smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164427453 718954518 /nfs/dbraw/zinc/95/45/18/718954518.db2.gz CRGWPSHIXYEZJU-XMMPIXPASA-N 0 3 448.611 3.679 20 0 IHADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)c2c1CCNC2 ZINC001164681575 719618981 /nfs/dbraw/zinc/61/89/81/719618981.db2.gz IJBKOLWBKWOQQM-UHFFFAOYSA-N 0 3 438.885 3.702 20 0 IHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164725466 720392344 /nfs/dbraw/zinc/39/23/44/720392344.db2.gz NOLJDHQGSKKBAK-GOTSBHOMSA-N 0 3 428.515 3.867 20 0 IHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164725396 720394451 /nfs/dbraw/zinc/39/44/51/720394451.db2.gz NFNHDCMAVNAZSA-PKTZIBPZSA-N 0 3 428.515 3.867 20 0 IHADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727022 720455926 /nfs/dbraw/zinc/45/59/26/720455926.db2.gz CTVYDPWSOMAHIL-VXKWHMMOSA-N 0 3 429.524 3.553 20 0 IHADHN c1csc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)c1 ZINC001164741569 720656718 /nfs/dbraw/zinc/65/67/18/720656718.db2.gz UGPVODYCMZFCRN-GJZGRUSLSA-N 0 3 436.566 3.552 20 0 IHADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746732 720802506 /nfs/dbraw/zinc/80/25/06/720802506.db2.gz MWKCPVUMLXXPRJ-HUUCEWRRSA-N 0 3 431.874 3.607 20 0 IHADHN CCn1nnc2c1CCN(c1ccc(CN(C)C3CC3)cn1)[C@@H]2COCc1ccccc1 ZINC001164764001 721049150 /nfs/dbraw/zinc/04/91/50/721049150.db2.gz AHYPIKVKWHGSAH-HSZRJFAPSA-N 0 3 432.572 3.608 20 0 IHADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866717 721078769 /nfs/dbraw/zinc/07/87/69/721078769.db2.gz UTCMFFNJPXYZCZ-HOTGVXAUSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cc2c(Cl)ccnc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865185 721083511 /nfs/dbraw/zinc/08/35/11/721083511.db2.gz JLCFOWLQEXYGRA-JKSUJKDBSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865799 721087061 /nfs/dbraw/zinc/08/70/61/721087061.db2.gz PPCIWUNEWKVLOD-HOTGVXAUSA-N 0 3 430.339 3.811 20 0 IHADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874480 721162132 /nfs/dbraw/zinc/16/21/32/721162132.db2.gz KCCZMJPLFXIWFQ-OALUTQOASA-N 0 3 439.922 3.811 20 0 IHADHN CCN1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164876776 721329635 /nfs/dbraw/zinc/32/96/35/721329635.db2.gz QBRZGWAUFQBCMO-NHCUHLMSSA-N 0 3 445.571 3.944 20 0 IHADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900347 721512705 /nfs/dbraw/zinc/51/27/05/721512705.db2.gz QWAGGRNJGYSKHT-AEFFLSMTSA-N 0 3 433.911 3.701 20 0 IHADHN COCc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164897068 721514175 /nfs/dbraw/zinc/51/41/75/721514175.db2.gz DNHYSTOGWVGBDA-FYYLOGMGSA-N 0 3 434.515 3.771 20 0 IHADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911332 721539719 /nfs/dbraw/zinc/53/97/19/721539719.db2.gz WIBMMGZPTJMSRF-ICSRJNTNSA-N 0 3 446.954 3.698 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164912309 721549113 /nfs/dbraw/zinc/54/91/13/721549113.db2.gz YSGNMMYEZUQMAP-ICSRJNTNSA-N 0 3 437.519 3.910 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CCN3C2)c1 ZINC001164907540 721565198 /nfs/dbraw/zinc/56/51/98/721565198.db2.gz OERYKYKLIJEZQH-HKUYNNGSSA-N 0 3 425.895 3.673 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CCN3C2)c1 ZINC001164907541 721565727 /nfs/dbraw/zinc/56/57/27/721565727.db2.gz OERYKYKLIJEZQH-IEBWSBKVSA-N 0 3 425.895 3.673 20 0 IHADHN FC1(F)CCN(c2ccc(N3CCCCC3)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164903383 721583632 /nfs/dbraw/zinc/58/36/32/721583632.db2.gz MUKDXKXYEWSFAT-QFIPXVFZSA-N 0 3 428.531 3.600 20 0 IHADHN CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(C)c1 ZINC001164907016 721695948 /nfs/dbraw/zinc/69/59/48/721695948.db2.gz QGUKNHQGMQSTFM-QFIPXVFZSA-N 0 3 430.499 3.699 20 0 IHADHN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ncccc2CN2CCCC2)C3)n1 ZINC001164959684 722027774 /nfs/dbraw/zinc/02/77/74/722027774.db2.gz ICNWFAUQUGUYDL-AZGAKELHSA-N 0 3 436.600 3.973 20 0 IHADHN Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1C ZINC001164962191 722061076 /nfs/dbraw/zinc/06/10/76/722061076.db2.gz PMDTXEQAUZYUPU-UHFFFAOYSA-N 0 3 444.583 3.669 20 0 IHADHN Clc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164979359 722104191 /nfs/dbraw/zinc/10/41/91/722104191.db2.gz IFWNHMBYHODYKR-NFBKMPQASA-N 0 3 435.959 3.919 20 0 IHADHN Clc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978313 722111188 /nfs/dbraw/zinc/11/11/88/722111188.db2.gz OKNKCYJZTPUXSX-FCHUYYIVSA-N 0 3 449.986 3.843 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977966 722137274 /nfs/dbraw/zinc/13/72/74/722137274.db2.gz IYFICSFXAGTSBC-AZUAARDMSA-N 0 3 440.979 3.788 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979666 722137666 /nfs/dbraw/zinc/13/76/66/722137666.db2.gz LSDGEKKSBKTKQH-CTNGQTDRSA-N 0 3 439.560 3.551 20 0 IHADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983371 722142857 /nfs/dbraw/zinc/14/28/57/722142857.db2.gz USSITKPTZMIKJB-FXAWDEMLSA-N 0 3 449.933 3.675 20 0 IHADHN Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983274 722145961 /nfs/dbraw/zinc/14/59/61/722145961.db2.gz SXGIPLRESGPSRA-RCZVLFRGSA-N 0 3 429.568 3.883 20 0 IHADHN CCc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164977094 722146988 /nfs/dbraw/zinc/14/69/88/722146988.db2.gz IROJPPLRCFYWOQ-ZCYQVOJMSA-N 0 3 429.568 3.828 20 0 IHADHN c1ccc(CSc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164985452 722149463 /nfs/dbraw/zinc/14/94/63/722149463.db2.gz ZNJRUWMAGVCANO-PKTZIBPZSA-N 0 3 447.608 3.891 20 0 IHADHN Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971653 722153392 /nfs/dbraw/zinc/15/33/92/722153392.db2.gz CNHGMVMJGSEIKN-UXHICEINSA-N 0 3 429.996 3.759 20 0 IHADHN COc1ccccc1C[C@](C)(CO)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001203283594 1126158456 /nfs/dbraw/zinc/15/84/56/1126158456.db2.gz SWRUKNVAHIIHLD-OAQYLSRUSA-N 0 3 430.346 3.727 20 0 IHADHN OC[C@]1(NCc2ccc(Br)cn2)CCc2cc(Br)ccc2C1 ZINC001560532718 1126211863 /nfs/dbraw/zinc/21/18/63/1126211863.db2.gz UBNVDDJRERENSE-KRWDZBQOSA-N 0 3 426.152 3.616 20 0 IHADHN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000508368889 719236599 /nfs/dbraw/zinc/23/65/99/719236599.db2.gz CXZLZKHPHILPGH-ZWKOTPCHSA-N 0 3 437.613 3.719 20 0 IHADHN CN(Cc1ccc(N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)nc1)C1CC1 ZINC001164842484 720747188 /nfs/dbraw/zinc/74/71/88/720747188.db2.gz FKQQUNDTCMGLKZ-UHFFFAOYSA-N 0 3 447.608 3.668 20 0 IHADHN Fc1ccc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745253 720755985 /nfs/dbraw/zinc/75/59/85/720755985.db2.gz UJLUQCXINDVLSO-MSOLQXFVSA-N 0 3 448.527 3.629 20 0 IHADHN Fc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164737229 720765811 /nfs/dbraw/zinc/76/58/11/720765811.db2.gz BCULWHMLMMCIKL-WOJBJXKFSA-N 0 3 442.498 3.568 20 0 IHADHN CCn1nnc2c1CCN(c1ccc(CN(C)C3CC3)cn1)[C@H]2COCc1ccccc1 ZINC001164764002 721049288 /nfs/dbraw/zinc/04/92/88/721049288.db2.gz AHYPIKVKWHGSAH-QHCPKHFHSA-N 0 3 432.572 3.608 20 0 IHADHN Clc1cc(Cc2ccccc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866179 721121881 /nfs/dbraw/zinc/12/18/81/721121881.db2.gz RQWZKYPDXUBWMG-FGZHOGPDSA-N 0 3 435.959 3.596 20 0 IHADHN c1ccc(-c2nsc3c2ncnc3N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881156 721149147 /nfs/dbraw/zinc/14/91/47/721149147.db2.gz ZLALVLCBUQOESA-UXHICEINSA-N 0 3 444.564 3.628 20 0 IHADHN Cc1nc2sc3c(c2c(N2C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C2)n1)CCCCC3 ZINC001164762695 721202075 /nfs/dbraw/zinc/20/20/75/721202075.db2.gz DDKGXXMBMHLMKL-RTBURBONSA-N 0 3 436.629 3.960 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164762589 721222917 /nfs/dbraw/zinc/22/29/17/721222917.db2.gz CWMSIRPUTAKKCC-OALUTQOASA-N 0 3 447.568 3.552 20 0 IHADHN O=C(NC[C@H]1CCC[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)O1)c1ccccc1 ZINC001164879259 721259891 /nfs/dbraw/zinc/25/98/91/721259891.db2.gz XMLNRJFJNTZTDL-BVAGGSTKSA-N 0 3 434.584 3.625 20 0 IHADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906356 721539538 /nfs/dbraw/zinc/53/95/38/721539538.db2.gz KCDJRHVYGYKTHC-PKOBYXMFSA-N 0 3 446.954 3.744 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CCN3C2)c1 ZINC001164907542 721565478 /nfs/dbraw/zinc/56/54/78/721565478.db2.gz OERYKYKLIJEZQH-MJGOQNOKSA-N 0 3 425.895 3.673 20 0 IHADHN FC1(F)CCN(c2nnc(Cl)c3cccnc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904350 721704881 /nfs/dbraw/zinc/70/48/81/721704881.db2.gz CBWKETORZFOPMW-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN FC1(F)CCN(c2nccc(N3CCCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906504 721714231 /nfs/dbraw/zinc/71/42/31/721714231.db2.gz MLKWSWVHVGDKHX-QFIPXVFZSA-N 0 3 428.531 3.600 20 0 IHADHN FC1(F)CCN(c2nccc(N3CCCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906502 721714923 /nfs/dbraw/zinc/71/49/23/721714923.db2.gz MLKWSWVHVGDKHX-JOCHJYFZSA-N 0 3 428.531 3.600 20 0 IHADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccccn2)n1 ZINC001164904373 721722723 /nfs/dbraw/zinc/72/27/23/721722723.db2.gz CPPBXADMLWGSFA-QHCPKHFHSA-N 0 3 436.510 3.980 20 0 IHADHN CN(C)Cc1ccnc(N2C[C@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164911859 721742344 /nfs/dbraw/zinc/74/23/44/721742344.db2.gz LOMNRDSGQMAZPX-BVAGGSTKSA-N 0 3 427.552 3.565 20 0 IHADHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc(CN4CCCC4)cn2)C3)n1 ZINC001164964787 722027029 /nfs/dbraw/zinc/02/70/29/722027029.db2.gz YJHNEZQJKVTHJC-RSXGOPAZSA-N 0 3 436.600 3.973 20 0 IHADHN Fc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958221 722052537 /nfs/dbraw/zinc/05/25/37/722052537.db2.gz DZURRYCAROZZJI-UHFFFAOYSA-N 0 3 440.897 3.933 20 0 IHADHN Clc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164979892 722104109 /nfs/dbraw/zinc/10/41/09/722104109.db2.gz IFWNHMBYHODYKR-NZQKXSOJSA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cccc(Oc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985023 722131478 /nfs/dbraw/zinc/13/14/78/722131478.db2.gz YWWPWBLIUZNSSK-DENIHFKCSA-N 0 3 435.503 3.530 20 0 IHADHN Clc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164982264 722147239 /nfs/dbraw/zinc/14/72/39/722147239.db2.gz RLQJBLPANDMYBG-LEWJYISDSA-N 0 3 435.959 3.919 20 0 IHADHN COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)cc-2n1 ZINC001164995351 722198866 /nfs/dbraw/zinc/19/88/66/722198866.db2.gz UWPNNZFXAWVMOB-DEOSSOPVSA-N 0 3 438.503 3.742 20 0 IHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164725468 720392412 /nfs/dbraw/zinc/39/24/12/720392412.db2.gz NOLJDHQGSKKBAK-PKTZIBPZSA-N 0 3 428.515 3.867 20 0 IHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164727564 720434413 /nfs/dbraw/zinc/43/44/13/720434413.db2.gz DLSZXLFWXDTWLU-MSOLQXFVSA-N 0 3 437.569 3.733 20 0 IHADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727026 720455491 /nfs/dbraw/zinc/45/54/91/720455491.db2.gz CTVYDPWSOMAHIL-YADHBBJMSA-N 0 3 429.524 3.553 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164762590 721222766 /nfs/dbraw/zinc/22/27/66/721222766.db2.gz CWMSIRPUTAKKCC-RBUKOAKNSA-N 0 3 447.568 3.552 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CCN3C2)c1 ZINC001164897193 721526005 /nfs/dbraw/zinc/52/60/05/721526005.db2.gz FIWCRIZQKCXONP-HKUYNNGSSA-N 0 3 425.895 3.673 20 0 IHADHN COc1cccc(Oc2cncc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164907294 721546348 /nfs/dbraw/zinc/54/63/48/721546348.db2.gz MWFPAXJNOMEYRC-AVRDEDQJSA-N 0 3 436.487 3.759 20 0 IHADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905821 721547387 /nfs/dbraw/zinc/54/73/87/721547387.db2.gz IPJQQQMTVUBOOV-FYYLOGMGSA-N 0 3 433.531 3.691 20 0 IHADHN Cc1noc(-c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2)n1 ZINC001164913865 721727064 /nfs/dbraw/zinc/72/70/64/721727064.db2.gz ZBLOSORGEWRGPP-OAQYLSRUSA-N 0 3 426.471 3.573 20 0 IHADHN CC(C)(C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164960657 722058860 /nfs/dbraw/zinc/05/88/60/722058860.db2.gz GDKOOSASWMPECO-UHFFFAOYSA-N 0 3 434.588 3.769 20 0 IHADHN COc1cc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2cc1F ZINC001164964673 722061801 /nfs/dbraw/zinc/06/18/01/722061801.db2.gz HSTLCCNUPNBPOQ-UHFFFAOYSA-N 0 3 436.531 3.897 20 0 IHADHN Clc1cc(-c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)ccn1 ZINC001164986560 722107222 /nfs/dbraw/zinc/10/72/22/722107222.db2.gz ZHJGNTFBTZTLPW-FGZHOGPDSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978316 722111070 /nfs/dbraw/zinc/11/10/70/722111070.db2.gz OKNKCYJZTPUXSX-FGZHOGPDSA-N 0 3 449.986 3.843 20 0 IHADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CCCCC2 ZINC001164976657 722113382 /nfs/dbraw/zinc/11/33/82/722113382.db2.gz MAYVNGBLVUVWHL-GHTZIAJQSA-N 0 3 427.980 3.521 20 0 IHADHN Fc1cc2ncnc(Cl)c2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982188 722135492 /nfs/dbraw/zinc/13/54/92/722135492.db2.gz RIMKNBJCUFJTFL-JXFKEZNVSA-N 0 3 427.911 3.545 20 0 IHADHN Clc1cccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164984964 722144883 /nfs/dbraw/zinc/14/48/83/722144883.db2.gz YMBDYVNLJIMDNJ-REWPJTCUSA-N 0 3 435.959 3.919 20 0 IHADHN CCc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164977093 722147077 /nfs/dbraw/zinc/14/70/77/722147077.db2.gz IROJPPLRCFYWOQ-UKILVPOCSA-N 0 3 429.568 3.828 20 0 IHADHN Fc1cccc(F)c1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973103 722147088 /nfs/dbraw/zinc/14/70/88/722147088.db2.gz AYAHOKARESBWEU-PGRDOPGGSA-N 0 3 437.494 3.544 20 0 IHADHN Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971649 722153592 /nfs/dbraw/zinc/15/35/92/722153592.db2.gz CNHGMVMJGSEIKN-PMACEKPBSA-N 0 3 429.996 3.759 20 0 IHADHN FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972574 722156268 /nfs/dbraw/zinc/15/62/68/722156268.db2.gz INBNXMCXPFFSKZ-AEFFLSMTSA-N 0 3 440.947 3.995 20 0 IHADHN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975297 722159031 /nfs/dbraw/zinc/15/90/31/722159031.db2.gz RPQGSBXPHICOFZ-UTKZUKDTSA-N 0 3 448.945 3.891 20 0 IHADHN Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(CN(C)C4CC4)cn2)CC3)cs1 ZINC001165006989 722273135 /nfs/dbraw/zinc/27/31/35/722273135.db2.gz SHYZFPRZPXTTQR-NRFANRHFSA-N 0 3 428.602 3.785 20 0 IHADHN CN(C)Cc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2c1OC(F)(F)O2 ZINC001200425793 1126156259 /nfs/dbraw/zinc/15/62/59/1126156259.db2.gz XRKBXGRYBSCGNE-VQIMIIECSA-N 0 3 446.416 3.694 20 0 IHADHN COC(=O)c1ccc(Cl)c(CN[C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001308119323 1126164330 /nfs/dbraw/zinc/16/43/30/1126164330.db2.gz ZUSHIRRBJJLOCS-LJQANCHMSA-N 0 3 426.738 3.972 20 0 IHADHN Cc1nn(C)c2nc(Cl)c(CN[C@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001308465450 1126166247 /nfs/dbraw/zinc/16/62/47/1126166247.db2.gz WRTCDDNFPHFIJM-HXUWFJFHSA-N 0 3 449.780 3.702 20 0 IHADHN COCO[C@@H](C)c1cc(F)c(CN[C@@H](CO)Cc2ccc(O)cc2)cc1Br ZINC001308688181 1126168323 /nfs/dbraw/zinc/16/83/23/1126168323.db2.gz VHAPAKJBWYEBLW-XJKSGUPXSA-N 0 3 442.325 3.669 20 0 IHADHN COCO[C@@H](C)c1cc(F)c(CN[C@H](CO)Cc2ccccc2)cc1Br ZINC001474116388 1126201883 /nfs/dbraw/zinc/20/18/83/1126201883.db2.gz SBBWCHYVGUANDR-YOEHRIQHSA-N 0 3 426.326 3.963 20 0 IHADHN COc1ccc(C[C@](C)(CO)NCc2ccnc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623915 1126241400 /nfs/dbraw/zinc/24/14/00/1126241400.db2.gz KGNAEZCXOWRDKD-JOCHJYFZSA-N 0 3 442.357 3.998 20 0 IHADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)N(C)C[C@H]3C)c2c1C ZINC001164637179 719237747 /nfs/dbraw/zinc/23/77/47/719237747.db2.gz UMISKNYKRVDHMJ-HZPDHXFCSA-N 0 3 445.633 3.691 20 0 IHADHN CC(C)N(C)Cc1nn([C@@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CCNC2 ZINC001164680227 719644878 /nfs/dbraw/zinc/64/48/78/719644878.db2.gz SOSFXEBQMRUJQX-JOCHJYFZSA-N 0 3 444.942 3.984 20 0 IHADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)[nH]cc1-2 ZINC001164696891 719897077 /nfs/dbraw/zinc/89/70/77/719897077.db2.gz IFNHJRSBOXIPCN-UHFFFAOYSA-N 0 3 440.569 3.673 20 0 IHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164730267 720427878 /nfs/dbraw/zinc/42/78/78/720427878.db2.gz JDQKWXHBKRPKCX-PMACEKPBSA-N 0 3 437.931 3.708 20 0 IHADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866722 721079080 /nfs/dbraw/zinc/07/90/80/721079080.db2.gz UTCMFFNJPXYZCZ-JKSUJKDBSA-N 0 3 430.339 3.811 20 0 IHADHN c1ccc(-c2nsc3c2ncnc3N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164881154 721150135 /nfs/dbraw/zinc/15/01/35/721150135.db2.gz ZLALVLCBUQOESA-PMACEKPBSA-N 0 3 444.564 3.628 20 0 IHADHN c1ccc(CSc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164871555 721167115 /nfs/dbraw/zinc/16/71/15/721167115.db2.gz FGRSZTUIXAKXNV-VXKWHMMOSA-N 0 3 433.581 3.644 20 0 IHADHN O=C(NC[C@H]1CCC[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878742 721258935 /nfs/dbraw/zinc/25/89/35/721258935.db2.gz VEWBSPJCSNWWDQ-ZEQKJWHPSA-N 0 3 434.584 3.625 20 0 IHADHN O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878741 721259152 /nfs/dbraw/zinc/25/91/52/721259152.db2.gz VEWBSPJCSNWWDQ-OZXSUGGESA-N 0 3 434.584 3.625 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CCN3C2)c1 ZINC001164897204 721525821 /nfs/dbraw/zinc/52/58/21/721525821.db2.gz FIWCRIZQKCXONP-PKOBYXMFSA-N 0 3 425.895 3.673 20 0 IHADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)s1 ZINC001164903595 721562145 /nfs/dbraw/zinc/56/21/45/721562145.db2.gz CWSXVIKLUDOFCG-HKUYNNGSSA-N 0 3 425.533 3.698 20 0 IHADHN CN(C)Cc1ccnc(N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 ZINC001164803845 721605717 /nfs/dbraw/zinc/60/57/17/721605717.db2.gz WNZNEVIMMPNJLU-QFIPXVFZSA-N 0 3 427.936 3.551 20 0 IHADHN COc1ccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908366 721693232 /nfs/dbraw/zinc/69/32/32/721693232.db2.gz YOAUPBJWSLCXCL-JOCHJYFZSA-N 0 3 425.483 3.771 20 0 IHADHN CCOC(=O)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1C ZINC001164904159 721708755 /nfs/dbraw/zinc/70/87/55/721708755.db2.gz AIQPFZPBOVBHCQ-JOCHJYFZSA-N 0 3 430.499 3.699 20 0 IHADHN COC(=O)/C=C/c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904358 721717526 /nfs/dbraw/zinc/71/75/26/721717526.db2.gz CGNDNICNAYLQRP-BMOUEYTDSA-N 0 3 442.510 3.709 20 0 IHADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956043 722020787 /nfs/dbraw/zinc/02/07/87/722020787.db2.gz VAISRCQOXBQUTB-UHFFFAOYSA-N 0 3 425.936 3.851 20 0 IHADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956043 722020789 /nfs/dbraw/zinc/02/07/89/722020789.db2.gz VAISRCQOXBQUTB-UHFFFAOYSA-N 0 3 425.936 3.851 20 0 IHADHN COc1cc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2cc1OC ZINC001164964077 722057153 /nfs/dbraw/zinc/05/71/53/722057153.db2.gz RGJUXEHQNAZSKM-UHFFFAOYSA-N 0 3 448.567 3.766 20 0 IHADHN C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)C1 ZINC001164978213 722115501 /nfs/dbraw/zinc/11/55/01/722115501.db2.gz NVSOQPZQFJSOOP-YFVAEKQCSA-N 0 3 449.624 3.938 20 0 IHADHN C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c23)C1 ZINC001164978211 722115700 /nfs/dbraw/zinc/11/57/00/722115700.db2.gz NVSOQPZQFJSOOP-SLYNCCJLSA-N 0 3 449.624 3.938 20 0 IHADHN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974384 722134797 /nfs/dbraw/zinc/13/47/97/722134797.db2.gz DMCZWNMMXHZSSR-QZTJIDSGSA-N 0 3 447.917 3.884 20 0 IHADHN Fc1cc2ncnc(Cl)c2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982194 722135978 /nfs/dbraw/zinc/13/59/78/722135978.db2.gz RIMKNBJCUFJTFL-OXJNMPFZSA-N 0 3 427.911 3.545 20 0 IHADHN Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971712 722154178 /nfs/dbraw/zinc/15/41/78/722154178.db2.gz DIUWGJXHQILCEF-XUZZJYLKSA-N 0 3 433.531 3.713 20 0 IHADHN FC(F)(N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975271 722157263 /nfs/dbraw/zinc/15/72/63/722157263.db2.gz QSBKRLHQQIJHCI-ICSRJNTNSA-N 0 3 448.945 3.977 20 0 IHADHN Cc1cc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)ncc1Br ZINC001203283855 1126158389 /nfs/dbraw/zinc/15/83/89/1126158389.db2.gz WFFAEPVXHRYFIS-QGZVFWFLSA-N 0 3 428.168 3.998 20 0 IHADHN COc1ccc(C[C@@](C)(CO)NCc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC001308514641 1126167778 /nfs/dbraw/zinc/16/77/78/1126167778.db2.gz VSYDVCAHKNCCFK-NRFANRHFSA-N 0 3 430.346 3.931 20 0 IHADHN COc1ccc(OC[C@@H](O)CN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000038309272 563097355 /nfs/dbraw/zinc/09/73/55/563097355.db2.gz WLSUHIWUCZVUGX-KRWDZBQOSA-N 0 3 425.447 3.997 20 0 IHADHN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164389144 718826500 /nfs/dbraw/zinc/82/65/00/718826500.db2.gz GVUFBUZYEQNDMZ-HOCLYGCPSA-N 0 3 448.823 3.928 20 0 IHADHN CN(Cc1ccc(N2CCO[C@H](c3ncn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416308 718891266 /nfs/dbraw/zinc/89/12/66/718891266.db2.gz DFZPFDULDJBAPB-SFHVURJKSA-N 0 3 442.361 3.664 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(OC)nc3Cl)CC2)CC1 ZINC001164614654 719026017 /nfs/dbraw/zinc/02/60/17/719026017.db2.gz WFNUHVVIHSULKF-UHFFFAOYSA-N 0 3 431.911 3.532 20 0 IHADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)N(C)C[C@@H]3C)c2c1C ZINC001164637166 719237219 /nfs/dbraw/zinc/23/72/19/719237219.db2.gz UMISKNYKRVDHMJ-CVEARBPZSA-N 0 3 445.633 3.691 20 0 IHADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc([Si](C)(C)C)c(Cl)n2)c2c1CCNC2 ZINC001164681291 719631841 /nfs/dbraw/zinc/63/18/41/719631841.db2.gz GAFSRLIZGJOQFI-UHFFFAOYSA-N 0 3 442.030 3.560 20 0 IHADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749215 720787144 /nfs/dbraw/zinc/78/71/44/720787144.db2.gz SEKOERJYIPBKIM-QZTJIDSGSA-N 0 3 436.947 3.546 20 0 IHADHN CCn1nnc2c1CCN(c1ccc(CN3CCCC3)cn1)[C@H]2COCc1ccccc1 ZINC001164765188 