1 ZINC000101219295 557120760 /nfs/dbraw/zinc/12/07/60/557120760.db2.gz VFKCYELEJVTKDB-HJOGWXRNSA-N 0 3 428.488 4.363 40 0 IIABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102706596 557133028 /nfs/dbraw/zinc/13/30/28/557133028.db2.gz FSPQQKSLNXBBCG-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN COCCNC(=O)C[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053373 557166892 /nfs/dbraw/zinc/16/68/92/557166892.db2.gz OYOHSGQVBPMILC-IBGZPJMESA-N 0 3 428.598 4.110 40 0 IIABHN COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NC[C@H]3CCCN(C)C3)CCCO2)cc1 ZINC000585262575 557202625 /nfs/dbraw/zinc/20/26/25/557202625.db2.gz UNLVBCPRLYGXCA-IBVKSMDESA-N 0 3 440.559 4.051 40 0 IIABHN FC(F)(F)c1nc(-c2cncc(C3CCN(c4ccnc5ccccc54)CC3)n2)no1 ZINC000585267503 557207210 /nfs/dbraw/zinc/20/72/10/557207210.db2.gz OSFQETNVLXCYFT-UHFFFAOYSA-N 0 3 426.402 4.478 40 0 IIABHN Cc1cnn(CCCOc2cccc(CN3CCC[C@@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271709 557215865 /nfs/dbraw/zinc/21/58/65/557215865.db2.gz NCXRZQOJDBRZOY-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000219426112 557244919 /nfs/dbraw/zinc/24/49/19/557244919.db2.gz RHNNIGPQSUCMCE-UHFFFAOYSA-N 0 3 428.895 4.058 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C2=O)c1 ZINC000101130089 557351010 /nfs/dbraw/zinc/35/10/10/557351010.db2.gz GWDKFFDTNYDZTC-ZRBLBEILSA-N 0 3 446.528 4.468 40 0 IIABHN CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222597148 557359006 /nfs/dbraw/zinc/35/90/06/557359006.db2.gz UCDRXDSDDSGTKF-INIZCTEOSA-N 0 3 430.961 4.322 40 0 IIABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259732 557452117 /nfs/dbraw/zinc/45/21/17/557452117.db2.gz UDTVWTLFUASAKS-RTWAWAEBSA-N 0 3 425.989 4.060 40 0 IIABHN Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)ccc1Cl ZINC000223281445 557455314 /nfs/dbraw/zinc/45/53/14/557455314.db2.gz JHNXCOQVPLCIAO-FGZHOGPDSA-N 0 3 440.016 4.368 40 0 IIABHN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223412644 557468583 /nfs/dbraw/zinc/46/85/83/557468583.db2.gz RCAVJEWGDDDJBM-RPWUZVMVSA-N 0 3 441.560 4.449 40 0 IIABHN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223412686 557468601 /nfs/dbraw/zinc/46/86/01/557468601.db2.gz RCAVJEWGDDDJBM-BJKOFHAPSA-N 0 3 441.560 4.449 40 0 IIABHN CN1CCC(Oc2ccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1 ZINC000223559663 557485989 /nfs/dbraw/zinc/48/59/89/557485989.db2.gz QHFHISGUNMIOIP-MOHJPFBDSA-N 0 3 445.519 4.162 40 0 IIABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccc2c(c1)OCO2 ZINC000224004144 557542662 /nfs/dbraw/zinc/54/26/62/557542662.db2.gz FXQRKMYAAHNTRC-DHIUTWEWSA-N 0 3 441.516 4.173 40 0 IIABHN CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(Cl)cc3)n2CCN1C(=O)CN ZINC000096933115 563198991 /nfs/dbraw/zinc/19/89/91/563198991.db2.gz KFSKTWYDIHJITF-UHFFFAOYSA-N 0 3 427.911 4.122 40 0 IIABHN COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000257216234 568672521 /nfs/dbraw/zinc/67/25/21/568672521.db2.gz CTQSFLYKSWSYGK-FQEVSTJZSA-N 0 3 431.540 4.072 40 0 IIABHN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(OCCN3CCCC3)c2)n1 ZINC000257218361 568673366 /nfs/dbraw/zinc/67/33/66/568673366.db2.gz DCVVMDSJBKQORP-DEOSSOPVSA-N 0 3 445.567 4.028 40 0 IIABHN Cc1ccccc1CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257231089 568679401 /nfs/dbraw/zinc/67/94/01/568679401.db2.gz GFEMXJOYWPRICP-LWSSLDFYSA-N 0 3 440.584 4.291 40 0 IIABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000306139435 568771207 /nfs/dbraw/zinc/77/12/07/568771207.db2.gz SXBGSYCNNPUWHF-UHFFFAOYSA-N 0 3 425.939 4.174 40 0 IIABHN Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000247877536 569206307 /nfs/dbraw/zinc/20/63/07/569206307.db2.gz BAPYSICWELXKOR-YADHBBJMSA-N 0 3 441.535 4.474 40 0 IIABHN Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000247877536 569206309 /nfs/dbraw/zinc/20/63/09/569206309.db2.gz BAPYSICWELXKOR-YADHBBJMSA-N 0 3 441.535 4.474 40 0 IIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(I)cc3)CC2)cc1 ZINC000009063103 569219760 /nfs/dbraw/zinc/21/97/60/569219760.db2.gz WSXVGBCLOGZBNB-UHFFFAOYSA-N 0 3 434.321 4.450 40 0 IIABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000019236208 569226452 /nfs/dbraw/zinc/22/64/52/569226452.db2.gz TZFTVNCSJOVSCL-NBGIEHNGSA-N 0 3 430.552 4.177 40 0 IIABHN CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(CCOc2ccc(F)cc2)C1 ZINC000019739156 569236399 /nfs/dbraw/zinc/23/63/99/569236399.db2.gz QRFHVDGAIKGFNO-RUZDIDTESA-N 0 3 443.563 4.263 40 0 IIABHN CN(C)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)nc([C@@H]2CCCN2)n1 ZINC000019760193 569237564 /nfs/dbraw/zinc/23/75/64/569237564.db2.gz JIZKQVTWFMDLPT-QFIPXVFZSA-N 0 3 431.540 4.032 40 0 IIABHN Cc1nc([C@@H]2CCCN(CCc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765491 569238751 /nfs/dbraw/zinc/23/87/51/569238751.db2.gz UOCBJHFKMJAUEE-JOCHJYFZSA-N 0 3 432.543 4.276 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855652 569249310 /nfs/dbraw/zinc/24/93/10/569249310.db2.gz WHBQLHPYLZUFDU-PGRDOPGGSA-N 0 3 426.532 4.465 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000009209996 569294421 /nfs/dbraw/zinc/29/44/21/569294421.db2.gz AWTVSNZKEXJBJA-HJOGWXRNSA-N 0 3 428.488 4.445 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000009307190 569295213 /nfs/dbraw/zinc/29/52/13/569295213.db2.gz GLVBQKOMRGPEFT-ZRBLBEILSA-N 0 3 432.451 4.276 40 0 IIABHN Cc1nc(C2CCN(CCc3ccccc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766575 569329283 /nfs/dbraw/zinc/32/92/83/569329283.db2.gz PWQWJPCFTBIJGH-UHFFFAOYSA-N 0 3 432.543 4.276 40 0 IIABHN CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccccc4)o3)C[C@H]2C(C)C)CC1 ZINC000030882759 291378191 /nfs/dbraw/zinc/37/81/91/291378191.db2.gz XYVGMHZNOPZLCA-HJOGWXRNSA-N 0 3 436.600 4.298 40 0 biogenic,in-vitro IIABHN Cc1ccc(N2CCN(CCCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000010150670 132335000 /nfs/dbraw/zinc/33/50/00/132335000.db2.gz HKFUYKFAEZVPKU-UHFFFAOYSA-N 0 3 427.548 4.347 40 0 IIABHN CCN1CCN(c2ccc(NC(=O)c3sc4nc5ccccc5cc4c3N)cc2)CC1 ZINC000013564160 132350070 /nfs/dbraw/zinc/35/00/70/132350070.db2.gz GOJWYUDQMQMQCG-UHFFFAOYSA-N 0 3 431.565 4.426 40 0 IIABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856926 556672652 /nfs/dbraw/zinc/67/26/52/556672652.db2.gz NITZGWKLTPEWQY-DENIHFKCSA-N 0 3 449.016 4.223 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000018058747 556682461 /nfs/dbraw/zinc/68/24/61/556682461.db2.gz ZAYSVDYPHSILKN-UFYCRDLUSA-N 0 3 440.908 4.461 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)C[C@@H]2O ZINC000019084450 556698472 /nfs/dbraw/zinc/69/84/72/556698472.db2.gz IKJLLNCWLKORQM-XZOQPEGZSA-N 0 3 425.569 4.377 40 0 IIABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1OC ZINC000019125648 556703215 /nfs/dbraw/zinc/70/32/15/556703215.db2.gz DXFDXYQEJGKMFW-PMACEKPBSA-N 0 3 447.959 4.050 40 0 