721049235 /nfs/dbraw/zinc/04/92/35/721049235.db2.gz CFZXFVFFOCHWMY-QHCPKHFHSA-N 0 3 432.572 3.609 20 0 IHADHN Clc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1Cl ZINC001164866175 721118777 /nfs/dbraw/zinc/11/87/77/721118777.db2.gz RPYZIWWIKVYXQE-HOTGVXAUSA-N 0 3 430.339 3.811 20 0 IHADHN c1ccc(-c2nsc3c2ncnc3N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164881158 721148777 /nfs/dbraw/zinc/14/87/77/721148777.db2.gz ZLALVLCBUQOESA-VQTJNVASSA-N 0 3 444.564 3.628 20 0 IHADHN c1ccc(-c2nsc3c2ncnc3N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164881160 721148864 /nfs/dbraw/zinc/14/88/64/721148864.db2.gz ZLALVLCBUQOESA-WOJBJXKFSA-N 0 3 444.564 3.628 20 0 IHADHN O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)O1)c1ccccc1 ZINC001164879261 721259853 /nfs/dbraw/zinc/25/98/53/721259853.db2.gz XMLNRJFJNTZTDL-OZXSUGGESA-N 0 3 434.584 3.625 20 0 IHADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892874 721395706 /nfs/dbraw/zinc/39/57/06/721395706.db2.gz UFCZJDYADMWXOK-URXFXBBRSA-N 0 3 442.007 3.562 20 0 IHADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900350 721512939 /nfs/dbraw/zinc/51/29/39/721512939.db2.gz QWAGGRNJGYSKHT-WMZOPIPTSA-N 0 3 433.911 3.701 20 0 IHADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911336 721539746 /nfs/dbraw/zinc/53/97/46/721539746.db2.gz WIBMMGZPTJMSRF-UYAOXDASSA-N 0 3 446.954 3.698 20 0 IHADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909266 721546163 /nfs/dbraw/zinc/54/61/63/721546163.db2.gz RCMIDUCICNYHMF-WBVHZDCISA-N 0 3 430.915 3.542 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164909641 721560754 /nfs/dbraw/zinc/56/07/54/721560754.db2.gz UMHGQWCYJUIWJW-CTNGQTDRSA-N 0 3 431.515 3.508 20 0 IHADHN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905959 721582913 /nfs/dbraw/zinc/58/29/13/721582913.db2.gz YDNUZVDRAVPMCX-JOCHJYFZSA-N 0 3 428.531 3.518 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3cnccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904844 721696772 /nfs/dbraw/zinc/69/67/72/721696772.db2.gz GWXAZTKLRFJYKD-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN CC1CCN(c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164909803 721725988 /nfs/dbraw/zinc/72/59/88/721725988.db2.gz DSKNNCGFPSTVTE-HSZRJFAPSA-N 0 3 442.558 3.846 20 0 IHADHN CN(C)Cc1ccnc(N2C[C@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164912109 721742595 /nfs/dbraw/zinc/74/25/95/721742595.db2.gz LOMNRDSGQMAZPX-ZEQKJWHPSA-N 0 3 427.552 3.565 20 0 IHADHN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)cc(N3CCCC3)n2)CC1 ZINC001165016238 721837821 /nfs/dbraw/zinc/83/78/21/721837821.db2.gz AJSJQIHQIAJXQU-UHFFFAOYSA-N 0 3 425.577 3.503 20 0 IHADHN CCOC(=O)c1cc2ccc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)[nH]c-2n1 ZINC001164939692 721929145 /nfs/dbraw/zinc/92/91/45/721929145.db2.gz OTPKULUQHIUNAI-UHFFFAOYSA-N 0 3 448.567 3.919 20 0 IHADHN CCOC(=O)c1cc2ccc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nc2[nH]1 ZINC001164939692 721929150 /nfs/dbraw/zinc/92/91/50/721929150.db2.gz OTPKULUQHIUNAI-UHFFFAOYSA-N 0 3 448.567 3.919 20 0 IHADHN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ncccc2CN2CCCC2)C3)n1 ZINC001164959680 722027711 /nfs/dbraw/zinc/02/77/11/722027711.db2.gz ICNWFAUQUGUYDL-AOYPEHQESA-N 0 3 436.600 3.973 20 0 IHADHN Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980721 722102010 /nfs/dbraw/zinc/10/20/10/722102010.db2.gz JYXBNKNZRYQTQY-WBVHZDCISA-N 0 3 426.870 3.541 20 0 IHADHN Fc1cccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979087 722112247 /nfs/dbraw/zinc/11/22/47/722112247.db2.gz OVEZCMFCTBVJKU-VQIMIIECSA-N 0 3 427.911 3.545 20 0 IHADHN Fc1cccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979077 722112326 /nfs/dbraw/zinc/11/23/26/722112326.db2.gz OVEZCMFCTBVJKU-APWZRJJASA-N 0 3 427.911 3.545 20 0 IHADHN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974386 722135217 /nfs/dbraw/zinc/13/52/17/722135217.db2.gz DMCZWNMMXHZSSR-ROUUACIJSA-N 0 3 447.917 3.884 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979671 722137541 /nfs/dbraw/zinc/13/75/41/722137541.db2.gz LSDGEKKSBKTKQH-TZIWHRDSSA-N 0 3 439.560 3.551 20 0 IHADHN CCN(c1ccccc1)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164973171 722149572 /nfs/dbraw/zinc/14/95/72/722149572.db2.gz BIZWWDOPEXKWFK-ISKFKSNPSA-N 0 3 444.583 3.757 20 0 IHADHN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975296 722158741 /nfs/dbraw/zinc/15/87/41/722158741.db2.gz RPQGSBXPHICOFZ-LAUBAEHRSA-N 0 3 448.945 3.891 20 0 IHADHN COc1ccc(C[C@@](C)(CO)NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1OC ZINC001179520219 1126152513 /nfs/dbraw/zinc/15/25/13/1126152513.db2.gz IEONXMFJPCCXQT-NRFANRHFSA-N 0 3 437.462 3.693 20 0 IHADHN COCO[C@H](C)c1cc(F)c(CN[C@@H](CO)Cc2ccc(O)cc2)cc1Br ZINC001308688180 1126168319 /nfs/dbraw/zinc/16/83/19/1126168319.db2.gz VHAPAKJBWYEBLW-CZUORRHYSA-N 0 3 442.325 3.669 20 0 IHADHN CN1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000038845964 563098541 /nfs/dbraw/zinc/09/85/41/563098541.db2.gz ACVRIGSOUNTLCT-GFCCVEGCSA-N 0 3 428.373 3.783 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1nc(C)c(Cc3ccc(Cl)cc3)c(C)n1)CC2 ZINC001164689357 719752563 /nfs/dbraw/zinc/75/25/63/719752563.db2.gz CMIVHHIOQJTHMP-UHFFFAOYSA-N 0 3 442.007 3.518 20 0 IHADHN Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2n1 ZINC001164725224 720355739 /nfs/dbraw/zinc/35/57/39/720355739.db2.gz MSHGLBFQCUYKJQ-NEPJUHHUSA-N 0 3 436.734 3.628 20 0 IHADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727017 720455854 /nfs/dbraw/zinc/45/58/54/720455854.db2.gz CTVYDPWSOMAHIL-FGZHOGPDSA-N 0 3 429.524 3.553 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164745798 720725775 /nfs/dbraw/zinc/72/57/75/720725775.db2.gz VTJZSGCWVLIBEY-RTWAWAEBSA-N 0 3 438.535 3.737 20 0 IHADHN Fc1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746356 720763136 /nfs/dbraw/zinc/76/31/36/720763136.db2.gz XPXWLURRYHHMPE-VQTJNVASSA-N 0 3 442.498 3.568 20 0 IHADHN Fc1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746348 720763272 /nfs/dbraw/zinc/76/32/72/720763272.db2.gz XPXWLURRYHHMPE-PMACEKPBSA-N 0 3 442.498 3.568 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)s1 ZINC001164745411 720774522 /nfs/dbraw/zinc/77/45/22/720774522.db2.gz VRUPFWWDWBOYSG-MSOLQXFVSA-N 0 3 444.564 3.799 20 0 IHADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869529 721043852 /nfs/dbraw/zinc/04/38/52/721043852.db2.gz UCTAUAXDWMJEAQ-IAGOWNOFSA-N 0 3 430.339 3.811 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880316 721133103 /nfs/dbraw/zinc/13/31/03/721133103.db2.gz VWBZLYHESDFLIN-MSOLQXFVSA-N 0 3 426.952 3.540 20 0 IHADHN Fc1ccc(COc2cccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164874559 721161308 /nfs/dbraw/zinc/16/13/08/721161308.db2.gz KQXXJFXNHQWYCD-DHIUTWEWSA-N 0 3 434.515 3.674 20 0 IHADHN c1ccc(CSc2cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164871556 721166668 /nfs/dbraw/zinc/16/66/68/721166668.db2.gz FGRSZTUIXAKXNV-YADHBBJMSA-N 0 3 433.581 3.644 20 0 IHADHN c1ccc(SCc2nccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164870978 721183338 /nfs/dbraw/zinc/18/33/38/721183338.db2.gz CTYWMZFSHKBOOD-RTWAWAEBSA-N 0 3 433.581 3.644 20 0 IHADHN Cc1nc2sc3c(c2c(N2C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C2)n1)CCCCC3 ZINC001164762689 721201350 /nfs/dbraw/zinc/20/13/50/721201350.db2.gz DDKGXXMBMHLMKL-OALUTQOASA-N 0 3 436.629 3.960 20 0 IHADHN COc1ccc2c(ccnc2N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777735 721340640 /nfs/dbraw/zinc/34/06/40/721340640.db2.gz HQXFVCPNXGXHMS-RUZDIDTESA-N 0 3 436.556 3.967 20 0 IHADHN Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164897704 721430026 /nfs/dbraw/zinc/43/00/26/721430026.db2.gz UNCGACTXXQSEBV-DHLKQENFSA-N 0 3 427.637 3.598 20 0 IHADHN CNC(=O)N[C@H]1CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccc(C)cc21 ZINC001164898843 721492439 /nfs/dbraw/zinc/49/24/39/721492439.db2.gz IIPFPEBDKPINEG-QHCPKHFHSA-N 0 3 433.600 3.898 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CCN3C2)c1 ZINC001164901040 721525575 /nfs/dbraw/zinc/52/55/75/721525575.db2.gz WDQNNLYGJRGUND-SJLPKXTDSA-N 0 3 432.590 3.826 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CCN3C2)c1 ZINC001164897196 721526488 /nfs/dbraw/zinc/52/64/88/721526488.db2.gz FIWCRIZQKCXONP-IEBWSBKVSA-N 0 3 425.895 3.673 20 0 IHADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908326 721538095 /nfs/dbraw/zinc/53/80/95/721538095.db2.gz PTKNJVMBTOMTJW-NVXWUHKLSA-N 0 3 428.895 3.773 20 0 IHADHN CCOC(=O)/C=C/c1cccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906615 721585259 /nfs/dbraw/zinc/58/52/59/721585259.db2.gz NQKDCKGLKBTEJS-YVSHKSEASA-N 0 3 442.510 3.791 20 0 IHADHN COC(=O)/C=C\c1cc(C)cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904359 721719310 /nfs/dbraw/zinc/71/93/10/721719310.db2.gz CGNDNICNAYLQRP-FUMRIQNTSA-N 0 3 442.510 3.709 20 0 IHADHN C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913078 721732095 /nfs/dbraw/zinc/73/20/95/721732095.db2.gz SFSRCMSPARMSFT-WMZHIEFXSA-N 0 3 442.558 3.846 20 0 IHADHN Fc1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164961187 722053470 /nfs/dbraw/zinc/05/34/70/722053470.db2.gz UUBGPBLODTXSCH-UHFFFAOYSA-N 0 3 440.897 3.933 20 0 IHADHN COc1cc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2cc1OC ZINC001164963853 722056942 /nfs/dbraw/zinc/05/69/42/722056942.db2.gz ODYBZIOWDZEEER-UHFFFAOYSA-N 0 3 448.567 3.766 20 0 IHADHN CSc1nc2sccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986239 722103495 /nfs/dbraw/zinc/10/34/95/722103495.db2.gz YNVOYPNEVHIZJZ-AEFFLSMTSA-N 0 3 427.599 3.536 20 0 IHADHN Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974085 722115345 /nfs/dbraw/zinc/11/53/45/722115345.db2.gz ILADKVDEGPLJTI-WBVHZDCISA-N 0 3 426.870 3.541 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979669 722137811 /nfs/dbraw/zinc/13/78/11/722137811.db2.gz LSDGEKKSBKTKQH-PZJWPPBQSA-N 0 3 439.560 3.551 20 0 IHADHN Cc1nc2sc3c(c2c(N2CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C2)n1)CCC3 ZINC001164983810 722138644 /nfs/dbraw/zinc/13/86/44/722138644.db2.gz VFBVSARZKJGMSB-UYAOXDASSA-N 0 3 435.597 3.611 20 0 IHADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977008 722140157 /nfs/dbraw/zinc/14/01/57/722140157.db2.gz HNLZJEPFTVWVPC-MOPGFXCFSA-N 0 3 429.996 3.858 20 0 IHADHN Fc1ccc(COc2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164983798 722146949 /nfs/dbraw/zinc/14/69/49/722146949.db2.gz UXZKQHOMRKTZCY-WIOPSUGQSA-N 0 3 448.542 3.922 20 0 IHADHN c1ccc(CSc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164985455 722149603 /nfs/dbraw/zinc/14/96/03/722149603.db2.gz ZNJRUWMAGVCANO-XZOQPEGZSA-N 0 3 447.608 3.891 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974670 722152553 /nfs/dbraw/zinc/15/25/53/722152553.db2.gz OUBSCWIHZBQOLD-UZLBHIALSA-N 0 3 443.473 3.829 20 0 IHADHN COCO[C@H](C)c1cc(F)c(CN[C@H](CO)Cc2ccccc2)cc1Br ZINC001474116387 1126201880 /nfs/dbraw/zinc/20/18/80/1126201880.db2.gz SBBWCHYVGUANDR-PBHICJAKSA-N 0 3 426.326 3.963 20 0 IHADHN O[C@@H]([C@@H](Cc1ccccc1)NCc1cccc(I)c1)C(F)(F)F ZINC001620789951 1126242770 /nfs/dbraw/zinc/24/27/70/1126242770.db2.gz PBRDIIDYCYJUHJ-CVEARBPZSA-N 0 3 435.227 3.915 20 0 IHADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)N(C)C[C@@H]3C)c2c1C ZINC001164637175 719237275 /nfs/dbraw/zinc/23/72/75/719237275.db2.gz UMISKNYKRVDHMJ-HOTGVXAUSA-N 0 3 445.633 3.691 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1ncnc3sc(C)c(-c4ccccc4)c31)CC2 ZINC001164690040 719743562 /nfs/dbraw/zinc/74/35/62/719743562.db2.gz QKYSMVGGOHBIAV-UHFFFAOYSA-N 0 3 435.597 3.848 20 0 IHADHN CCc1ccc(Oc2nc(Cl)ncc2N2CCC3(CCCN3CC(=O)NC)CC2)cc1 ZINC001164689316 719756398 /nfs/dbraw/zinc/75/63/98/719756398.db2.gz APGJGMYEQMTFEO-UHFFFAOYSA-N 0 3 443.979 3.666 20 0 IHADHN COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723859 720366448 /nfs/dbraw/zinc/36/64/48/720366448.db2.gz HTGXYZLKCPEWJR-QZTJIDSGSA-N 0 3 425.920 3.549 20 0 IHADHN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164726370 720495348 /nfs/dbraw/zinc/49/53/48/720495348.db2.gz LMPNLYGSCYVYFY-PXDATVDWSA-N 0 3 440.563 3.541 20 0 IHADHN CN(Cc1ccc(N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730192 720497013 /nfs/dbraw/zinc/49/70/13/720497013.db2.gz SSORTUNUFNGNSY-NLFFAJNJSA-N 0 3 440.563 3.539 20 0 IHADHN CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164835155 720584066 /nfs/dbraw/zinc/58/40/66/720584066.db2.gz AEIHOZZGMVIGAS-ILXRZTDVSA-N 0 3 442.967 3.538 20 0 IHADHN CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164835155 720584082 /nfs/dbraw/zinc/58/40/82/720584082.db2.gz AEIHOZZGMVIGAS-ILXRZTDVSA-N 0 3 442.967 3.538 20 0 IHADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741814 720727193 /nfs/dbraw/zinc/72/71/93/720727193.db2.gz NBNGMRZMLYAGCX-ZIAGYGMSSA-N 0 3 446.338 3.682 20 0 IHADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741810 720727498 /nfs/dbraw/zinc/72/74/98/720727498.db2.gz NBNGMRZMLYAGCX-KGLIPLIRSA-N 0 3 446.338 3.682 20 0 IHADHN Fc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164737228 720764406 /nfs/dbraw/zinc/76/44/06/720764406.db2.gz BCULWHMLMMCIKL-VQTJNVASSA-N 0 3 442.498 3.568 20 0 IHADHN Clc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864928 721087866 /nfs/dbraw/zinc/08/78/66/721087866.db2.gz HNVODNLBIWBOPR-IRXDYDNUSA-N 0 3 430.339 3.811 20 0 IHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164881099 721159571 /nfs/dbraw/zinc/15/95/71/721159571.db2.gz ZASNMXSUKKBVHO-VQTJNVASSA-N 0 3 439.922 3.811 20 0 IHADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892875 721395161 /nfs/dbraw/zinc/39/51/61/721395161.db2.gz UFCZJDYADMWXOK-XUZZJYLKSA-N 0 3 442.007 3.562 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CCN3C2)c1 ZINC001164911496 721552030 /nfs/dbraw/zinc/55/20/30/721552030.db2.gz ZHCVTQHUSBKLJY-DZGCQCFKSA-N 0 3 434.302 3.813 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3ncccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904895 721587598 /nfs/dbraw/zinc/58/75/98/721587598.db2.gz HNLLXKCTFKFRNE-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN FC1(F)CCN(c2ncnc3nc(Cl)ccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904935 721692224 /nfs/dbraw/zinc/69/22/24/721692224.db2.gz HTCBVXOUXYZXTL-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3cccnc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907924 721692762 /nfs/dbraw/zinc/69/27/62/721692762.db2.gz WOWSNHZTGOEUGJ-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN CC(C)(C)NC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164906041 721705376 /nfs/dbraw/zinc/70/53/76/721705376.db2.gz JNATZANOLXTDNB-HSZRJFAPSA-N 0 3 443.542 3.743 20 0 IHADHN COC(=O)/C=C\c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904360 721718481 /nfs/dbraw/zinc/71/84/81/721718481.db2.gz CGNDNICNAYLQRP-KSEXMQBYSA-N 0 3 442.510 3.709 20 0 IHADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)[nH]cc1-2 ZINC001164938623 721930714 /nfs/dbraw/zinc/93/07/14/721930714.db2.gz BEZKMJFXESKTMI-UHFFFAOYSA-N 0 3 448.567 3.919 20 0 IHADHN Cc1cncc(COCc2cnc3n2CCN(c2ccc(CN4CCCC4)cn2)[C@@H]3C)c1 ZINC001164966438 722063542 /nfs/dbraw/zinc/06/35/42/722063542.db2.gz SVWINTRVADWZLO-HXUWFJFHSA-N 0 3 432.572 3.875 20 0 IHADHN Cc1cncc(COCc2cnc3n2CCN(c2ncccc2CN2CCCC2)[C@H]3C)c1 ZINC001164962888 722063553 /nfs/dbraw/zinc/06/35/53/722063553.db2.gz AOQIVWLMTDXONQ-FQEVSTJZSA-N 0 3 432.572 3.875 20 0 IHADHN Fc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977175 722104378 /nfs/dbraw/zinc/10/43/78/722104378.db2.gz DVRMVTTUIDYYNC-RDJZCZTQSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1cccc(-c2cccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164983237 722119062 /nfs/dbraw/zinc/11/90/62/722119062.db2.gz YRMBKHAGSYDUTJ-KNQAVFIVSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1ccc2[nH]c3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c3c2c1 ZINC001164976988 722137282 /nfs/dbraw/zinc/13/72/82/722137282.db2.gz HMJZJZOPCKHAFF-UWJYYQICSA-N 0 3 448.958 3.887 20 0 IHADHN Cc1nc2sc3c(c2c(N2CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C2)n1)CCC3 ZINC001164983809 722138622 /nfs/dbraw/zinc/13/86/22/722138622.db2.gz VFBVSARZKJGMSB-QUCCMNQESA-N 0 3 435.597 3.611 20 0 IHADHN c1ccc(COc2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164980358 722138677 /nfs/dbraw/zinc/13/86/77/722138677.db2.gz NEWMOPWEBAHPAD-NOZRDPDXSA-N 0 3 430.552 3.783 20 0 IHADHN Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971707 722153980 /nfs/dbraw/zinc/15/39/80/722153980.db2.gz DIUWGJXHQILCEF-QPPBQGQZSA-N 0 3 433.531 3.713 20 0 IHADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@@]5(CCN5Cc5cccc(F)c5)C4)c3)cc21 ZINC001164994732 722199324 /nfs/dbraw/zinc/19/93/24/722199324.db2.gz PMLGQYXTGJTSMJ-AREMUKBSSA-N 0 3 445.542 3.747 20 0 IHADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164994403 722207066 /nfs/dbraw/zinc/20/70/66/722207066.db2.gz GDVNMDVACUQPRJ-JOCHJYFZSA-N 0 3 443.910 3.782 20 0 IHADHN Cc1nn(C)c2nc(Cl)c(CN[C@@](C)(CO)Cc3ccc(Br)cc3)cc12 ZINC001179277154 1126151680 /nfs/dbraw/zinc/15/16/80/1126151680.db2.gz AOMIOHCYVVFERQ-LJQANCHMSA-N 0 3 437.769 3.776 20 0 IHADHN Cc1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)ncc1Br ZINC001203118856 1126157601 /nfs/dbraw/zinc/15/76/01/1126157601.db2.gz NKCCVGVMINAXBV-GOSISDBHSA-N 0 3 440.179 3.925 20 0 IHADHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN[C@@](C)(CO)Cc3ccc(F)cc3)o2)CC1 ZINC001621022543 1126244702 /nfs/dbraw/zinc/24/47/02/1126244702.db2.gz AOPGGAVINIZZNI-XMMPIXPASA-N 0 3 447.551 3.559 20 0 IHADHN c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4NCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164389460 718824590 /nfs/dbraw/zinc/82/45/90/718824590.db2.gz IOJWXDRHDPGVKC-SFTDATJTSA-N 0 3 449.624 3.911 20 0 IHADHN CN(C)Cc1ccnc(N2CCC3(CC[C@H](OCC(=O)N(C)C)c4ccccc43)CC2)c1 ZINC001164635296 719140047 /nfs/dbraw/zinc/14/00/47/719140047.db2.gz WVXMRQBRUCHIGS-QHCPKHFHSA-N 0 3 436.600 3.621 20 0 IHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164726735 720351421 /nfs/dbraw/zinc/35/14/21/720351421.db2.gz ROMIAEWIPGOWMF-FGZHOGPDSA-N 0 3 447.970 3.913 20 0 IHADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c2[nH]cnc21 ZINC001164733605 720427365 /nfs/dbraw/zinc/42/73/65/720427365.db2.gz PYFRQYBBNLVEEY-ZWKOTPCHSA-N 0 3 435.532 3.553 20 0 IHADHN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ncccc2CN2CCCC2)C3)c1 ZINC001164724775 720496004 /nfs/dbraw/zinc/49/60/04/720496004.db2.gz HFDFVMLBHMWZKH-CPJSRVTESA-N 0 3 440.563 3.541 20 0 IHADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741812 720727985 /nfs/dbraw/zinc/72/79/85/720727985.db2.gz NBNGMRZMLYAGCX-UONOGXRCSA-N 0 3 446.338 3.682 20 0 IHADHN c1ccc(SCc2nccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870981 721183020 /nfs/dbraw/zinc/18/30/20/721183020.db2.gz CTYWMZFSHKBOOD-SFTDATJTSA-N 0 3 433.581 3.644 20 0 IHADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900348 721512528 /nfs/dbraw/zinc/51/25/28/721512528.db2.gz QWAGGRNJGYSKHT-FUHWJXTLSA-N 0 3 433.911 3.701 20 0 IHADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906721 721535736 /nfs/dbraw/zinc/53/57/36/721535736.db2.gz LCIJLIMRIGRMQF-GGAORHGYSA-N 0 3 432.499 3.815 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CCN3C2)c1 ZINC001164911944 721540017 /nfs/dbraw/zinc/54/00/17/721540017.db2.gz XPLRLEUPOJAHAH-PZJWPPBQSA-N 0 3 430.955 3.812 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164912310 721549170 /nfs/dbraw/zinc/54/91/70/721549170.db2.gz YSGNMMYEZUQMAP-QUCCMNQESA-N 0 3 437.519 3.910 20 0 IHADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164801205 721560789 /nfs/dbraw/zinc/56/07/89/721560789.db2.gz GLGQVSIJYXUNCN-XJUOHMSHSA-N 0 3 442.007 3.594 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3cccnc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907922 721693316 /nfs/dbraw/zinc/69/33/16/721693316.db2.gz WOWSNHZTGOEUGJ-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN COC(=O)c1c(C)cc(C)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908460 721702684 /nfs/dbraw/zinc/70/26/84/721702684.db2.gz ZHEIYYUJIRWMFW-QFIPXVFZSA-N 0 3 430.499 3.618 20 0 IHADHN COc1cc2c(cc1F)ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906461 721714748 /nfs/dbraw/zinc/71/47/48/721714748.db2.gz MBFJKLDWAHEWQC-QFIPXVFZSA-N 0 3 443.473 3.910 20 0 IHADHN c1ccc(-c2ncc3c(n2)[C@]2(CCN(c4ccc(CN5CCCC5)cn4)C2)COC3)cc1 ZINC001164927155 721899103 /nfs/dbraw/zinc/89/91/03/721899103.db2.gz GYXYHWDULXYUBK-SANMLTNESA-N 0 3 427.552 3.813 20 0 IHADHN c1ccc(-c2ncc3c(n2)[C@]2(CCN(c4ncccc4CN4CCCC4)C2)COC3)cc1 ZINC001164927513 721899177 /nfs/dbraw/zinc/89/91/77/721899177.db2.gz IWAIIUJJPBPXDD-SANMLTNESA-N 0 3 427.552 3.813 20 0 IHADHN Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164971874 722109307 /nfs/dbraw/zinc/10/93/07/722109307.db2.gz CYMONOMHBXRMTI-AEFFLSMTSA-N 0 3 429.977 3.775 20 0 IHADHN Fc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164978349 722113693 /nfs/dbraw/zinc/11/36/93/722113693.db2.gz OLSVFDMGUYOWPW-MAUKXSAKSA-N 0 3 426.870 3.541 20 0 IHADHN COc1ccccc1C[C@@](C)(CO)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC001203283592 1126158439 /nfs/dbraw/zinc/15/84/39/1126158439.db2.gz SWRUKNVAHIIHLD-NRFANRHFSA-N 0 3 430.346 3.727 20 0 IHADHN CCn1c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)nc2c1cccc2F ZINC001307928356 1126162043 /nfs/dbraw/zinc/16/20/43/1126162043.db2.gz