IIABHN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCN3CCC(C)CC3)CCCO2)c1 ZINC000257327714 556705215 /nfs/dbraw/zinc/70/52/15/556705215.db2.gz XCJLQWZYNMVYKB-HHHXNRCGSA-N 0 3 436.596 4.302 40 0 IIABHN COc1cc(C)ccc1CN1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133975 556705416 /nfs/dbraw/zinc/70/54/16/556705416.db2.gz IVEKBJLYLDIVRD-HXUWFJFHSA-N 0 3 432.572 4.164 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@H](Cc2cncc3ccccc32)C1 ZINC000257238741 556710013 /nfs/dbraw/zinc/71/00/13/556710013.db2.gz HMIYCSKIQXDLER-OAQYLSRUSA-N 0 3 429.564 4.162 40 0 IIABHN COc1ccccc1-c1ccccc1CN1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257260487 556712402 /nfs/dbraw/zinc/71/24/02/556712402.db2.gz LDBQLRGGLIAKRI-HXUWFJFHSA-N 0 3 428.536 4.096 40 0 IIABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[n-]c2=O)C1 ZINC000019448357 556757680 /nfs/dbraw/zinc/75/76/80/556757680.db2.gz ZOAMMLWETAHBNF-IBGZPJMESA-N 0 3 440.613 4.256 40 0 IIABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc4c(s3)CCCC4)[n-]c2=O)C1 ZINC000019448357 556757681 /nfs/dbraw/zinc/75/76/81/556757681.db2.gz ZOAMMLWETAHBNF-IBGZPJMESA-N 0 3 440.613 4.256 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000101192617 556758261 /nfs/dbraw/zinc/75/82/61/556758261.db2.gz GLVBQKOMRGPEFT-VABKMULXSA-N 0 3 432.451 4.276 40 0 IIABHN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CN4CCCCCC4)C3)cc2n1 ZINC000019452402 556763354 /nfs/dbraw/zinc/76/33/54/556763354.db2.gz CCZGZYDRWOSODX-INIZCTEOSA-N 0 3 437.510 4.063 40 0 IIABHN CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019503571 556775377 /nfs/dbraw/zinc/77/53/77/556775377.db2.gz BHVHZJNGZZQHJM-MHZLTWQESA-N 0 3 428.580 4.495 40 0 IIABHN CCn1c(C)c(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523870 556780985 /nfs/dbraw/zinc/78/09/85/556780985.db2.gz CJBYDJAMIGINOS-WNCULLNHSA-N 0 3 446.595 4.402 40 0 IIABHN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(Cc2cnn(C)c2C)C1 ZINC000019528760 556789066 /nfs/dbraw/zinc/78/90/66/556789066.db2.gz ZYVZWKWNLXRASP-RUZDIDTESA-N 0 3 436.625 4.418 40 0 IIABHN Cc1c(CN2CCC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)cnn1C ZINC000019553618 556797378 /nfs/dbraw/zinc/79/73/78/556797378.db2.gz ZUFACYUYBUFDQQ-HHHXNRCGSA-N 0 3 445.611 4.140 40 0 IIABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1OC ZINC000019559917 556801556 /nfs/dbraw/zinc/80/15/56/556801556.db2.gz BYEUQUDBJGXVEW-GOTSBHOMSA-N 0 3 449.547 4.241 40 0 IIABHN Cc1nn(C)c(C)c1CCC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 ZINC000019577695 556815554 /nfs/dbraw/zinc/81/55/54/556815554.db2.gz MKGBZLVSFGWQRE-UHFFFAOYSA-N 0 3 440.607 4.201 40 0 IIABHN CC(C)n1cc(CN2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2ccccc21 ZINC000019708171 556868281 /nfs/dbraw/zinc/86/82/81/556868281.db2.gz NNQRFEUJFKSYIK-RUZDIDTESA-N 0 3 432.568 4.427 40 0 IIABHN CCn1cc(CN2CCC(c3nc(C)c4c(n3)N(C)C(=O)CC4)CC2)c2cc(OC)ccc21 ZINC000019739269 556877256 /nfs/dbraw/zinc/87/72/56/556877256.db2.gz GWBPIQGRDFRJQG-UHFFFAOYSA-N 0 3 447.583 4.057 40 0 IIABHN CC(=O)Nc1ccc(CN2CCC(c3nc(C)c4c(n3)N(CC(C)C)C(=O)CC4)CC2)cc1 ZINC000019739493 556878134 /nfs/dbraw/zinc/87/81/34/556878134.db2.gz WXQLLNKYZGTKOC-UHFFFAOYSA-N 0 3 449.599 4.058 40 0 IIABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2ccc4ncccc4c2)CC3)Nc2ccc(Cl)cc21 ZINC000072325582 556902963 /nfs/dbraw/zinc/90/29/63/556902963.db2.gz UDPAHTSBUZQVBE-VWLOTQADSA-N 0 3 448.954 4.195 40 0 IIABHN Cc1ncc(CN2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cn1 ZINC000072327242 556903658 /nfs/dbraw/zinc/90/36/58/556903658.db2.gz YKBFYENQMLKHFW-XMMPIXPASA-N 0 3 435.959 4.305 40 0 IIABHN O=C(c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccncc1)N1CCOCC1 ZINC000072380040 556957362 /nfs/dbraw/zinc/95/73/62/556957362.db2.gz KGYVMSNTJPCHEA-HXUWFJFHSA-N 0 3 435.593 4.366 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CO2 ZINC000072398602 556970223 /nfs/dbraw/zinc/97/02/23/556970223.db2.gz HREILENEUGTJQZ-NLFFAJNJSA-N 0 3 449.595 4.482 40 0 IIABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1ccc(F)c(Cl)c1F)CC2 ZINC000585103782 557036422 /nfs/dbraw/zinc/03/64/22/557036422.db2.gz PTVPPYGBCJAFFH-QGZVFWFLSA-N 0 3 449.929 4.157 40 0 IIABHN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000219426406 557244842 /nfs/dbraw/zinc/24/48/42/557244842.db2.gz YFAIOMZVEPEBBY-UHFFFAOYSA-N 0 3 442.922 4.400 40 0 IIABHN CCN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2)CC1 ZINC000017100757 557489343 /nfs/dbraw/zinc/48/93/43/557489343.db2.gz PAVDZTVPEMKCSB-VGOFMYFVSA-N 0 3 436.625 4.478 40 0 IIABHN COc1ccc(S(=O)(=O)[N-]Cc2cccc(C[NH+]3CCCCC3)c2)c(Cl)c1Cl ZINC000224659865 557637188 /nfs/dbraw/zinc/63/71/88/557637188.db2.gz MBFDINQNJHBTTI-UHFFFAOYSA-N 0 3 443.396 4.466 40 0 IIABHN Cc1cc(OCC(=O)NCc2ccccc2CN2CCCCC2)ccc1Br ZINC000224830684 557656486 /nfs/dbraw/zinc/65/64/86/557656486.db2.gz JFODVDLGEVDANS-UHFFFAOYSA-N 0 3 431.374 4.439 40 0 IIABHN Cc1cnn(CCOc2ccc(CN3CCC[C@@](O)(COc4ccc(C)cc4)CC3)cc2)c1 ZINC000585274637 568618721 /nfs/dbraw/zinc/61/87/21/568618721.db2.gz XVZFANVFFFPHCV-MHZLTWQESA-N 0 3 449.595 4.375 40 0 IIABHN O=C(c1ccccc1CN1CCCCC1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257208345 568668923 /nfs/dbraw/zinc/66/89/23/568668923.db2.gz BLTVGHFUMGXGIC-LBNVMWSVSA-N 0 3 445.607 4.341 40 0 IIABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C2)n1 ZINC000257232887 568680522 /nfs/dbraw/zinc/68/05/22/568680522.db2.gz GMVYGMPNFPRNKT-IBGZPJMESA-N 0 3 444.510 4.245 40 0 IIABHN NC(=O)CN1CCCC[C@@H]2[C@H]1CCCN2Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000257234485 568680988 /nfs/dbraw/zinc/68/09/88/568680988.db2.gz GTRRUCIVBQLKPD-DHIUTWEWSA-N 0 3 442.003 4.223 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000257253419 568690076 /nfs/dbraw/zinc/69/00/76/568690076.db2.gz JYXKMBAGAOLUNE-IBGZPJMESA-N 0 3 446.576 4.210 40 0 IIABHN COCC(=O)N1CCC2(CN(Cc3ccc(Cl)c(F)c3)C[C@H]2c2ccccc2)CC1 ZINC000257286561 568705048 /nfs/dbraw/zinc/70/50/48/568705048.db2.gz PMAGMKVUCKSPAF-FQEVSTJZSA-N 0 3 430.951 4.334 40 0 IIABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000306139576 568771335 /nfs/dbraw/zinc/77/13/35/568771335.db2.gz TUVIYXYEYGBMCT-UHFFFAOYSA-N 0 3 425.939 4.174 40 0 IIABHN O=C(c1cccs1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306145148 568774230 /nfs/dbraw/zinc/77/42/30/568774230.db2.gz ZZLSFVLQMLASRZ-UHFFFAOYSA-N 0 3 448.592 4.231 40 0 IIABHN Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000247877533 569206318 /nfs/dbraw/zinc/20/63/18/569206318.db2.gz BAPYSICWELXKOR-FGZHOGPDSA-N 0 3 441.535 4.474 40 0 IIABHN Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(=O)[n-]c(NCc3cccnc3)n2)o1 ZINC000247877533 569206320 /nfs/dbraw/zinc/20/63/20/569206320.db2.gz BAPYSICWELXKOR-FGZHOGPDSA-N 0 3 441.535 4.474 40 0 IIABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)CC2)cc1 ZINC000009063174 