HNTUTSNSXUBTBO-OAQYLSRUSA-N 0 3 432.337 3.967 20 0 IHADHN COc1ccc(C[C@](C)(CO)NCc2ccc(Br)c(F)c2F)cc1OC ZINC001460872983 1126193460 /nfs/dbraw/zinc/19/34/60/1126193460.db2.gz VXMLIPIREZEPIN-LJQANCHMSA-N 0 3 430.289 3.828 20 0 IHADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cnc(-c3c(F)cccc3F)s2)[C@H](O)C1 ZINC001621039972 1126245260 /nfs/dbraw/zinc/24/52/60/1126245260.db2.gz GFASFNMOTQTXMT-JKSUJKDBSA-N 0 3 425.501 3.548 20 0 IHADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164658562 719354559 /nfs/dbraw/zinc/35/45/59/719354559.db2.gz JEIDBUNHMFOVMS-UHFFFAOYSA-N 0 3 430.600 3.838 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)CC2 ZINC001164685330 719710814 /nfs/dbraw/zinc/71/08/14/719710814.db2.gz VFSKCPVXWDZIHC-UHFFFAOYSA-N 0 3 441.579 3.991 20 0 IHADHN O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729821 720351186 /nfs/dbraw/zinc/35/11/86/720351186.db2.gz YLHWSQOQYWDPDK-UXHICEINSA-N 0 3 425.964 3.609 20 0 IHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164730271 720428255 /nfs/dbraw/zinc/42/82/55/720428255.db2.gz JDQKWXHBKRPKCX-VQTJNVASSA-N 0 3 437.931 3.708 20 0 IHADHN CN(C)Cc1ccnc(N2Cc3ccccc3C3(CCN(C(=O)c4ccco4)CC3)C2)c1 ZINC001164845178 720744438 /nfs/dbraw/zinc/74/44/38/720744438.db2.gz WSROPLBVKDNGKI-UHFFFAOYSA-N 0 3 430.552 3.930 20 0 IHADHN Cc1sc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164738247 720764658 /nfs/dbraw/zinc/76/46/58/720764658.db2.gz FHAUYVNDGFOVBP-RBUKOAKNSA-N 0 3 444.564 3.799 20 0 IHADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746730 720802054 /nfs/dbraw/zinc/80/20/54/720802054.db2.gz MWKCPVUMLXXPRJ-CABCVRRESA-N 0 3 431.874 3.607 20 0 IHADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746731 720802333 /nfs/dbraw/zinc/80/23/33/720802333.db2.gz MWKCPVUMLXXPRJ-GJZGRUSLSA-N 0 3 431.874 3.607 20 0 IHADHN Clc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865601 721076732 /nfs/dbraw/zinc/07/67/32/721076732.db2.gz NJICIBZFEBJKBZ-SFTDATJTSA-N 0 3 435.959 3.596 20 0 IHADHN Cc1cccc(Sc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876517 721124675 /nfs/dbraw/zinc/12/46/75/721124675.db2.gz MYUFBXPYZYPNGO-NHCUHLMSSA-N 0 3 433.581 3.811 20 0 IHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164881096 721158535 /nfs/dbraw/zinc/15/85/35/721158535.db2.gz ZASNMXSUKKBVHO-PMACEKPBSA-N 0 3 439.922 3.811 20 0 IHADHN c1ccc(CSc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871572 721172925 /nfs/dbraw/zinc/17/29/25/721172925.db2.gz FLNCYUPSKUKEQV-YADHBBJMSA-N 0 3 433.581 3.644 20 0 IHADHN c1ccc(SCc2nccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164870975 721183622 /nfs/dbraw/zinc/18/36/22/721183622.db2.gz CTYWMZFSHKBOOD-NHCUHLMSSA-N 0 3 433.581 3.644 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccnc4C4SCCCS4)CCN3C2)c1 ZINC001164901039 721525424 /nfs/dbraw/zinc/52/54/24/721525424.db2.gz WDQNNLYGJRGUND-FUHWJXTLSA-N 0 3 432.590 3.826 20 0 IHADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906717 721535597 /nfs/dbraw/zinc/53/55/97/721535597.db2.gz LCIJLIMRIGRMQF-FYYLOGMGSA-N 0 3 432.499 3.815 20 0 IHADHN CCOC(=O)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C ZINC001164903290 721583552 /nfs/dbraw/zinc/58/35/52/721583552.db2.gz KVYKSEMNAHJXPH-JOCHJYFZSA-N 0 3 430.499 3.699 20 0 IHADHN COc1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908544 721704328 /nfs/dbraw/zinc/70/43/28/721704328.db2.gz XSPHRIYYLDHBCB-QFIPXVFZSA-N 0 3 425.483 3.771 20 0 IHADHN Cc1noc(-c2cccnc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164913963 721725714 /nfs/dbraw/zinc/72/57/14/721725714.db2.gz ZRYZITVLWWHDBC-NRFANRHFSA-N 0 3 426.471 3.573 20 0 IHADHN Fc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cnc1Cl ZINC001164963833 722055173 /nfs/dbraw/zinc/05/51/73/722055173.db2.gz NAZOAAWXUQDFJR-UHFFFAOYSA-N 0 3 440.897 3.933 20 0 IHADHN Fc1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981658 722103562 /nfs/dbraw/zinc/10/35/62/722103562.db2.gz LUTLSHCEIPORJU-OXQOHEQNSA-N 0 3 427.911 3.545 20 0 IHADHN Clc1cc(-c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)ccn1 ZINC001164986563 722107162 /nfs/dbraw/zinc/10/71/62/722107162.db2.gz ZHJGNTFBTZTLPW-VXKWHMMOSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978322 722111321 /nfs/dbraw/zinc/11/13/21/722111321.db2.gz OKNKCYJZTPUXSX-YADHBBJMSA-N 0 3 449.986 3.843 20 0 IHADHN Fc1ccc(Cl)nc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974083 722115885 /nfs/dbraw/zinc/11/58/85/722115885.db2.gz ILADKVDEGPLJTI-NVXWUHKLSA-N 0 3 426.870 3.541 20 0 IHADHN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972423 722116469 /nfs/dbraw/zinc/11/64/69/722116469.db2.gz FEOQEWWLGSNNIM-CRAIPNDOSA-N 0 3 426.870 3.541 20 0 IHADHN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982707 722118148 /nfs/dbraw/zinc/11/81/48/722118148.db2.gz XTXKIHDWTCDHAA-LPHOPBHVSA-N 0 3 447.917 3.884 20 0 IHADHN Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981086 722119860 /nfs/dbraw/zinc/11/98/60/722119860.db2.gz SLJWIZJZMAPGKC-IFMALSPDSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981087 722120125 /nfs/dbraw/zinc/12/01/25/722120125.db2.gz SLJWIZJZMAPGKC-IRLDBZIGSA-N 0 3 435.959 3.919 20 0 IHADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCC[C@]5(CCN5Cc5cccc(F)c5)C4)c3)cc21 ZINC001164994733 722198965 /nfs/dbraw/zinc/19/89/65/722198965.db2.gz PMLGQYXTGJTSMJ-SANMLTNESA-N 0 3 445.542 3.747 20 0 IHADHN C[C@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001460871266 1126193312 /nfs/dbraw/zinc/19/33/12/1126193312.db2.gz RRDOCZIIHJPQTQ-OAQYLSRUSA-N 0 3 428.330 3.695 20 0 IHADHN COc1ccccc1C[C@@](C)(CO)NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473752335 1126199133 /nfs/dbraw/zinc/19/91/33/1126199133.db2.gz WBTAERCNKXNPRJ-QFIPXVFZSA-N 0 3 442.357 3.998 20 0 IHADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cnc(-c3c(F)cccc3F)s2)[C@@H](O)C1 ZINC001621039970 1126245353 /nfs/dbraw/zinc/24/53/53/1126245353.db2.gz GFASFNMOTQTXMT-HOTGVXAUSA-N 0 3 425.501 3.548 20 0 IHADHN C[C@@H]1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@H](C)CN1C ZINC000508368884 719236789 /nfs/dbraw/zinc/23/67/89/719236789.db2.gz CXZLZKHPHILPGH-QZTJIDSGSA-N 0 3 437.613 3.719 20 0 IHADHN CC(C)N(C)Cc1nn(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)c2c1CCNC2 ZINC001164683695 719632579 /nfs/dbraw/zinc/63/25/79/719632579.db2.gz VAOBYPVGUIQNSR-UHFFFAOYSA-N 0 3 436.894 3.551 20 0 IHADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725907 720377001 /nfs/dbraw/zinc/37/70/01/720377001.db2.gz ODGHPWBHAZKJOO-RBUKOAKNSA-N 0 3 437.931 3.708 20 0 IHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164730273 720428101 /nfs/dbraw/zinc/42/81/01/720428101.db2.gz JDQKWXHBKRPKCX-WOJBJXKFSA-N 0 3 437.931 3.708 20 0 IHADHN Fc1ccc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164745255 720756838 /nfs/dbraw/zinc/75/68/38/720756838.db2.gz UJLUQCXINDVLSO-QZTJIDSGSA-N 0 3 448.527 3.629 20 0 IHADHN Clc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865598 721076916 /nfs/dbraw/zinc/07/69/16/721076916.db2.gz NJICIBZFEBJKBZ-LEWJYISDSA-N 0 3 435.959 3.596 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880323 721132722 /nfs/dbraw/zinc/13/27/22/721132722.db2.gz VWBZLYHESDFLIN-ROUUACIJSA-N 0 3 426.952 3.540 20 0 IHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164881101 721158963 /nfs/dbraw/zinc/15/89/63/721158963.db2.gz ZASNMXSUKKBVHO-WOJBJXKFSA-N 0 3 439.922 3.811 20 0 IHADHN c1ccc(CSc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncn2)cc1 ZINC001164871553 721168227 /nfs/dbraw/zinc/16/82/27/721168227.db2.gz FGRSZTUIXAKXNV-FCHUYYIVSA-N 0 3 433.581 3.644 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772375 721196939 /nfs/dbraw/zinc/19/69/39/721196939.db2.gz UGCJOZVCZWHTRG-IAGOWNOFSA-N 0 3 442.926 3.753 20 0 IHADHN CC(C)c1nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894868 721441214 /nfs/dbraw/zinc/44/12/14/721441214.db2.gz MTAMQYJBSLLIQG-NLFFAJNJSA-N 0 3 429.653 3.663 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)CCN3C2)c1 ZINC001164897200 721526176 /nfs/dbraw/zinc/52/61/76/721526176.db2.gz FIWCRIZQKCXONP-MJGOQNOKSA-N 0 3 425.895 3.673 20 0 IHADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)C1CC1 ZINC001164911104 721550852 /nfs/dbraw/zinc/55/08/52/721550852.db2.gz YMXSYHNTPSTZJM-PMVMPFDFSA-N 0 3 439.531 3.619 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CCN3C2)c1 ZINC001164911543 721552085 /nfs/dbraw/zinc/55/20/85/721552085.db2.gz ZHCVTQHUSBKLJY-ZFWWWQNUSA-N 0 3 434.302 3.813 20 0 IHADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164801201 721560627 /nfs/dbraw/zinc/56/06/27/721560627.db2.gz GLGQVSIJYXUNCN-MQSCRBSSSA-N 0 3 442.007 3.594 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164908651 721560902 /nfs/dbraw/zinc/56/09/02/721560902.db2.gz RKJITXGOXGMAAB-FPOVZHCZSA-N 0 3 431.515 3.508 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164909642 721560958 /nfs/dbraw/zinc/56/09/58/721560958.db2.gz UMHGQWCYJUIWJW-FPOVZHCZSA-N 0 3 431.515 3.508 20 0 IHADHN COc1cccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c21 ZINC001164913461 721725233 /nfs/dbraw/zinc/72/52/33/721725233.db2.gz VXRDTIIXWOZACU-JOCHJYFZSA-N 0 3 425.483 3.771 20 0 IHADHN C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913076 721731998 /nfs/dbraw/zinc/73/19/98/721731998.db2.gz SFSRCMSPARMSFT-AUSIDOKSSA-N 0 3 442.558 3.846 20 0 IHADHN CN(C)Cc1ccnc(N2C[C@@H](c3ccccc3)[C@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164912108 721742066 /nfs/dbraw/zinc/74/20/66/721742066.db2.gz LOMNRDSGQMAZPX-OZXSUGGESA-N 0 3 427.552 3.565 20 0 IHADHN FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964690 722054378 /nfs/dbraw/zinc/05/43/78/722054378.db2.gz WQMNFVBZYKCCSH-UHFFFAOYSA-N 0 3 438.906 3.674 20 0 IHADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CCCCC2 ZINC001164976665 722113465 /nfs/dbraw/zinc/11/34/65/722113465.db2.gz MAYVNGBLVUVWHL-RXVVDRJESA-N 0 3 427.980 3.521 20 0 IHADHN Clc1cccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)c1 ZINC001164984961 722144625 /nfs/dbraw/zinc/14/46/25/722144625.db2.gz YMBDYVNLJIMDNJ-OFNKIYASSA-N 0 3 435.959 3.919 20 0 IHADHN c1ccc(SCc2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973265 722154484 /nfs/dbraw/zinc/15/44/84/722154484.db2.gz LWFDRKBMLPVZPH-JTHBVZDNSA-N 0 3 447.608 3.891 20 0 IHADHN c1ccc(SCc2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164973252 722154980 /nfs/dbraw/zinc/15/49/80/722154980.db2.gz LWFDRKBMLPVZPH-FYYLOGMGSA-N 0 3 447.608 3.891 20 0 IHADHN FC(F)(Sc1ccc(Cl)nc1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972581 722156322 /nfs/dbraw/zinc/15/63/22/722156322.db2.gz INBNXMCXPFFSKZ-SJLPKXTDSA-N 0 3 440.947 3.995 20 0 IHADHN Cc1cc(CN[C@](C)(CO)Cc2ccc(Br)cc2)ncc1Br