569219755 /nfs/dbraw/zinc/21/97/55/569219755.db2.gz IOPLAVIKYWIIHZ-UHFFFAOYSA-N 0 3 442.563 4.171 40 0 IIABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000019565042 569226960 /nfs/dbraw/zinc/22/69/60/569226960.db2.gz FAPFMKBZDUMDCB-HFZDXXHNSA-N 0 3 445.563 4.482 40 0 IIABHN COc1ccc(OCc2sc([C@]3(O)CCCN(CC4=CCCOC4)CC3)nc2C)cc1 ZINC000019705373 569234155 /nfs/dbraw/zinc/23/41/55/569234155.db2.gz JWYSFIMQURNGGB-DEOSSOPVSA-N 0 3 444.597 4.059 40 0 IIABHN Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCCN4)n3)CCCC2)c1 ZINC000019760359 569237450 /nfs/dbraw/zinc/23/74/50/569237450.db2.gz DEWPVNYMAPEURN-JOCHJYFZSA-N 0 3 435.616 4.054 40 0 IIABHN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccncc4)c3C)C2=O)o1 ZINC000033623429 569245055 /nfs/dbraw/zinc/24/50/55/569245055.db2.gz YERKFPDEGKXONR-YBFXNURJSA-N 0 3 437.477 4.105 40 0 IIABHN CCN(CC)C(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2NC(=N)C1 ZINC000209774474 569255843 /nfs/dbraw/zinc/25/58/43/569255843.db2.gz NXCVMJQQLJXREN-UHFFFAOYSA-N 0 3 430.552 4.234 40 0 IIABHN CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)cc1 ZINC000020503520 519707931 /nfs/dbraw/zinc/70/79/31/519707931.db2.gz MBROWBMTZMHKPK-PZJWPPBQSA-N 0 3 431.511 4.232 40 0 biogenic,in-vitro IIABHN CCOc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC ZINC000022109048 520714917 /nfs/dbraw/zinc/71/49/17/520714917.db2.gz DGCLPAJCNKWSLA-UHFFFAOYSA-N 0 3 447.992 4.385 40 0 IIABHN COc1ccc(C)cc1CN1CCC([C@H](NC(=O)c2ccccn2)c2ccccn2)CC1 ZINC000019133325 523810824 /nfs/dbraw/zinc/81/08/24/523810824.db2.gz YJCSPSYDKCRYFQ-VWLOTQADSA-N 0 3 430.552 4.177 40 0 IIABHN COc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1Br ZINC000408603225 555972176 /nfs/dbraw/zinc/97/21/76/555972176.db2.gz BPDRMDGNFQPQGK-UHFFFAOYSA-N 0 3 429.358 4.121 40 0 IIABHN COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1OC ZINC000015890195 556561629 /nfs/dbraw/zinc/56/16/29/556561629.db2.gz CLZGAJRSBRUMBT-HXUWFJFHSA-N 0 3 430.976 4.270 40 0 IIABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100799130 556591153 /nfs/dbraw/zinc/59/11/53/556591153.db2.gz OJWSVBCPLATMAB-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100799283 556591488 /nfs/dbraw/zinc/59/14/88/556591488.db2.gz VOOMCSJTSLNGRL-ZCNNSNEGSA-N 0 3 440.908 4.461 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000100918527 556604242 /nfs/dbraw/zinc/60/42/42/556604242.db2.gz FOSNTVDHSDNFAX-BDTNDASRSA-N 0 3 434.879 4.400 40 0 IIABHN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038857188 556626139 /nfs/dbraw/zinc/62/61/39/556626139.db2.gz JYNPBSKIFDBRPP-FQEVSTJZSA-N 0 3 429.967 4.348 40 0 IIABHN COc1ccc(N2OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013617678 556704087 /nfs/dbraw/zinc/70/40/87/556704087.db2.gz BFWHVTSVWUKBED-BHIFYINESA-N 0 3 434.879 4.400 40 0 IIABHN COc1cc(C)ccc1CN1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019133983 556705433 /nfs/dbraw/zinc/70/54/33/556705433.db2.gz HQVHPDKQPZIJTF-OAQYLSRUSA-N 0 3 446.599 4.174 40 0 IIABHN COc1ccccc1-c1cccc(CN2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257342573 556707514 /nfs/dbraw/zinc/70/75/14/556707514.db2.gz ZPHCTKUFTCEMPC-OAQYLSRUSA-N 0 3 428.536 4.096 40 0 IIABHN O=C(c1ccccc1CN1CCCC1)N1CCOC[C@@H](Cc2cncc3ccccc32)C1 ZINC000257238740 556710100 /nfs/dbraw/zinc/71/01/00/556710100.db2.gz HMIYCSKIQXDLER-NRFANRHFSA-N 0 3 429.564 4.162 40 0 IIABHN CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccc3)c2)C1 ZINC000257242600 556710687 /nfs/dbraw/zinc/71/06/87/556710687.db2.gz IDGVSHNPVOTVHE-HHHXNRCGSA-N 0 3 429.564 4.283 40 0 IIABHN COc1cccc(-c2cccc(CC3(C(=O)NC[C@@H]4CCCN(C)C4)CCOCC3)c2)c1 ZINC000257311754 556718427 /nfs/dbraw/zinc/71/84/27/556718427.db2.gz UKVTYUBLAZYSCK-QFIPXVFZSA-N 0 3 436.596 4.160 40 0 IIABHN Cn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019290365 556730545 /nfs/dbraw/zinc/73/05/45/556730545.db2.gz OETSIMZPOQHOSF-YADHBBJMSA-N 0 3 426.944 4.216 40 0 IIABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1c[nH]c2ccc(F)cc21 ZINC000019346069 556742680 /nfs/dbraw/zinc/74/26/80/556742680.db2.gz JZQHDJOZFKUMQA-RTWAWAEBSA-N 0 3 430.907 4.345 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccnc2)N1 ZINC000019349461 556744363 /nfs/dbraw/zinc/74/43/63/556744363.db2.gz VQOHAERGRLGHBA-RPLLCQBOSA-N 0 3 442.563 4.084 40 0 IIABHN COc1ccc(CN2CCC[C@@H](c3onc4c3C[C@H](C)CC4)C2)cc1CN1CCOCC1 ZINC000019497161 556769454 /nfs/dbraw/zinc/76/94/54/556769454.db2.gz DZIGMEBTHRYYKN-TZIWHRDSSA-N 0 3 439.600 4.020 40 0 IIABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000001327626 556773214 /nfs/dbraw/zinc/77/32/14/556773214.db2.gz ACERMFQYMCCTEH-UHFFFAOYSA-N 0 3 442.947 4.176 40 0 IIABHN COc1cc(CNC2(c3ccccc3F)CCCC2)ccc1OCCN1CCOCC1 ZINC000019550212 556795004 /nfs/dbraw/zinc/79/50/04/556795004.db2.gz XZVLLDGQXOXKPA-UHFFFAOYSA-N 0 3 428.548 4.104 40 0 IIABHN Cc1c(CN2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)cnn1C ZINC000019553589 556797357 /nfs/dbraw/zinc/79/73/57/556797357.db2.gz RSVVZICWGFWXNP-XMMPIXPASA-N 0 3 437.975 4.249 40 0 IIABHN Cc1sc2ncn(CC3(O)CCN(Cc4ccc(C(C)C)cc4)CC3)c(=O)c2c1C ZINC000019561535 556802889 /nfs/dbraw/zinc/80/28/89/556802889.db2.gz DMLGABBWODYDMG-UHFFFAOYSA-N 0 3 425.598 4.225 40 0 IIABHN COc1ccc2c(c1)[nH]cc2[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019563103 556804028 /nfs/dbraw/zinc/80/40/28/556804028.db2.gz VYDPHHASBJCMCF-FGZHOGPDSA-N 0 3 442.943 4.214 40 0 IIABHN Cc1c2ccccc2oc1C(=O)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000019566026 556806464 /nfs/dbraw/zinc/80/64/64/556806464.db2.gz AEQZPKLBMHKWFK-QFIPXVFZSA-N 0 3 433.552 4.331 40 0 IIABHN COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(Cc4ccccn4)C[C@@H]32)c1 ZINC000019566368 556807034 /nfs/dbraw/zinc/80/70/34/556807034.db2.gz GUCPPRXGBOKKKX-TWJOJJKGSA-N 0 3 427.548 4.221 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000004231266 556820952 /nfs/dbraw/zinc/82/09/52/556820952.db2.gz CIYLDDJSPCCBBZ-UHFFFAOYSA-N 0 3 426.948 4.340 40 0 IIABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000006300347 556831909 /nfs/dbraw/zinc/83/19/09/556831909.db2.gz YEQJPNHSPDVVHG-LJQANCHMSA-N 0 3 436.625 4.144 40 0 IIABHN COc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019817703 556920537 /nfs/dbraw/zinc/92/05/37/556920537.db2.gz YKPFANAKGPPYSL-JOCHJYFZSA-N 0 3 426.476 4.162 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371745 556940920 /nfs/dbraw/zinc/94/09/20/556940920.db2.gz MWLAKFLDGQUJBF-KRWDZBQOSA-N 0 3 425.964 4.135 40 0 IIABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371745 556940923 /nfs/dbraw/zinc/94/09/23/556940923.db2.gz MWLAKFLDGQUJBF-KRWDZBQOSA-N 0 3 425.964 4.135 40 0 IIABHN CCOc1ccc(CN2CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1CO ZINC000072375049 556950387 /nfs/dbraw/zinc/95/03/87/556950387.db2.gz WNMAPWFQOCEXBU-FQEVSTJZSA-N 0 3 433.556 4.194 40 0 