ZINC001203283854 1126158394 /nfs/dbraw/zinc/15/83/94/1126158394.db2.gz WFFAEPVXHRYFIS-KRWDZBQOSA-N 0 3 428.168 3.998 20 0 IHADHN Cc1ccccc1C[C@@H](CO)NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115198 1126201862 /nfs/dbraw/zinc/20/18/62/1126201862.db2.gz ZZZQSIHPBXTBII-RTWAWAEBSA-N 0 3 428.573 3.839 20 0 IHADHN COc1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c(Cl)cc1O ZINC001474626501 1126204734 /nfs/dbraw/zinc/20/47/34/1126204734.db2.gz NCBYSLILGOAMOR-LJQANCHMSA-N 0 3 426.738 3.826 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1ncnc3scc(-c4cccs4)c31)CC2 ZINC001164686271 719707345 /nfs/dbraw/zinc/70/73/45/719707345.db2.gz YQWISPBXJKSFJO-UHFFFAOYSA-N 0 3 427.599 3.601 20 0 IHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164726732 720351626 /nfs/dbraw/zinc/35/16/26/720351626.db2.gz ROMIAEWIPGOWMF-FCHUYYIVSA-N 0 3 447.970 3.913 20 0 IHADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722656 720359597 /nfs/dbraw/zinc/35/95/97/720359597.db2.gz GEXDBJUTIISQED-PMACEKPBSA-N 0 3 445.958 3.776 20 0 IHADHN CSc1nc(Cl)cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)n1 ZINC001164836261 720736975 /nfs/dbraw/zinc/73/69/75/720736975.db2.gz CTVJFZQCZXRSCM-UHFFFAOYSA-N 0 3 428.940 3.646 20 0 IHADHN Fc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164737227 720765011 /nfs/dbraw/zinc/76/50/11/720765011.db2.gz BCULWHMLMMCIKL-UXHICEINSA-N 0 3 442.498 3.568 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)s1 ZINC001164745422 720775528 /nfs/dbraw/zinc/77/55/28/720775528.db2.gz VRUPFWWDWBOYSG-ZWKOTPCHSA-N 0 3 444.564 3.799 20 0 IHADHN Clc1cc2c(Cl)ccnc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865184 721082984 /nfs/dbraw/zinc/08/29/84/721082984.db2.gz JLCFOWLQEXYGRA-HZPDHXFCSA-N 0 3 430.339 3.811 20 0 IHADHN Fc1ccc(COc2cccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164874561 721161240 /nfs/dbraw/zinc/16/12/40/721161240.db2.gz KQXXJFXNHQWYCD-PKTZIBPZSA-N 0 3 434.515 3.674 20 0 IHADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164874482 721163639 /nfs/dbraw/zinc/16/36/39/721163639.db2.gz KCCZMJPLFXIWFQ-RBUKOAKNSA-N 0 3 439.922 3.811 20 0 IHADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164880981 721168898 /nfs/dbraw/zinc/16/88/98/721168898.db2.gz YMOWYVHLGAAHIB-IRXDYDNUSA-N 0 3 430.339 3.811 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CCN3C2)c1 ZINC001164899586 721517037 /nfs/dbraw/zinc/51/70/37/721517037.db2.gz LFPYAUXFLCLQDV-IEBWSBKVSA-N 0 3 425.895 3.673 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CCN3C2)c1 ZINC001164899583 721517112 /nfs/dbraw/zinc/51/71/12/721517112.db2.gz LFPYAUXFLCLQDV-HKUYNNGSSA-N 0 3 425.895 3.673 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccnc4C4SCCCS4)CCN3C2)c1 ZINC001164901037 721525587 /nfs/dbraw/zinc/52/55/87/721525587.db2.gz WDQNNLYGJRGUND-AEFFLSMTSA-N 0 3 432.590 3.826 20 0 IHADHN CC1CCN(c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164909805 721725334 /nfs/dbraw/zinc/72/53/34/721725334.db2.gz DSKNNCGFPSTVTE-QHCPKHFHSA-N 0 3 442.558 3.846 20 0 IHADHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc(CN(C)C4CC4)cn2)C3)n1 ZINC001164959847 722027363 /nfs/dbraw/zinc/02/73/63/722027363.db2.gz IYTDQPTZBGDZMJ-RSXGOPAZSA-N 0 3 436.600 3.972 20 0 IHADHN Fc1c(Cl)nccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980716 722102297 /nfs/dbraw/zinc/10/22/97/722102297.db2.gz JYXBNKNZRYQTQY-DOTOQJQBSA-N 0 3 426.870 3.541 20 0 IHADHN CSc1nc2sccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164986247 722103604 /nfs/dbraw/zinc/10/36/04/722103604.db2.gz YNVOYPNEVHIZJZ-WMZOPIPTSA-N 0 3 427.599 3.536 20 0 IHADHN Fc1cccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979084 722112363 /nfs/dbraw/zinc/11/23/63/722112363.db2.gz OVEZCMFCTBVJKU-QFBILLFUSA-N 0 3 427.911 3.545 20 0 IHADHN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972425 722116828 /nfs/dbraw/zinc/11/68/28/722116828.db2.gz FEOQEWWLGSNNIM-QAPCUYQASA-N 0 3 426.870 3.541 20 0 IHADHN Clc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164974939 722118915 /nfs/dbraw/zinc/11/89/15/722118915.db2.gz JDCXVOVTFKSODJ-IFMALSPDSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164974945 722119339 /nfs/dbraw/zinc/11/93/39/722119339.db2.gz JDCXVOVTFKSODJ-UNMCSNQZSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1ncc(-c2ccccc2)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981088 722119680 /nfs/dbraw/zinc/11/96/80/722119680.db2.gz SLJWIZJZMAPGKC-RBBKRZOGSA-N 0 3 435.959 3.919 20 0 IHADHN c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971374 722122309 /nfs/dbraw/zinc/12/23/09/722122309.db2.gz BQBRTTLUMMOFOF-NFBKMPQASA-N 0 3 432.572 3.669 20 0 IHADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983373 722143390 /nfs/dbraw/zinc/14/33/90/722143390.db2.gz USSITKPTZMIKJB-PXNSSMCTSA-N 0 3 449.933 3.675 20 0 IHADHN Fc1ccc2c(Cl)nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981672 722150022 /nfs/dbraw/zinc/15/00/22/722150022.db2.gz PYVACZFUNMQJID-OXQOHEQNSA-N 0 3 427.911 3.545 20 0 IHADHN Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973900 722154009 /nfs/dbraw/zinc/15/40/09/722154009.db2.gz NMGDSDWGXHNNLX-RDPSFJRHSA-N 0 3 433.531 3.713 20 0 IHADHN FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972577 722156008 /nfs/dbraw/zinc/15/60/08/722156008.db2.gz INBNXMCXPFFSKZ-FUHWJXTLSA-N 0 3 440.947 3.995 20 0 IHADHN FC(F)(N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975273 722157111 /nfs/dbraw/zinc/15/71/11/722157111.db2.gz QSBKRLHQQIJHCI-UYAOXDASSA-N 0 3 448.945 3.977 20 0 IHADHN Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(CN4CCCC4)cn2)CC3)cs1 ZINC001165006281 722272942 /nfs/dbraw/zinc/27/29/42/722272942.db2.gz MZBJRMFAGNBTLL-OAQYLSRUSA-N 0 3 428.602 3.787 20 0 IHADHN COC(=O)c1cccc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)c1Cl ZINC001171949226 1126148688 /nfs/dbraw/zinc/14/86/88/1126148688.db2.gz NFHFAHQUJYNIGU-HXUWFJFHSA-N 0 3 438.749 3.899 20 0 IHADHN Cn1c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)nc2ccc(Cl)cc21 ZINC001182882043 1126153119 /nfs/dbraw/zinc/15/31/19/1126153119.db2.gz PSDZQWUEXZNANW-HXUWFJFHSA-N 0 3 434.765 3.999 20 0 IHADHN Cc1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)ncc1Br ZINC001203118891 1126157537 /nfs/dbraw/zinc/15/75/37/1126157537.db2.gz NKCCVGVMINAXBV-SFHVURJKSA-N 0 3 440.179 3.925 20 0 IHADHN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC001203283822 1126158358 /nfs/dbraw/zinc/15/83/58/1126158358.db2.gz VWQQAKCQHINFIZ-LJQANCHMSA-N 0 3 444.272 3.863 20 0 IHADHN COc1ccc(C[C@@](C)(CO)NCc2ccc(Br)c(F)c2F)cc1OC ZINC001460872981 1126193527 /nfs/dbraw/zinc/19/35/27/1126193527.db2.gz VXMLIPIREZEPIN-IBGZPJMESA-N 0 3 430.289 3.828 20 0 IHADHN COc1ccc(C[C@](C)(CO)NCc2cc3c(cc2Br)OCCCO3)cc1 ZINC001473839267 1126199692 /nfs/dbraw/zinc/19/96/92/1126199692.db2.gz WILVZBSPMWENRD-OAQYLSRUSA-N 0 3 436.346 3.702 20 0 IHADHN CN(Cc1ccc(N2CCO[C@@H](c3ncn4c3cccc4Br)C2)nc1)C1CC1 ZINC001164416307 718890949 /nfs/dbraw/zinc/89/09/49/718890949.db2.gz DFZPFDULDJBAPB-GOSISDBHSA-N 0 3 442.361 3.664 20 0 IHADHN Clc1nnc(Cl)c(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1N1CCOCC1 ZINC001164627433 719114107 /nfs/dbraw/zinc/11/41/07/719114107.db2.gz KLKOCBPGJFKXNA-MSOLQXFVSA-N 0 3 448.398 3.721 20 0 IHADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725909 720376858 /nfs/dbraw/zinc/37/68/58/720376858.db2.gz ODGHPWBHAZKJOO-RTBURBONSA-N 0 3 437.931 3.708 20 0 IHADHN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2ncccc2CN2CCCC2)C3)c1 ZINC001164724776 720496295 /nfs/dbraw/zinc/49/62/95/720496295.db2.gz HFDFVMLBHMWZKH-NBGIEHNGSA-N 0 3 440.563 3.541 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164745796 720724956 /nfs/dbraw/zinc/72/49/56/720724956.db2.gz VTJZSGCWVLIBEY-NHCUHLMSSA-N 0 3 438.535 3.737 20 0 IHADHN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836268 720738747 /nfs/dbraw/zinc/73/87/47/720738747.db2.gz CWPJMVVMYWOWON-UHFFFAOYSA-N 0 3 448.905 3.957 20 0 IHADHN Cc1nc2sc3c(c2c(N2C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C2)n1)CCCCC3 ZINC001164762686 721201860 /nfs/dbraw/zinc/20/18/60/721201860.db2.gz DDKGXXMBMHLMKL-MOPGFXCFSA-N 0 3 436.629 3.960 20 0 IHADHN COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766511 721249775 /nfs/dbraw/zinc/24/97/75/721249775.db2.gz UPDHMZOTGNDDOI-WBVHZDCISA-N 0 3 429.927 3.728 20 0 IHADHN CN(Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872028 721258970 /nfs/dbraw/zinc/25/89/70/721258970.db2.gz CPMSCUXPXPVGGL-BVAGGSTKSA-N 0 3 434.584 3.624 20 0 IHADHN c1csc(CN2C[C@@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781628 721403405 /nfs/dbraw/zinc/40/34/05/721403405.db2.gz CIKBOWPUGRSMDA-SZPZYZBQSA-N 0 3 431.609 3.665 20 0 IHADHN CC(C)c1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894864 721441513 /nfs/dbraw/zinc/44/15/13/721441513.db2.gz MTAMQYJBSLLIQG-CPJSRVTESA-N 0 3 429.653 3.663 20 0 IHADHN CCOC(=O)c1c(Cl)cc(C)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900349 721513025 /nfs/dbraw/zinc/51/30/25/721513025.db2.gz QWAGGRNJGYSKHT-SJLPKXTDSA-N 0 3 433.911 3.701 20 0 IHADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164801203 721561169 /nfs/dbraw/zinc/56/11/69/721561169.db2.gz GLGQVSIJYXUNCN-QZNHQXDQSA-N 0 3 442.007 3.594 20 0 IHADHN Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909214 721561593 /nfs/dbraw/zinc/56/15/93/721561593.db2.gz SYPNUVWMOMZDSQ-UNMCSNQZSA-N 0 3 447.514 3.518 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)CCN3C2)c1 ZINC001164907543 721564978 /nfs/dbraw/zinc/56/49/78/721564978.db2.gz OERYKYKLIJEZQH-PKOBYXMFSA-N 0 3 425.895 3.673 20 0 IHADHN COc1nnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164904863 721722963 /nfs/dbraw/zinc/72/29/63/721722963.db2.gz DPBKENVHOXATFM-JOCHJYFZSA-N 0 3 425.483 3.771 20 0 IHADHN COc1nnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c2ccccc21 ZINC001164904866 721723353 /nfs/dbraw/zinc/72/33/53/721723353.db2.gz DPBKENVHOXATFM-QFIPXVFZSA-N 0 3 425.483 3.771 20 0 IHADHN FC1(F)CCN(c2ccnc(N3CCCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908640 721723623 /nfs/dbraw/zinc/72/36/23/721723623.db2.gz YIPQMKMRLVQFFI-JOCHJYFZSA-N 0 3 428.531 3.600 20 0 IHADHN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc(CN(C)C4CC4)cn2)C3)n1 ZINC001164959843 722027351 /nfs/dbraw/zinc/02/73/51/722027351.db2.gz IYTDQPTZBGDZMJ-AOYPEHQESA-N 0 3 436.600 3.972 20 0 IHADHN CSc1nc2c(c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n1)CCCC2 ZINC001164962536 722055043 /nfs/dbraw/zinc/05/50/43/722055043.db2.gz FHRBMVASRVJWNF-UHFFFAOYSA-N 0 3 439.629 3.591 20 0 IHADHN Fc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977176 722104427 /nfs/dbraw/zinc/10/44/27/722104427.db2.gz DVRMVTTUIDYYNC-WBVHZDCISA-N 0 3 426.870 3.541 20 0 IHADHN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982710 722118430 /nfs/dbraw/zinc/11/84/30/722118430.db2.gz XTXKIHDWTCDHAA-QFBILLFUSA-N 0 3 447.917 3.884 20 0 IHADHN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982706 722118545 /nfs/dbraw/zinc/11/85/45/722118545.db2.gz XTXKIHDWTCDHAA-APWZRJJASA-N 0 3 447.917 3.884 20 0 IHADHN c1ccc(COc2cccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164981139 722133109 /nfs/dbraw/zinc/13/31/09/722133109.db2.gz OQPFGBGGIYWFSD-DNQXCXABSA-N 0 3 430.552 3.783 20 0 IHADHN Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973904 722154169 /nfs/dbraw/zinc/15/41/69/722154169.db2.gz NMGDSDWGXHNNLX-YKSBVNFPSA-N 0 3 433.531 3.713 20 0 IHADHN Clc1nc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C2CC2)n1 ZINC001164972610 722156108 /nfs/dbraw/zinc/15/61/08/722156108.db2.gz IRLRMWHXCWYFCS-DLBZAZTESA-N 0 3 434.371 3.783 20 0 IHADHN Cc1ccccc1C[C@H](CO)NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001205425938 1126159441 /nfs/dbraw/zinc/15/94/41/1126159441.db2.gz HQDXLPRVHUNIAB-OAQYLSRUSA-N 0 3 428.573 3.839 20 0 IHADHN CC(C)(C)OC(=O)N1CCN(c2ccc(CN[C@](C)(CO)Cc3ccc(F)cc3)o2)CC1 ZINC001621022542 1126244570 /nfs/dbraw/zinc/24/45/70/1126244570.db2.gz AOPGGAVINIZZNI-DEOSSOPVSA-N 0 3 447.551 3.559 20 0 IHADHN O[C@@H]([C@H](Cc1ccccc1)NCc1cccc(I)c1)C(F)(F)F ZINC001620789952 1126242904 /nfs/dbraw/zinc/24/29/04/1126242904.db2.gz PBRDIIDYCYJUHJ-HOTGVXAUSA-N 0 3 435.227 3.915 20 0 IHADHN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164389143 718826524 /nfs/dbraw/zinc/82/65/24/718826524.db2.gz GVUFBUZYEQNDMZ-GOEBONIOSA-N 0 3 448.823 3.928 20 0 IHADHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164431047 718955106 /nfs/dbraw/zinc/95/51/06/718955106.db2.gz ZTBOADZQLXBNKP-XMMPIXPASA-N 0 3 448.611 3.677 20 0 IHADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N(C)C)nc(C)n1)CC2 ZINC001164663411 719346159 /nfs/dbraw/zinc/34/61/59/719346159.db2.gz GEPSWCNTVCLQSO-UHFFFAOYSA-N 0 3 431.588 3.546 20 0 IHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164726738 720351575 /nfs/dbraw/zinc/35/15/75/720351575.db2.gz ROMIAEWIPGOWMF-YADHBBJMSA-N 0 3 447.970 3.913 20 0 IHADHN Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2n1 ZINC001164725228 720356562 /nfs/dbraw/zinc/35/65/62/720356562.db2.gz MSHGLBFQCUYKJQ-NWDGAFQWSA-N 0 3 436.734 3.628 20 0 IHADHN CN(Cc1ccc(N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730185 720494954 /nfs/dbraw/zinc/49/49/54/720494954.db2.gz SSORTUNUFNGNSY-CJFMBICVSA-N 0 3 440.563 3.539 20 0 IHADHN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164726368 720495048 /nfs/dbraw/zinc/49/50/48/720495048.db2.gz LMPNLYGSCYVYFY-BWKNWUBXSA-N 0 3 440.563 3.541 20 0 IHADHN Fc1cccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2ncccc2CN2CCCC2)C3)c1 ZINC001164724777 720496976 /nfs/dbraw/zinc/49/69/76/720496976.db2.gz HFDFVMLBHMWZKH-NLFFAJNJSA-N 0 3 440.563 3.541 20 0 IHADHN Cc1sc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1-c1ccccc1 ZINC001164738244 720763939 /nfs/dbraw/zinc/76/39/39/720763939.db2.gz FHAUYVNDGFOVBP-OALUTQOASA-N 0 3 444.564 3.799 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)s1 ZINC001164745415 720775154 /nfs/dbraw/zinc/77/51/54/720775154.db2.gz VRUPFWWDWBOYSG-QZTJIDSGSA-N 0 3 444.564 3.799 20 0 IHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867262 721104357 /nfs/dbraw/zinc/10/43/57/721104357.db2.gz XOEVOSDDPZSUMR-MSOLQXFVSA-N 0 3 444.963 3.565 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880320 721133250 /nfs/dbraw/zinc/13/32/50/721133250.db2.gz VWBZLYHESDFLIN-QZTJIDSGSA-N 0 3 426.952 3.540 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164875453 721175021 /nfs/dbraw/zinc/17/50/21/721175021.db2.gz LPXPISYQCWBJSQ-IRXDYDNUSA-N 0 3 429.446 3.581 20 0 IHADHN CN(Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872030 721258500 /nfs/dbraw/zinc/25/85/00/721258500.db2.gz CPMSCUXPXPVGGL-JYFHCDHNSA-N 0 3 434.584 3.624 20 0 IHADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900097 721515207 /nfs/dbraw/zinc/51/52/07/721515207.db2.gz OAOPAOQQPUSGSF-IFMALSPDSA-N 0 3 438.547 3.625 20 0 IHADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905823 721548020 /nfs/dbraw/zinc/54/80/20/721548020.db2.gz IPJQQQMTVUBOOV-GMAHTHKFSA-N 0 3 433.531 3.691 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908217 721551079 /nfs/dbraw/zinc/55/10/79/721551079.db2.gz PZUQXICYCMKRMU-AZUAARDMSA-N 0 3 428.508 3.910 20 0 IHADHN FC1(F)CCN(c2cc(N3CCCCC3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908951 721723761 /nfs/dbraw/zinc/72/37/61/721723761.db2.gz ZWHIITGCPGCJEO-JOCHJYFZSA-N 0 3 428.531 3.600 20 0 IHADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c21 ZINC001164965933 722062284 /nfs/dbraw/zinc/06/22/84/722062284.db2.gz MISCLCIHTNHZJV-UHFFFAOYSA-N 0 3 446.530 3.764 20 0 IHADHN c1cn(C2CCCC2)c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971376 722122581 /nfs/dbraw/zinc/12/25/81/722122581.db2.gz BQBRTTLUMMOFOF-OFNKIYASSA-N 0 3 432.572 3.669 20 0 IHADHN c1ccc(COc2cccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164981144 722133114 /nfs/dbraw/zinc/13/31/14/722133114.db2.gz OQPFGBGGIYWFSD-ZEQRLZLVSA-N 0 3 430.552 3.783 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164977069 722135958 /nfs/dbraw/zinc/13/59/58/722135958.db2.gz IKXZNUJXJPVJLF-RTWAWAEBSA-N 0 3 448.571 3.551 20 0 IHADHN c1ccc(COc2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164980356 722138823 /nfs/dbraw/zinc/13/88/23/722138823.db2.gz NEWMOPWEBAHPAD-ILBGXUMGSA-N 0 3 430.552 3.783 20 0 IHADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983375 722143132 /nfs/dbraw/zinc/14/31/32/722143132.db2.gz USSITKPTZMIKJB-XLIONFOSSA-N 0 3 449.933 3.675 20 0 IHADHN CCOc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984263 722147875 /nfs/dbraw/zinc/14/78/75/722147875.db2.gz XCCXMSMHIBQNFJ-DHLKQENFSA-N 0 3 445.567 3.665 20 0 IHADHN CCOc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984266 722148031 /nfs/dbraw/zinc/14/80/31/722148031.db2.gz XCCXMSMHIBQNFJ-WIOPSUGQSA-N 0 3 445.567 3.665 20 0 IHADHN Fc1ccc2c(Cl)nnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981674 722150399 /nfs/dbraw/zinc/15/03/99/722150399.db2.gz PYVACZFUNMQJID-UZLBHIALSA-N 0 3 427.911 3.545 20 0 IHADHN COC(=O)c1ccccc1-c1ccc(CN[C@@](C)(CO)Cc2ccc(OC)c(OC)c2)o1 ZINC001183684689 1126153316 /nfs/dbraw/zinc/15/33/16/1126153316.db2.gz GMWZPFCWHCLXFD-RUZDIDTESA-N 0 3 439.508 3.834 20 0 IHADHN Cc1ccc(C[C@H](CO)NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009513 1126156713 /nfs/dbraw/zinc/15/67/13/1126156713.db2.gz IFMBEWZEBYSZGB-LEWJYISDSA-N 0 3 428.573 3.839 20 0 IHADHN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(I)cc1)C(F)(F)F ZINC001308040391 1126162962 /nfs/dbraw/zinc/16/29/62/1126162962.db2.gz VBNFEFGZRZWQIR-HOTGVXAUSA-N 0 3 435.227 3.915 20 0 IHADHN C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001460871264 1126193182 /nfs/dbraw/zinc/19/31/82/1126193182.db2.gz RRDOCZIIHJPQTQ-NRFANRHFSA-N 0 3 428.330 3.695 20 0 IHADHN COc1ccc(C[C@@](C)(CO)NCc2cc3c(cc2Br)OCCCO3)cc1 ZINC001473839266 1126199677 /nfs/dbraw/zinc/19/96/77/1126199677.db2.gz WILVZBSPMWENRD-NRFANRHFSA-N 0 3 436.346 3.702 20 0 IHADHN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)CC1 ZINC000008192043 562949078 /nfs/dbraw/zinc/94/90/78/562949078.db2.gz XLYYNVLBBGMBNP-UHFFFAOYSA-N 0 3 426.948 3.861 20 0 IHADHN CC(C)N1CCN(C(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1 ZINC000012612022 562982745 /nfs/dbraw/zinc/98/27/45/562982745.db2.gz JKTWBYMYMFZEQY-UHFFFAOYSA-N 0 3 435.612 3.939 20 0 IHADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@@H]3C2)c(Cl)nn1 ZINC001164390503 718826060 /nfs/dbraw/zinc/82/60/60/718826060.db2.gz PGQDFCQOBHPHAK-GOEBONIOSA-N 0 3 448.823 3.928 20 0 IHADHN CCc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164690232 719756934 /nfs/dbraw/zinc/75/69/34/719756934.db2.gz WEZZIEWVKJQART-UHFFFAOYSA-N 0 3 443.979 3.666 20 0 IHADHN Fc1ccc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745257 720755357 /nfs/dbraw/zinc/75/53/57/720755357.db2.gz UJLUQCXINDVLSO-ROUUACIJSA-N 0 3 448.527 3.629 20 0 IHADHN Cc1sc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164738241 720765608 /nfs/dbraw/zinc/76/56/08/720765608.db2.gz FHAUYVNDGFOVBP-MOPGFXCFSA-N 0 3 444.564 3.799 20 0 IHADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c12 ZINC001164865801 721087443 /nfs/dbraw/zinc/08/74/43/721087443.db2.gz PPCIWUNEWKVLOD-JKSUJKDBSA-N 0 3 430.339 3.811 20 0 IHADHN Cc1cccc(Sc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876516 721125908 /nfs/dbraw/zinc/12/59/08/721125908.db2.gz MYUFBXPYZYPNGO-LEWJYISDSA-N 0 3 433.581 3.811 20 0 IHADHN O=C(NC[C@H]1CCC[C@]2(CCN(c3ncccc3CN3CCCC3)C2)O1)c1ccccc1 ZINC001164879262 721259986 /nfs/dbraw/zinc/25/99/86/721259986.db2.gz XMLNRJFJNTZTDL-ZEQKJWHPSA-N 0 3 434.584 3.625 20 0 IHADHN c1csc(CN2C[C@@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@H]3C2)n1 ZINC001164781626 721403480 /nfs/dbraw/zinc/40/34/80/721403480.db2.gz CIKBOWPUGRSMDA-FGZHOGPDSA-N 0 3 431.609 3.665 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CCN3C2)c1 ZINC001164911536 721551592 /nfs/dbraw/zinc/55/15/92/721551592.db2.gz ZHCVTQHUSBKLJY-UKRRQHHQSA-N 0 3 434.302 3.813 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164908657 721561376 /nfs/dbraw/zinc/56/13/76/721561376.db2.gz RKJITXGOXGMAAB-TZIWHRDSSA-N 0 3 431.515 3.508 20 0 IHADHN Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904416 721582533 /nfs/dbraw/zinc/58/25/33/721582533.db2.gz QBVLAGIBHAEYLF-QFIPXVFZSA-N 0 3 428.531 3.740 20 0 IHADHN CCOC(=O)c1ccc(C)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905767 721583264 /nfs/dbraw/zinc/58/32/64/721583264.db2.gz WSXZEHAMFXQFNB-JOCHJYFZSA-N 0 3 430.499 3.699 20 0 IHADHN CCOC(=O)/C=C/c1cccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906613 721585563 /nfs/dbraw/zinc/58/55/63/721585563.db2.gz NQKDCKGLKBTEJS-UPWIVDSGSA-N 0 3 442.510 3.791 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3cnccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904841 721697100 /nfs/dbraw/zinc/69/71/00/721697100.db2.gz GWXAZTKLRFJYKD-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN CCOC(=O)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1C ZINC001164904162 721708473 /nfs/dbraw/zinc/70/84/73/721708473.db2.gz AIQPFZPBOVBHCQ-QFIPXVFZSA-N 0 3 430.499 3.699 20 0 IHADHN COC(OC)c1cc(C)cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906931 721718507 /nfs/dbraw/zinc/71/85/07/721718507.db2.gz PBEPSSIRIJFUMN-JOCHJYFZSA-N 0 3 432.515 3.814 20 0 IHADHN Clc1cc(-c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)ccn1 ZINC001164986566 722107075 /nfs/dbraw/zinc/10/70/75/722107075.db2.gz