IIABHN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cc5c(cc4C)OCO5)C3)cc2n1 ZINC000072397143 556970046 /nfs/dbraw/zinc/97/00/46/556970046.db2.gz INEXAHQDMGNRCB-HNNXBMFYSA-N 0 3 432.446 4.473 40 0 IIABHN C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104153 557036822 /nfs/dbraw/zinc/03/68/22/557036822.db2.gz JODOVSBUUKNLRL-DFBJGRDBSA-N 0 3 448.592 4.017 40 0 IIABHN O=C(Cc1ccccc1)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 ZINC000585110170 557043177 /nfs/dbraw/zinc/04/31/77/557043177.db2.gz RLXXATQGKSVEQK-JWQCQUIFSA-N 0 3 439.559 4.039 40 0 IIABHN Cc1ccccc1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096145760 557175334 /nfs/dbraw/zinc/17/53/34/557175334.db2.gz BJOOFOXVYAFUCH-VXKWHMMOSA-N 0 3 428.598 4.067 40 0 IIABHN O=C(c1ccccc1CN1CCCCC1)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000585262090 557200695 /nfs/dbraw/zinc/20/06/95/557200695.db2.gz VPXCWSGCQRMLKG-RPLLCQBOSA-N 0 3 449.570 4.090 40 0 IIABHN Cc1cnn(CCCOc2cccc(CN3CCC[C@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271708 557215748 /nfs/dbraw/zinc/21/57/48/557215748.db2.gz NCXRZQOJDBRZOY-AREMUKBSSA-N 0 3 435.568 4.067 40 0 IIABHN O=C1NCN(c2ccccc2)C12CCN(Cc1c3ccccc3[nH]c1C(F)(F)F)CC2 ZINC000057762005 557261887 /nfs/dbraw/zinc/26/18/87/557261887.db2.gz RCRQUBDYGFNTMR-UHFFFAOYSA-N 0 3 428.458 4.115 40 0 IIABHN Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(C(=O)C(C)(C)N)CC2)n1 ZINC000143330062 557271321 /nfs/dbraw/zinc/27/13/21/557271321.db2.gz YHTKMUSFLNEEOG-UHFFFAOYSA-N 0 3 436.585 4.095 40 0 IIABHN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223284227 557455551 /nfs/dbraw/zinc/45/55/51/557455551.db2.gz VDWYZRIQFQOKPM-XZOQPEGZSA-N 0 3 436.581 4.274 40 0 IIABHN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223412592 557468618 /nfs/dbraw/zinc/46/86/18/557468618.db2.gz RCAVJEWGDDDJBM-ZEQRLZLVSA-N 0 3 441.560 4.449 40 0 IIABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCOCC2)cc1 ZINC000225584153 557747129 /nfs/dbraw/zinc/74/71/29/557747129.db2.gz PQTICUCXTHAOKF-UHFFFAOYSA-N 0 3 438.568 4.247 40 0 IIABHN O=C(NCCCN1CCc2ccccc2C1)C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000225588247 557748148 /nfs/dbraw/zinc/74/81/48/557748148.db2.gz QRQPXZBLELDLOX-UHFFFAOYSA-N 0 3 443.994 4.256 40 0 IIABHN CC(=O)N1CCN([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585288046 568619288 /nfs/dbraw/zinc/61/92/88/568619288.db2.gz UXLNYAZRNVSQDB-WATLYSKOSA-N 0 3 434.596 4.013 40 0 IIABHN COc1cccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 ZINC000257204941 568667622 /nfs/dbraw/zinc/66/76/22/568667622.db2.gz AWYWWHUREXNOIY-OAQYLSRUSA-N 0 3 436.600 4.083 40 0 IIABHN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)CC1 ZINC000257218768 568673632 /nfs/dbraw/zinc/67/36/32/568673632.db2.gz DEIUROWEXCJPOI-FQEVSTJZSA-N 0 3 438.547 4.237 40 0 IIABHN CC(C)(C)c1nccc([C@H]2C[C@@H](C(=O)N3CCC(F)(F)CC3)N[C@H]2c2cccc(F)c2)n1 ZINC000257230168 568679154 /nfs/dbraw/zinc/67/91/54/568679154.db2.gz GBDFNSSEQNLYQR-HOJAQTOUSA-N 0 3 446.517 4.358 40 0 IIABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)CN3Cc4ccccc4C3=O)C2)n1 ZINC000257232888 568680452 /nfs/dbraw/zinc/68/04/52/568680452.db2.gz GMVYGMPNFPRNKT-LJQANCHMSA-N 0 3 444.510 4.245 40 0 IIABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccc(OC)c(C)c3C)C2)nc1C ZINC000257236842 568682155 /nfs/dbraw/zinc/68/21/55/568682155.db2.gz HDZZKYINPLIVCK-JOCHJYFZSA-N 0 3 438.616 4.119 40 0 IIABHN Cc1cccc(Nc2cccc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)n2)n1 ZINC000257289370 568706623 /nfs/dbraw/zinc/70/66/23/568706623.db2.gz PYHOMAKAVKNDGJ-UHFFFAOYSA-N 0 3 442.567 4.099 40 0 IIABHN CCn1nc(C)c(CN2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)c1C ZINC000257344393 568730403 /nfs/dbraw/zinc/73/04/03/568730403.db2.gz ZXANZRRTPQCZKS-FQEVSTJZSA-N 0 3 434.588 4.041 40 0 IIABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccncc5)C4)nn3c2)c1OC ZINC000306129393 568765632 /nfs/dbraw/zinc/76/56/32/568765632.db2.gz IBVUJMWXVRLBQE-FQEVSTJZSA-N 0 3 429.524 4.188 40 0 IIABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000019236206 569226446 /nfs/dbraw/zinc/22/64/46/569226446.db2.gz TZFTVNCSJOVSCL-CJFMBICVSA-N 0 3 430.552 4.177 40 0 IIABHN COCc1cc(CN2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)ccc1OC(C)C ZINC000019702515 569232031 /nfs/dbraw/zinc/23/20/31/569232031.db2.gz KKTHONHBDXXXHJ-QGZVFWFLSA-N 0 3 439.581 4.318 40 0 IIABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)cc1 ZINC000019765153 569238808 /nfs/dbraw/zinc/23/88/08/569238808.db2.gz QYIFOOQLKQTABV-OAQYLSRUSA-N 0 3 443.551 4.375 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000009209998 569294466 /nfs/dbraw/zinc/29/44/66/569294466.db2.gz AWTVSNZKEXJBJA-VXNXHJTFSA-N 0 3 428.488 4.445 40 0 IIABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000012017306 569303528 /nfs/dbraw/zinc/30/35/28/569303528.db2.gz IUBITZYLXRRGMJ-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN Cc1ccccc1CN1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000019687707 569326358 /nfs/dbraw/zinc/32/63/58/569326358.db2.gz QCTXDOPSIFMXST-QHCPKHFHSA-N 0 3 429.568 4.344 40 0 IIABHN COc1cc(C)ccc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 ZINC000019756580 569328549 /nfs/dbraw/zinc/32/85/49/569328549.db2.gz BOGXSEMLYNVRBR-UHFFFAOYSA-N 0 3 446.595 4.122 40 0 IIABHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1F ZINC000022075588 520714903 /nfs/dbraw/zinc/71/49/03/520714903.db2.gz XOSQWHTZWPSURJ-UHFFFAOYSA-N 0 3 425.342 4.217 40 0 IIABHN COc1ccccc1NC(=O)CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964034 556631112 /nfs/dbraw/zinc/63/11/12/556631112.db2.gz LEFVWACNHSJDNG-JOCHJYFZSA-N 0 3 440.503 4.204 40 0 IIABHN O=C(CC1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000039964082 556631316 /nfs/dbraw/zinc/63/13/16/556631316.db2.gz SZAOQTUDMKMHCT-HXUWFJFHSA-N 0 3 446.507 4.404 40 0 IIABHN C[C@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964065 556631326 /nfs/dbraw/zinc/63/13/26/556631326.db2.gz UUEVYYMIERPHLK-QKYXUNIQSA-N 0 3 446.507 4.260 40 0 IIABHN C[C@@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000039964062 556631337 /nfs/dbraw/zinc/63/13/37/556631337.db2.gz UUEVYYMIERPHLK-MOXGXCLJSA-N 0 3 446.507 4.260 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(O)c4)[C@H]3C2=O)cc1 ZINC000101078894 556653787 /nfs/dbraw/zinc/65/37/87/556653787.db2.gz QQENCQLIBAWUEO-SMIHKQSGSA-N 0 3 444.487 4.232 40 0 IIABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044855683 556671961 /nfs/dbraw/zinc/67/19/61/556671961.db2.gz RBCSSRMPSWQAHL-QFIPXVFZSA-N 0 3 426.532 4.465 40 0 IIABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000019020532 556693406 /nfs/dbraw/zinc/69/34/06/556693406.db2.gz UDRHPNIGGWDEKH-SANMLTNESA-N 0 3 430.552 4.145 40 0 IIABHN COc1ccccc1-c1cccc(CN2CCOC[C@@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257342572 556707526 /nfs/dbraw/zinc/70/75/26/556707526.db2.gz ZPHCTKUFTCEMPC-NRFANRHFSA-N 0 3 428.536 4.096 40 0 IIABHN Fc1ccc(COc2cccc(CN3CCOC[C@H](Cc4cn5ccnc5cn4)C3)c2)cc1 ZINC000257228250 556708473 /nfs/dbraw/zinc/70/84/73/556708473.db2.gz FTCBQGZOTHVFBY-JOCHJYFZSA-N 0 3 446.526 4.139 40 0 IIABHN COCc1ccc(OC)c(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 ZINC000019217350 556712575 /nfs/dbraw/zinc/71/25/75/556712575.db2.gz OUZHZSDNADGSNH-NFBKMPQASA-N 0 3 428.598 4.443 40 0 IIABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3CC)cc2c1 ZINC000000894873 556740406 /nfs/dbraw/zinc/74/04/06/556740406.db2.gz KMMLRLFAUSFPDY-UHFFFAOYSA-N 0 3 436.625 4.414 40 0 IIABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccncc2)C1 ZINC000019448947 556759022 /nfs/dbraw/zinc/75/90/22/556759022.db2.gz XRLQRDYCYHBKCE-HHHXNRCGSA-N 0 3 428.580 4.493 40 0 IIABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019448939 556759072 /nfs/dbraw/zinc/75/90/72/556759072.db2.gz CYTXIAYHEJYTFZ-HHHXNRCGSA-N 0 3 428.580 4.493 40 0 IIABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000019499321 556771128 /nfs/dbraw/zinc/77/11/28/556771128.db2.gz NOWPEOFLDJDBCM-SFTDATJTSA-N 0 3 444.959 4.073 40 0 IIABHN COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)Cc2ccsc2)c1 ZINC000019552622 556796489 /nfs/dbraw/zinc/79/64/89/556796489.db2.gz DUAQOITVZMZCFM-XZOQPEGZSA-N 0 3 436.577 4.092 40 0 IIABHN COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccc(OC)cc4)C3)no2)cc1 ZINC000019555808 556798967 /nfs/dbraw/zinc/79/89/67/556798967.db2.gz RZGGVOXYGOWXSM-HXUWFJFHSA-N 0 3 435.524 4.001 40 0 IIABHN COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 ZINC000019570560 556810731 /nfs/dbraw/zinc/81/07/31/556810731.db2.gz UEQSRKJMTNFUNU-VABKMULXSA-N 0 3 433.577 4.282 40 0 IIABHN Cc1cc2cc(CN(CCN(C)C)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C ZINC000004231218 556820595 /nfs/dbraw/zinc/82/05/95/556820595.db2.gz UDVBCNQHTAFVFA-UHFFFAOYSA-N 0 3 426.948 4.394 40 0 IIABHN CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019591331 556826533 /nfs/dbraw/zinc/82/65/33/556826533.db2.gz JTZKDCMGGLNUOC-MHZLTWQESA-N 0 3 429.564 4.328 40 0 IIABHN Cc1nc([C@H]2CCCN(Cc3cn(C)c4ccc(F)cc34)C2)ncc1C(=O)N1CCCCC1 ZINC000019763301 556907984 /nfs/dbraw/zinc/90/79/84/556907984.db2.gz OPGWXWRCTPJABL-IBGZPJMESA-N 0 3 449.574 4.422 40 0 IIABHN CN1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000072377283 556956204 /nfs/dbraw/zinc/95/62/04/556956204.db2.gz HHAUEFUANYKJFO-LJQANCHMSA-N 0 3 447.505 4.140 40 0 IIABHN COCc1ccc(OC)c(CN2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 ZINC000072389769 556959851 /nfs/dbraw/zinc/95/98/51/556959851.db2.gz IMGHBSPUVOLNHC-INIZCTEOSA-N 0 3 434.462 4.201 40 0 IIABHN C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104150 557036414 /nfs/dbraw/zinc/03/64/14/557036414.db2.gz JODOVSBUUKNLRL-CLOONOSVSA-N 0 3 448.592 4.017 40 0 IIABHN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101200963 557245620 /nfs/dbraw/zinc/24/56/20/557245620.db2.gz HQSPYXVGXOZEBV-VJBWXMMDSA-N 0 3 432.451 4.276 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102727771 557306448 /nfs/dbraw/zinc/30/64/48/557306448.db2.gz GIIMJJMIHWGLSE-AQNXPRMDSA-N 0 3 440.286 4.440 40 0 IIABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102736572 557306751 /nfs/dbraw/zinc/30/67/51/557306751.db2.gz MYCSDMQSSHIWLC-HBFSDRIKSA-N 0 3 440.286 4.440 40 0 IIABHN COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@@H]3CCCCN32)cc1O ZINC000013407238 557322544 /nfs/dbraw/zinc/32/25/44/557322544.db2.gz TYTIBYQBVJUCGJ-NNWRFLSQSA-N 0 3 425.525 4.340 40 0 IIABHN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000222601945 557359879 /nfs/dbraw/zinc/35/98/79/557359879.db2.gz AIERIGHJYTTYDN-QGZVFWFLSA-N 0 3 428.533 4.198 40 0 IIABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c(Cl)c1Cl ZINC000224770874 557649944 /nfs/dbraw/zinc/64/99/44/557649944.db2.gz IHLALNBDPZTIQS-UHFFFAOYSA-N 0 3 429.369 4.076 40 0 IIABHN Cc1cnn(CCOc2cccc(CN3CCC[C@](O)(COc4ccc(C)cc4)CC3)c2)c1 ZINC000585270630 568617086 /nfs/dbraw/zinc/61/70/86/568617086.db2.gz HCZHRQUQASLRBZ-HHHXNRCGSA-N 0 3 449.595 4.375 40 0 IIABHN Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCCCn4cccn4)cc3)CC2)cc1 ZINC000585272840 568617995 /nfs/dbraw/zinc/61/79/95/568617995.db2.gz JVMYETLBQMUNKB-MHZLTWQESA-N 0 3 449.595 4.457 40 0 IIABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3cc(C)c(OC)cc3C)C2)nc1C ZINC000257202379 568666441 /nfs/dbraw/zinc/66/64/41/568666441.db2.gz ALMUEOPXWSAQEF-OAQYLSRUSA-N 0 3 438.616 4.119 40 0 IIABHN Cc1cc(N(C)C)nc([C@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257208175 568668857 /nfs/dbraw/zinc/66/88/57/568668857.db2.gz BLAXTOQFWJIIJC-AREMUKBSSA-N 0 3 431.584 4.379 40 0 IIABHN COc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1 ZINC000257294956 568708849 /nfs/dbraw/zinc/70/88/49/568708849.db2.gz QWKKHBLPVHOPDE-HXUWFJFHSA-N 0 3 448.542 4.412 40 0 IIABHN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cnn(C)c4C)CC3)CO[C@H]21 ZINC000257299290 568711132 /nfs/dbraw/zinc/71/11/32/568711132.db2.gz RPLJJUSHGHPFMU-RBBKRZOGSA-N 0 3 425.573 4.268 40 0 IIABHN COc1cc(C)c(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)cc1C ZINC000019567298 569226931 /nfs/dbraw/zinc/22/69/31/569226931.db2.gz CIHJJHNMJQTKQT-QFQXNSOFSA-N 0 3 444.579 4.485 40 0 IIABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1 ZINC000019565038 569227027 /nfs/dbraw/zinc/22/70/27/569227027.db2.gz FAPFMKBZDUMDCB-QFQXNSOFSA-N 0 3 445.563 4.482 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000019702130 569231804 /nfs/dbraw/zinc/23/18/04/569231804.db2.gz WQEHPWCRDYPHRW-SFHVURJKSA-N 0 3 446.576 4.210 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000009463596 569296432 /nfs/dbraw/zinc/29/64/32/569296432.db2.gz WOETXSICZKRVLL-VSKRKVRLSA-N 0 3 434.879 4.400 40 0 IIABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707113 569327534 /nfs/dbraw/zinc/32/75/34/569327534.db2.gz WZKKYPIAVPRVNN-JOCHJYFZSA-N 0 3 429.568 4.177 40 0 IIABHN COc1cccc(CNC(=O)c2cnc([C@H]3CCN(Cc4cccc(C)c4)C3)nc2C)c1 ZINC000019758091 569328751 /nfs/dbraw/zinc/32/87/51/569328751.db2.gz AHVSPTDNJODFMZ-QFIPXVFZSA-N 0 3 430.552 4.022 40 0 IIABHN Cc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)cc1 ZINC000328970348 569584248 /nfs/dbraw/zinc/58/42/48/569584248.db2.gz DJLUYJBANWEROB-UHFFFAOYSA-N 0 3 431.462 5.068 40 0 IIABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccccc1F ZINC000022074138 520706294 /nfs/dbraw/zinc/70/62/94/520706294.db2.gz VDZJFVKSRZNNMD-UHFFFAOYSA-N 0 3 426.326 4.426 40 0 IIABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000013566928 556520271 /nfs/dbraw/zinc/52/02/71/556520271.db2.gz JVYHPPCQDGGVQY-FQEVSTJZSA-N 0 3 443.341 4.255 40 0 IIABHN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 ZINC000032125407 556534898 /nfs/dbraw/zinc/53/48/98/556534898.db2.gz TXVCNQPZEOHRGZ-UHFFFAOYSA-N 0 3 440.613 4.134 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000100977395 556633653 /nfs/dbraw/zinc/63/36/53/556633653.db2.gz OXYHMUFBTGERQS-SGNDLWITSA-N 0 3 444.487 4.232 40 0 IIABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857021 556672761 /nfs/dbraw/zinc/67/27/61/556672761.db2.gz BWMIZDKTAXRRLR-QHCPKHFHSA-N 0 3 428.598 4.203 40 0 IIABHN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCN3CCCC[C@@H]3C)CCCO2)c1 ZINC000257218452 556703563 /nfs/dbraw/zinc/70/35/63/556703563.db2.gz DDFGDFAMEXDXDS-KDYSTLNUSA-N 0 3 436.596 4.445 40 0 IIABHN Cc1ccc(C2(O)CCN(Cc3cn(CC(=O)N4CCCC4)c4ccccc34)CC2)cc1 ZINC000019208609 556708247 /nfs/dbraw/zinc/70/82/47/556708247.db2.gz KTFHJDPHQVXZGL-UHFFFAOYSA-N 0 3 431.580 4.056 40 0 IIABHN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(CCc2ccccc2)Cc2cccs2)C1 ZINC000257251717 556711641 /nfs/dbraw/zinc/71/16/41/556711641.db2.gz JRWWTRRJHFYPNE-ZEQRLZLVSA-N 0 3 436.577 4.175 40 0 IIABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccnc2)C1 ZINC000019448941 556759120 /nfs/dbraw/zinc/75/91/20/556759120.db2.gz CYTXIAYHEJYTFZ-MHZLTWQESA-N 0 3 428.580 4.493 40 0 IIABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000101195630 556761840 /nfs/dbraw/zinc/76/18/40/556761840.db2.gz ZPTSNQBCAKAQMC-ZLNRFVROSA-N 0 3 432.451 4.276 40 0 IIABHN CCN1CCN(Cc2cccc(OC)c2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527756 556787379 /nfs/dbraw/zinc/78/73/79/556787379.db2.gz MMHXYBAXDHILFD-XMMPIXPASA-N 0 3 429.564 4.280 40 0 IIABHN CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)ccc1OC ZINC000019532129 556792611 /nfs/dbraw/zinc/79/26/11/556792611.db2.gz HQMPUMFCAUOZRI-VQTJNVASSA-N 0 3 437.515 4.008 40 0 IIABHN CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[n-]c(C)n3)C2)ccc1OC ZINC000019532129 556792614 /nfs/dbraw/zinc/79/26/14/556792614.db2.gz HQMPUMFCAUOZRI-VQTJNVASSA-N 0 3 437.515 4.008 40 0 IIABHN Cc1c(CN2CCC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)cnn1C ZINC000019553621 556797226 /nfs/dbraw/zinc/79/72/26/556797226.db2.gz ZUFACYUYBUFDQQ-MHZLTWQESA-N 0 3 445.611 4.140 40 0 IIABHN COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4cccc(OC)c4)C3)no2)cc1 ZINC000019555826 556799131 /nfs/dbraw/zinc/79/91/31/556799131.db2.gz PWPICUNPOMGEAQ-HXUWFJFHSA-N 0 3 435.524 4.001 40 0 IIABHN COc1cc(CN2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)cc(OC)c1OC ZINC000019557917 556799777 /nfs/dbraw/zinc/79/97/77/556799777.db2.gz NSAJTMRGJLUTOE-GOSISDBHSA-N 0 3 426.517 4.435 40 0 IIABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](C(C)C)C2 ZINC000019566161 556806931 /nfs/dbraw/zinc/80/69/31/556806931.db2.gz VUOVYLDPZMZMKW-HXUWFJFHSA-N 0 3 434.540 4.371 40 0 IIABHN Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](C(C)C)C2 ZINC000019566161 556806932 /nfs/dbraw/zinc/80/69/32/556806932.db2.gz VUOVYLDPZMZMKW-HXUWFJFHSA-N 0 3 434.540 4.371 40 0 IIABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)[nH]c4ccc(F)cc43)CC1)C[C@@H]2O ZINC000019581424 556819332 /nfs/dbraw/zinc/81/93/32/556819332.db2.gz QHSHNXYKSRBEAX-VXKWHMMOSA-N 0 3 440.515 4.008 40 0 IIABHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019582552 556820342 /nfs/dbraw/zinc/82/03/42/556820342.db2.gz KYYSKXCIMJZZTI-UHFFFAOYSA-N 0 3 429.499 4.035 40 0 IIABHN COc1cc(CN(C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)ccc1OC(F)F ZINC000005830993 556827373 /nfs/dbraw/zinc/82/73/73/556827373.db2.gz MDWWFSJAMFUYHX-GUDVDZBRSA-N 0 3 425.516 4.098 40 0 IIABHN Cc1nc([C@@H]2CCCN(Cc3ccc(-c4ccccn4)cc3)C2)nc2c1CCC(=O)N2C ZINC000019741529 556883873 /nfs/dbraw/zinc/88/38/73/556883873.db2.gz RIHFMVATXGHWRO-OAQYLSRUSA-N 0 3 427.552 4.136 40 0 IIABHN O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000072370527 556935222 /nfs/dbraw/zinc/93/52/22/556935222.db2.gz WKOHPQSMEOTQMU-IBGZPJMESA-N 0 3 426.557 4.360 40 0 IIABHN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccnc(N2CCCC2)n1 ZINC000072370757 556936542 /nfs/dbraw/zinc/93/65/42/556936542.db2.gz KGPSYBMQRNWXLM-IBGZPJMESA-N 0 3 449.624 4.378 40 0 IIABHN Cc1cccnc1Nc1cccc([C@H]2CCCN(Cc3ccc4c(c3)n(C)c(=O)n4C)C2)n1 ZINC000072376082 556953905 /nfs/dbraw/zinc/95/39/05/556953905.db2.gz NNXOMCNPJAHKNZ-FQEVSTJZSA-N 0 3 442.567 4.099 40 0 IIABHN O=C(c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cccnc1)N1CCOCC1 ZINC000072380061 556957294 /nfs/dbraw/zinc/95/72/94/556957294.db2.gz WVGOGHSDAYNYPN-FQEVSTJZSA-N 0 3 435.593 4.366 40 0 IIABHN CC[C@H]1CCCCN1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2cc(C)no2)CC1 ZINC000257203926 556980573 /nfs/dbraw/zinc/98/05/73/556980573.db2.gz ASFLOVJFLPKMHH-ACRUOGEOSA-N 0 3 439.604 4.403 40 0 IIABHN O=C(CC1CCOCC1)NC1CC2(C1)CCN(Cc1ccc(OCC(F)F)cc1)CC2 ZINC000585103634 557035918 /nfs/dbraw/zinc/03/59/18/557035918.db2.gz QEVOPXLXXVNTBJ-UHFFFAOYSA-N 0 3 436.543 4.008 40 0 IIABHN CC(=O)N[C@]12CN(Cc3cc4ccccc4s3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000585261343 557194602 /nfs/dbraw/zinc/19/46/02/557194602.db2.gz WZOLMBJYOVJKOJ-LGPLSSKUSA-N 0 3 447.604 4.202 40 0 IIABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OC[C@@H]3CCCO3)C[C@H]2c2ccccc2)N1 ZINC000585261704 557196442 /nfs/dbraw/zinc/19/64/42/557196442.db2.gz XOJXRERVKAHGSV-NLJOTIRTSA-N 0 3 434.580 4.273 40 0 IIABHN CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000219426606 557244851 /nfs/dbraw/zinc/24/48/51/557244851.db2.gz HTXYOAGBUGVKKY-UHFFFAOYSA-N 0 3 428.533 4.198 40 0 IIABHN Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000022929097 557277589 /nfs/dbraw/zinc/27/75/89/557277589.db2.gz JQKWSZNKSXGCPB-RUZDIDTESA-N 0 3 430.600 4.070 40 0 IIABHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)c1 ZINC000101130086 557350924 /nfs/dbraw/zinc/35/09/24/557350924.db2.gz GWDKFFDTNYDZTC-VABKMULXSA-N 0 3 446.528 4.468 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000033889020 557375473 /nfs/dbraw/zinc/37/54/73/557375473.db2.gz OXYHMUFBTGERQS-SMIHKQSGSA-N 0 3 444.487 4.232 40 0 IIABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223259856 557452107 /nfs/dbraw/zinc/45/21/07/557452107.db2.gz UDTVWTLFUASAKS-NHCUHLMSSA-N 0 3 425.989 4.060 40 0 IIABHN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223290427 557456293 /nfs/dbraw/zinc/45/62/93/557456293.db2.gz ZVRDISUKUTZRKA-RPWUZVMVSA-N 0 3 433.625 4.332 40 0 IIABHN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223750416 557509063 /nfs/dbraw/zinc/50/90/63/557509063.db2.gz VHRRPJIIZXKYCZ-DHIUTWEWSA-N 0 3 427.533 4.453 40 0 IIABHN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 ZINC000224522951 557616279 /nfs/dbraw/zinc/61/62/79/557616279.db2.gz POGNZQSENPDLBH-PKTZIBPZSA-N 0 3 427.533 4.453 40 0 IIABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000225573893 557745220 /nfs/dbraw/zinc/74/52/20/557745220.db2.gz BHZCVHOBIFYJNH-UHFFFAOYSA-N 0 3 426.532 4.377 40 0 IIABHN C[C@@H]1C[C@H](C)CN(CCNC(=O)C2(Cc3ccccc3-c3ccncc3)CCOCC2)C1 ZINC000257197526 568664870 /nfs/dbraw/zinc/66/48/70/568664870.db2.gz CBALBWOTUMDPJG-SZPZYZBQSA-N 0 3 435.612 4.182 40 0 IIABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000257253420 568690200 /nfs/dbraw/zinc/69/02/00/568690200.db2.gz JYXKMBAGAOLUNE-LJQANCHMSA-N 0 3 446.576 4.210 40 0 IIABHN COc1ccc(CN(C)C)cc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C ZINC000257289649 568706500 /nfs/dbraw/zinc/70/65/00/568706500.db2.gz PZPNOAUMZRWULF-LWVNCIGZSA-N 0 3 428.617 4.411 40 0 IIABHN O=C(c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3[nH]ccc3c2)C1)N1CCOCC1 ZINC000257299958 568711213 /nfs/dbraw/zinc/71/12/13/568711213.db2.gz RSIJAQAQSGIDEX-LJQANCHMSA-N 0 3 446.576 4.240 40 0 IIABHN COc1cccc(CN2CC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 ZINC000257332389 568725394 /nfs/dbraw/zinc/72/53/94/568725394.db2.gz XXCMBOUZFRYGJE-HXUWFJFHSA-N 0 3 448.542 4.412 40 0 IIABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5cccc(C)n5)C4)nn3c2)c1OC ZINC000306124198 568763012 /nfs/dbraw/zinc/76/30/12/568763012.db2.gz BIYUJJJMCVREHI-HXUWFJFHSA-N 0 3 443.551 4.497 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3Cl)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306127772 568764935 /nfs/dbraw/zinc/76/49/35/568764935.db2.gz GHJFXWXSYPYRLI-HYBUGGRVSA-N 0 3 426.992 4.346 40 0 IIABHN Cc1c(F)cccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000329048486 568810385 /nfs/dbraw/zinc/81/03/85/568810385.db2.gz ULBVUODHXXLNLA-UHFFFAOYSA-N 0 3 449.452 4.051 40 0 IIABHN C[C@@]1(N(CCNCc2cccc(Cl)c2)Cc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575421190 568863236 /nfs/dbraw/zinc/86/32/36/568863236.db2.gz NLTHEIGQTUZLFT-OAQYLSRUSA-N 0 3 441.424 4.162 40 0 IIABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ncccc2C)C1 ZINC000019237794 569226464 /nfs/dbraw/zinc/22/64/64/569226464.db2.gz IRSHULNKOTXEDY-NBGIEHNGSA-N 0 3 430.552 4.177 40 0 IIABHN COc1ccc2c(c1)C=C(CN1CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C1)CO2 ZINC000019704673 569233561 /nfs/dbraw/zinc/23/35/61/569233561.db2.gz RGHSTAWBIOUUPD-GOSISDBHSA-N 0 3 435.499 4.402 40 0 IIABHN COc1ccc2c(c1)c(CN1CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)cn2C(C)C ZINC000019763638 569238007 /nfs/dbraw/zinc/23/80/07/569238007.db2.gz INCOZJKEUBQREW-IBGZPJMESA-N 0 3 449.599 4.411 40 0 IIABHN COc1ccc(NC(=O)c2cnc(C3CCN(Cc4ccccc4OC)CC3)nc2C)cc1 ZINC000019763782 569238247 /nfs/dbraw/zinc/23/82/47/569238247.db2.gz ZHPMJGMFRIZITI-UHFFFAOYSA-N 0 3 446.551 4.434 40 0 IIABHN COc1ccc(OC)c(CN2CCC(c3nc(-c4ccccc4)c(C(=O)N(C)C)[nH]3)CC2)c1 ZINC000019698819 569326878 /nfs/dbraw/zinc/32/68/78/569326878.db2.gz FVSMRIUXRXONFE-UHFFFAOYSA-N 0 3 448.567 4.175 40 0 IIABHN COc1ccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)cc1OC ZINC000019700127 569327027 /nfs/dbraw/zinc/32/70/27/569327027.db2.gz XDCHOJVWPFBOQH-UHFFFAOYSA-N 0 3 445.563 4.076 40 0 IIABHN COc1ccccc1CNC(=O)c1cncnc1CC1CCN(Cc2cccc(F)c2)CC1 ZINC000019756807 569328603 /nfs/dbraw/zinc/32/86/03/569328603.db2.gz KWJNTIYXRGNVHZ-UHFFFAOYSA-N 0 3 448.542 4.009 40 0 IIABHN CCOc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc(OCC)c1OCC ZINC000010000572 132333603 /nfs/dbraw/zinc/33/36/03/132333603.db2.gz QRLQOLXHBZMRAD-UHFFFAOYSA-N 0 3 441.572 4.277 40 0 IIABHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075555 520714016 /nfs/dbraw/zinc/71/40/16/520714016.db2.gz ZKNCYWZFXMATFZ-UHFFFAOYSA-N 0 3 425.342 4.217 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000100799265 556591132 /nfs/dbraw/zinc/59/11/32/556591132.db2.gz WMUKCJWSARQGPN-VSKRKVRLSA-N 0 3 434.879 4.400 40 0 IIABHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000100799277 556591524 /nfs/dbraw/zinc/59/15/24/556591524.db2.gz VOOMCSJTSLNGRL-AABGKKOBSA-N 0 3 440.908 4.461 40 0 IIABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cccc(OCc3cccnc3)c2)CC1 ZINC000019021130 556693569 /nfs/dbraw/zinc/69/35/69/556693569.db2.gz GEAHNBPCJUPVDP-UHFFFAOYSA-N 0 3 433.527 4.427 40 0 IIABHN COc1cccc([C@@H]2CN(C(=O)CN3CCC(C(C)(C)C)CC3)C[C@H]2c2csnn2)c1 ZINC000019082367 556697393 /nfs/dbraw/zinc/69/73/93/556697393.db2.gz FEOKAZRHJPDSPS-LEWJYISDSA-N 0 3 442.629 4.014 40 0 IIABHN CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257324551 556704847 /nfs/dbraw/zinc/70/48/47/556704847.db2.gz WPFNMLLVLPJYEA-AREMUKBSSA-N 0 3 442.575 4.213 40 0 IIABHN COCCOc1cc(CN2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)ccc1OC ZINC000257334229 556705919 /nfs/dbraw/zinc/70/59/19/556705919.db2.gz YFCFGRAOKFXGMQ-AREMUKBSSA-N 0 3 443.584 4.479 40 0 IIABHN CN([C@@H]1CCCN(Cc2ccccc2N2CCCC2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257269493 556713711 /nfs/dbraw/zinc/71/37/11/556713711.db2.gz MQGCILQSFDXSMP-XMMPIXPASA-N 0 3 441.641 4.103 40 0 IIABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2 ZINC000019376352 556752153 /nfs/dbraw/zinc/75/21/53/556752153.db2.gz HMHJSCHUAWZGCF-DNQXCXABSA-N 0 3 431.532 4.159 40 0 IIABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)[n-]c2=O)C1 ZINC000019448373 556757852 /nfs/dbraw/zinc/75/78/52/556757852.db2.gz QLGGDAOKNFAGQM-FQEVSTJZSA-N 0 3 440.613 4.256 40 0 IIABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3csc4c3CCCC4)[n-]c2=O)C1 ZINC000019448373 556757854 /nfs/dbraw/zinc/75/78/54/556757854.db2.gz QLGGDAOKNFAGQM-FQEVSTJZSA-N 0 3 440.613 4.256 40 0 IIABHN CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1 ZINC000019499317 556771194 /nfs/dbraw/zinc/77/11/94/556771194.db2.gz NOVXMTZAJTXZRK-GOTSBHOMSA-N 0 3 438.568 4.036 40 0 IIABHN COc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1OC ZINC000019584430 556821802 /nfs/dbraw/zinc/82/18/02/556821802.db2.gz NMHYYQFUVHYOJC-HXUWFJFHSA-N 0 3 433.556 4.001 40 0 IIABHN COc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)cc1OC ZINC000019584610 556822181 /nfs/dbraw/zinc/82/21/81/556822181.db2.gz SUMQNFFWFFUQNM-UHFFFAOYSA-N 0 3 433.556 4.001 40 0 IIABHN COCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000019592997 556829226 /nfs/dbraw/zinc/82/92/26/556829226.db2.gz DOBTWHIAGIMREV-IGKIAQTJSA-N 0 3 429.564 4.465 40 0 IIABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000006300346 556831842 /nfs/dbraw/zinc/83/18/42/556831842.db2.gz YEQJPNHSPDVVHG-IBGZPJMESA-N 0 3 436.625 4.144 40 0 IIABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000006410185 556835398 /nfs/dbraw/zinc/83/53/98/556835398.db2.gz DCUMYGIJFOJLTA-LJQANCHMSA-N 0 3 436.625 4.144 40 0 IIABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC ZINC000008582816 556842389 /nfs/dbraw/zinc/84/23/89/556842389.db2.gz ROJUKTZSZZWFME-OAQYLSRUSA-N 0 3 448.567 4.364 40 0 IIABHN CCCN1C(=O)CCc2c(C)nc(C3CCN(Cc4c[nH]nc4-c4ccccc4)CC3)nc21 ZINC000019739351 556877562 /nfs/dbraw/zinc/87/75/62/556877562.db2.gz ZOVMXKVZSIWWPV-UHFFFAOYSA-N 0 3 444.583 4.244 40 0 IIABHN COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(C5CCCC5)C4)nc32)c1 ZINC000019741448 556883615 /nfs/dbraw/zinc/88/36/15/556883615.db2.gz GRROJTYLIPJRPO-FQEVSTJZSA-N 0 3 434.584 4.395 40 0 IIABHN CCOc1ccc(CN2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)cc1 ZINC000019757000 556901205 /nfs/dbraw/zinc/90/12/05/556901205.db2.gz SWHPLXBKYZSORC-UHFFFAOYSA-N 0 3 437.569 4.039 40 0 IIABHN COc1cc2c(cc1CN1CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)CCC2 ZINC000072353691 556927630 /nfs/dbraw/zinc/92/76/30/556927630.db2.gz USIIPZNSQVPSOC-HXUWFJFHSA-N 0 3 429.568 4.306 40 0 IIABHN CNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cn(C(C)=O)c3ccccc23)C1 ZINC000072361014 556933222 /nfs/dbraw/zinc/93/32/22/556933222.db2.gz WKBSYPSINQRZSJ-INIZCTEOSA-N 0 3 432.549 4.260 40 0 IIABHN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cnc(C)s1 ZINC000072370326 556934516 /nfs/dbraw/zinc/93/45/16/556934516.db2.gz WNWBXZSFILFXRZ-INIZCTEOSA-N 0 3 429.611 4.250 40 0 IIABHN O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000072370528 556935308 /nfs/dbraw/zinc/93/53/08/556935308.db2.gz WKOHPQSMEOTQMU-LJQANCHMSA-N 0 3 426.557 4.360 40 0 IIABHN CC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NC1CCN(C)CC1 ZINC000072370789 556936560 /nfs/dbraw/zinc/93/65/60/556936560.db2.gz XTAPYDBXXLOBNE-LJQANCHMSA-N 0 3 427.614 4.059 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371469 556938893 /nfs/dbraw/zinc/93/88/93/556938893.db2.gz LYVCCSCZJDKELJ-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN Cc1nn(C)cc1CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371469 556938897 /nfs/dbraw/zinc/93/88/97/556938897.db2.gz LYVCCSCZJDKELJ-INIZCTEOSA-N 0 3 433.478 4.081 40 0 IIABHN CCc1nccn1CCC(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374953 556949846 /nfs/dbraw/zinc/94/98/46/556949846.db2.gz ANZPKEMTABBXLV-FQEVSTJZSA-N 0 3 432.572 4.392 40 0 IIABHN COc1ccc(OC)c(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398584 556970339 /nfs/dbraw/zinc/97/03/39/556970339.db2.gz NHCVPLXYQUOXQQ-JPYJTQIMSA-N 0 3 425.573 4.214 40 0 IIABHN Cc1nccn1CCCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585271512 557213275 /nfs/dbraw/zinc/21/32/75/557213275.db2.gz AILSDGDDCFMRTN-SANMLTNESA-N 0 3 435.568 4.067 40 0 IIABHN OC1(COc2ccc(CN3CCC(O)(COc4ccccc4F)CC3)cc2)CCCCC1 ZINC000585272072 557216609 /nfs/dbraw/zinc/21/66/09/557216609.db2.gz ITYHUVVRSLFXOK-UHFFFAOYSA-N 0 3 443.559 4.306 40 0 IIABHN COc1ccc(CN2CCC(Nc3nc(C)nc4sc(C)cc43)CC2)cc1CN(C)C ZINC000585292336 557230397 /nfs/dbraw/zinc/23/03/97/557230397.db2.gz HMLJZHQXKKTCAS-UHFFFAOYSA-N 0 3 439.629 4.455 40 0 IIABHN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000219426497 557244956 /nfs/dbraw/zinc/24/49/56/557244956.db2.gz ANITYYHAKJPLBX-UHFFFAOYSA-N 0 3 442.922 4.400 40 0 IIABHN CN1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CC1 ZINC000219427057 557245016 /nfs/dbraw/zinc/24/50/16/557245016.db2.gz GPGTXBXZTMIDLV-UHFFFAOYSA-N 0 3 425.548 4.149 40 0 IIABHN Clc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 ZINC000022929131 557277559 /nfs/dbraw/zinc/27/75/59/557277559.db2.gz LCOUTTHPRKRXBV-HSZRJFAPSA-N 0 3 436.991 4.024 40 0 IIABHN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223750252 557509114 /nfs/dbraw/zinc/50/91/14/557509114.db2.gz VHRRPJIIZXKYCZ-GOTSBHOMSA-N 0 3 427.533 4.453 40 0 IIABHN Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020121792 557515443 /nfs/dbraw/zinc/51/54/43/557515443.db2.gz VLJWQVKTUARHQT-QFIPXVFZSA-N 0 3 429.012 4.481 40 0 IIABHN Cn1c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2sc1=O ZINC000225021852 557678848 /nfs/dbraw/zinc/67/88/48/557678848.db2.gz LDXZLKULQMJPLS-UHFFFAOYSA-N 0 3 429.545 4.411 40 0 IIABHN COCCc1ncc(CN2CCC(c3cc(Nc4cccc(C)n4)cc(C)n3)CC2)cn1 ZINC000257232746 568680408 /nfs/dbraw/zinc/68/04/08/568680408.db2.gz GMFHTVMDGXVABA-UHFFFAOYSA-N 0 3 432.572 4.196 40 0 IIABHN Cc1csc(Nc2cc(C)nc([C@H]3CN(C(=O)c4[nH]nc5ccc(C)cc54)CCO3)c2)n1 ZINC000257239438 568683358 /nfs/dbraw/zinc/68/33/58/568683358.db2.gz HPGRDACQYIAUNH-HXUWFJFHSA-N 0 3 448.552 4.297 40 0 IIABHN COCC(=O)N1CCC2(CN(Cc3ccc(Cl)c(F)c3)C[C@@H]2c2ccccc2)CC1 ZINC000257286562 568705159 /nfs/dbraw/zinc/70/51/59/568705159.db2.gz PMAGMKVUCKSPAF-HXUWFJFHSA-N 0 3 430.951 4.334 40 0 IIABHN COc1cc2c(cc1CN1CCC(c3cc(Nc4ncccn4)cc(C)n3)CC1)OCCO2 ZINC000257287620 568705621 /nfs/dbraw/zinc/70/56/21/568705621.db2.gz PQSYIUIZPBTFBN-UHFFFAOYSA-N 0 3 447.539 4.083 40 0 IIABHN Cc1nc([C@@H]2CCN(Cc3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257288629 568706257 /nfs/dbraw/zinc/70/62/57/568706257.db2.gz PVALFIPKNHTEFL-HSZRJFAPSA-N 0 3 426.564 4.296 40 0 IIABHN Cc1ccc2n[nH]c(C(=O)N3CCO[C@@H](c4cc(Nc5ncccc5C)cc(C)n4)C3)c2c1 ZINC000257293915 568708560 /nfs/dbraw/zinc/70/85/60/568708560.db2.gz QRRVJMUHTGSQCC-JOCHJYFZSA-N 0 3 442.523 4.235 40 0 IIABHN CC(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)CC1 ZINC000257310261 568715729 /nfs/dbraw/zinc/71/57/29/568715729.db2.gz UEKGJVCNSYBRIQ-QFIPXVFZSA-N 0 3 434.584 4.407 40 0 IIABHN Cc1nc(N(C)C)cc([C@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1 ZINC000257317270 568718984 /nfs/dbraw/zinc/71/89/84/568718984.db2.gz VJBZBJSQRGPLPF-AREMUKBSSA-N 0 3 431.584 4.379 40 0 IIABHN O=C(CC1CCCC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306125603 568763974 /nfs/dbraw/zinc/76/39/74/568763974.db2.gz CVIBGBKANDTFAZ-UHFFFAOYSA-N 0 3 448.611 4.436 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3cccc(Cl)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306129075 568765345 /nfs/dbraw/zinc/76/53/45/568765345.db2.gz HTWUOOZYSMRVNT-QPPBQGQZSA-N 0 3 426.992 4.346 40 0 IIABHN O=C(C1CCCCC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 ZINC000306131098 568766333 /nfs/dbraw/zinc/76/63/33/568766333.db2.gz JWPIGSKIBLERLT-UHFFFAOYSA-N 0 3 448.611 4.436 40 0 IIABHN CC(C)n1cnc([C@H]2CN(Cc3ccccc3F)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306137211 568769957 /nfs/dbraw/zinc/76/99/57/568769957.db2.gz QPBNBSHKQYKWLS-ATIYNZHBSA-N 0 3 447.558 4.016 40 0 IIABHN CCOc1cc2c(cc1CN1CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)CCC2 ZINC000019762958 569237743 /nfs/dbraw/zinc/23/77/43/569237743.db2.gz WZUWHTPDYADDMW-QFIPXVFZSA-N 0 3 448.611 4.288 40 0 IIABHN COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000018067662 569284752 /nfs/dbraw/zinc/28/47/52/569284752.db2.gz HKVSAYZUUFBPRN-FKBYEOEOSA-N 0 3 434.879 4.400 40 0 IIABHN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@H]4C[C@@H]3CC(C)(C)C4)c21 ZINC000009233205 569294679 /nfs/dbraw/zinc/29/46/79/569294679.db2.gz RWCMATOEQGUTIZ-DLBZAZTESA-N 0 3 441.572 4.121 40 0 IIABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(O)c4)[C@@H]3C2=O)cc1 ZINC000009424913 569296238 /nfs/dbraw/zinc/29/62/38/569296238.db2.gz QQENCQLIBAWUEO-VXNXHJTFSA-N 0 3 444.487 4.232 40 0 IIABHN CCOc1ccc(CN2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 ZINC000019763528 569328920 /nfs/dbraw/zinc/32/89/20/569328920.db2.gz ZCVBELBVRILQTI-QHCPKHFHSA-N 0 3 444.579 4.493 40 0 IIABHN