ZHJGNTFBTZTLPW-YADHBBJMSA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164978358 722113810 /nfs/dbraw/zinc/11/38/10/722113810.db2.gz OLSVFDMGUYOWPW-YJBOKZPZSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1cccc(-c2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164984956 722144877 /nfs/dbraw/zinc/14/48/77/722144877.db2.gz YMBDYVNLJIMDNJ-NFBKMPQASA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973105 722147395 /nfs/dbraw/zinc/14/73/95/722147395.db2.gz AYAHOKARESBWEU-XMSQKQJNSA-N 0 3 437.494 3.544 20 0 IHADHN CCc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164977091 722147503 /nfs/dbraw/zinc/14/75/03/722147503.db2.gz IROJPPLRCFYWOQ-ILBGXUMGSA-N 0 3 429.568 3.828 20 0 IHADHN c1ccc(CSc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ncn2)cc1 ZINC001164985451 722149195 /nfs/dbraw/zinc/14/91/95/722149195.db2.gz ZNJRUWMAGVCANO-GOTSBHOMSA-N 0 3 447.608 3.891 20 0 IHADHN c1ccc(SCc2nccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973261 722154554 /nfs/dbraw/zinc/15/45/54/722154554.db2.gz LWFDRKBMLPVZPH-GMAHTHKFSA-N 0 3 447.608 3.891 20 0 IHADHN FC(F)(N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975272 722157483 /nfs/dbraw/zinc/15/74/83/722157483.db2.gz QSBKRLHQQIJHCI-QUCCMNQESA-N 0 3 448.945 3.977 20 0 IHADHN COc1ccccc1C[C@](C)(CO)NCc1ccnc(-c2ccc(Br)cc2)n1 ZINC001473752332 1126199165 /nfs/dbraw/zinc/19/91/65/1126199165.db2.gz WBTAERCNKXNPRJ-JOCHJYFZSA-N 0 3 442.357 3.998 20 0 IHADHN c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4NCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164389457 718824478 /nfs/dbraw/zinc/82/44/78/718824478.db2.gz IOJWXDRHDPGVKC-NHCUHLMSSA-N 0 3 449.624 3.911 20 0 IHADHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164431046 718954594 /nfs/dbraw/zinc/95/45/94/718954594.db2.gz ZTBOADZQLXBNKP-DEOSSOPVSA-N 0 3 448.611 3.677 20 0 IHADHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164427450 718954710 /nfs/dbraw/zinc/95/47/10/718954710.db2.gz CRGWPSHIXYEZJU-DEOSSOPVSA-N 0 3 448.611 3.679 20 0 IHADHN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164428246 718954781 /nfs/dbraw/zinc/95/47/81/718954781.db2.gz IGCRDURXYKHNHM-DEOSSOPVSA-N 0 3 448.611 3.679 20 0 IHADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2ccccc2C(F)(F)F)c1 ZINC001164633810 719137243 /nfs/dbraw/zinc/13/72/43/719137243.db2.gz SWAPPUAYDLTDMV-OAHLLOKOSA-N 0 3 449.807 3.917 20 0 IHADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)N(C)C[C@H]3C)c2c1C ZINC001164637181 719237468 /nfs/dbraw/zinc/23/74/68/719237468.db2.gz UMISKNYKRVDHMJ-JKSUJKDBSA-N 0 3 445.633 3.691 20 0 IHADHN CN(Cc1ccc(N2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)nc1)C1CC1 ZINC001164656640 719323410 /nfs/dbraw/zinc/32/34/10/719323410.db2.gz YXQIOJOBAMWJRM-UHFFFAOYSA-N 0 3 444.583 3.819 20 0 IHADHN CC(C)CN1CCN(c2ccc(Cn3ccc4nc(-c5ccccc5F)nc-4c3)nn2)CC1 ZINC001164651268 719330325 /nfs/dbraw/zinc/33/03/25/719330325.db2.gz DUSJTDRCIZVTFR-UHFFFAOYSA-N 0 3 445.546 3.805 20 0 IHADHN Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2n1 ZINC001164725229 720356036 /nfs/dbraw/zinc/35/60/36/720356036.db2.gz MSHGLBFQCUYKJQ-RYUDHWBXSA-N 0 3 436.734 3.628 20 0 IHADHN COc1cc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723863 720365668 /nfs/dbraw/zinc/36/56/68/720365668.db2.gz HTGXYZLKCPEWJR-ROUUACIJSA-N 0 3 425.920 3.549 20 0 IHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164725470 720393186 /nfs/dbraw/zinc/39/31/86/720393186.db2.gz NOLJDHQGSKKBAK-XZOQPEGZSA-N 0 3 428.515 3.867 20 0 IHADHN Fc1cccc(NC[C@H]2CO[C@]3(C2)COCCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164726369 720495439 /nfs/dbraw/zinc/49/54/39/720495439.db2.gz LMPNLYGSCYVYFY-OFVILXPXSA-N 0 3 440.563 3.541 20 0 IHADHN Cc1ccc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164738410 720676525 /nfs/dbraw/zinc/67/65/25/720676525.db2.gz JJGDQOGHPZGNAO-MOPGFXCFSA-N 0 3 444.564 3.799 20 0 IHADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741808 720728373 /nfs/dbraw/zinc/72/83/73/720728373.db2.gz NBNGMRZMLYAGCX-KBPBESRZSA-N 0 3 446.338 3.682 20 0 IHADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838627 720738964 /nfs/dbraw/zinc/73/89/64/720738964.db2.gz UESDHRSPKKJDFP-UHFFFAOYSA-N 0 3 431.318 3.663 20 0 IHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867264 721105348 /nfs/dbraw/zinc/10/53/48/721105348.db2.gz XOEVOSDDPZSUMR-QZTJIDSGSA-N 0 3 444.963 3.565 20 0 IHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867265 721107530 /nfs/dbraw/zinc/10/75/30/721107530.db2.gz XOEVOSDDPZSUMR-ROUUACIJSA-N 0 3 444.963 3.565 20 0 IHADHN CCc1nc2sc3c(c2c(N2CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164879143 721138836 /nfs/dbraw/zinc/13/88/36/721138836.db2.gz RZASCSHSIVORCG-MSOLQXFVSA-N 0 3 435.597 3.617 20 0 IHADHN c1ccc(SCc2nccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164870972 721183399 /nfs/dbraw/zinc/18/33/99/721183399.db2.gz CTYWMZFSHKBOOD-LEWJYISDSA-N 0 3 433.581 3.644 20 0 IHADHN CC(C)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895758 721441099 /nfs/dbraw/zinc/44/10/99/721441099.db2.gz PGPYQYHZGMLIEI-NBGIEHNGSA-N 0 3 429.653 3.663 20 0 IHADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905822 721547660 /nfs/dbraw/zinc/54/76/60/721547660.db2.gz IPJQQQMTVUBOOV-GGAORHGYSA-N 0 3 433.531 3.691 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nccc54)CCN3C2)c1 ZINC001164911525 721551563 /nfs/dbraw/zinc/55/15/63/721551563.db2.gz ZHCVTQHUSBKLJY-HIFRSBDPSA-N 0 3 434.302 3.813 20 0 IHADHN FC1(F)CCN(c2nnc(Cl)c3ccncc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908434 721586927 /nfs/dbraw/zinc/58/69/27/721586927.db2.gz ZFHZEHDDWSFSRC-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN FC1(F)CCN(c2ncnc3nc(Cl)ccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904936 721691995 /nfs/dbraw/zinc/69/19/95/721691995.db2.gz HTCBVXOUXYZXTL-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccncc2)n1 ZINC001164908083 721723653 /nfs/dbraw/zinc/72/36/53/721723653.db2.gz VHHFDBWETXPXHJ-QHCPKHFHSA-N 0 3 436.510 3.980 20 0 IHADHN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982713 722118237 /nfs/dbraw/zinc/11/82/37/722118237.db2.gz XTXKIHDWTCDHAA-VQIMIIECSA-N 0 3 447.917 3.884 20 0 IHADHN c1cn(C2CCCC2)c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164971375 722122741 /nfs/dbraw/zinc/12/27/41/722122741.db2.gz BQBRTTLUMMOFOF-NZQKXSOJSA-N 0 3 432.572 3.669 20 0 IHADHN Fc1cccc(Oc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985028 722131762 /nfs/dbraw/zinc/13/17/62/722131762.db2.gz YWWPWBLIUZNSSK-UGKGYDQZSA-N 0 3 435.503 3.530 20 0 IHADHN Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982202 722135777 /nfs/dbraw/zinc/13/57/77/722135777.db2.gz RIMKNBJCUFJTFL-UZLBHIALSA-N 0 3 427.911 3.545 20 0 IHADHN COC(=O)c1cccc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c1Cl ZINC001171949225 1126148581 /nfs/dbraw/zinc/14/85/81/1126148581.db2.gz NFHFAHQUJYNIGU-FQEVSTJZSA-N 0 3 438.749 3.899 20 0 IHADHN CN(C)Cc1ccnc(N2CCC3(CC[C@@H](OCC(=O)N(C)C)c4ccccc43)CC2)c1 ZINC001164635291 719140041 /nfs/dbraw/zinc/14/00/41/719140041.db2.gz WVXMRQBRUCHIGS-HSZRJFAPSA-N 0 3 436.600 3.621 20 0 IHADHN C[C@@H]1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@@H](C)CN1C ZINC000508368881 719236593 /nfs/dbraw/zinc/23/65/93/719236593.db2.gz CXZLZKHPHILPGH-MSOLQXFVSA-N 0 3 437.613 3.719 20 0 IHADHN Cc1nc(CN2C(=O)CCC23CCN(c2ccc(CN4CCCC4)cn2)CC3)cs1 ZINC001164687138 719594627 /nfs/dbraw/zinc/59/46/27/719594627.db2.gz RJMVGHHHDYKUET-UHFFFAOYSA-N 0 3 425.602 3.604 20 0 IHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164725463 720393308 /nfs/dbraw/zinc/39/33/08/720393308.db2.gz NOLJDHQGSKKBAK-DHIUTWEWSA-N 0 3 428.515 3.867 20 0 IHADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c2[nH]cnc21 ZINC001164733602 720427754 /nfs/dbraw/zinc/42/77/54/720427754.db2.gz PYFRQYBBNLVEEY-MSOLQXFVSA-N 0 3 435.532 3.553 20 0 IHADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749217 720785459 /nfs/dbraw/zinc/78/54/59/720785459.db2.gz SEKOERJYIPBKIM-ROUUACIJSA-N 0 3 436.947 3.546 20 0 IHADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869527 721044294 /nfs/dbraw/zinc/04/42/94/721044294.db2.gz UCTAUAXDWMJEAQ-DLBZAZTESA-N 0 3 430.339 3.811 20 0 IHADHN Cc1cccc(Sc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164876518 721126137 /nfs/dbraw/zinc/12/61/37/721126137.db2.gz MYUFBXPYZYPNGO-RTWAWAEBSA-N 0 3 433.581 3.811 20 0 IHADHN CCc1nc2sc3c(c2c(N2CCN4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCC3 ZINC001164879146 721137565 /nfs/dbraw/zinc/13/75/65/721137565.db2.gz RZASCSHSIVORCG-QZTJIDSGSA-N 0 3 435.597 3.617 20 0 IHADHN CCc1nc2sc3c(c2c(N2CCN4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164879150 721140022 /nfs/dbraw/zinc/14/00/22/721140022.db2.gz RZASCSHSIVORCG-ZWKOTPCHSA-N 0 3 435.597 3.617 20 0 IHADHN c1ccc(CSc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871569 721173593 /nfs/dbraw/zinc/17/35/93/721173593.db2.gz FLNCYUPSKUKEQV-FCHUYYIVSA-N 0 3 433.581 3.644 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@@H]3C2)cn1 ZINC001164767000 721216052 /nfs/dbraw/zinc/21/60/52/721216052.db2.gz JWBRAVIFULROQV-MSOLQXFVSA-N 0 3 426.927 3.628 20 0 IHADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900099 721514922 /nfs/dbraw/zinc/51/49/22/721514922.db2.gz OAOPAOQQPUSGSF-RBBKRZOGSA-N 0 3 438.547 3.625 20 0 IHADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906355 721539791 /nfs/dbraw/zinc/53/97/91/721539791.db2.gz KCDJRHVYGYKTHC-MJGOQNOKSA-N 0 3 446.954 3.744 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908222 721551107 /nfs/dbraw/zinc/55/11/07/721551107.db2.gz PZUQXICYCMKRMU-QUCCMNQESA-N 0 3 428.508 3.910 20 0 IHADHN Cc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909212 721561898 /nfs/dbraw/zinc/56/18/98/721561898.db2.gz SYPNUVWMOMZDSQ-IRLDBZIGSA-N 0 3 447.514 3.518 20 0 IHADHN Cn1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904121 721697944 /nfs/dbraw/zinc/69/79/44/721697944.db2.gz DGTVEXCJWTVBRF-FQEVSTJZSA-N 0 3 432.906 3.754 20 0 IHADHN FC1(F)CCN(c2cc(N3CCCCC3)ncn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908952 721723543 /nfs/dbraw/zinc/72/35/43/721723543.db2.gz ZWHIITGCPGCJEO-QFIPXVFZSA-N 0 3 428.531 3.600 20 0 IHADHN Cc1noc(-c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2)n1 ZINC001164913864 721726741 /nfs/dbraw/zinc/72/67/41/721726741.db2.gz ZBLOSORGEWRGPP-NRFANRHFSA-N 0 3 426.471 3.573 20 0 IHADHN CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164966246 722062561 /nfs/dbraw/zinc/06/25/61/722062561.db2.gz OYOYUDGOLCIDOU-IBGZPJMESA-N 0 3 434.588 3.985 20 0 IHADHN CSc1nc2sccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986245 722103306 /nfs/dbraw/zinc/10/33/06/722103306.db2.gz YNVOYPNEVHIZJZ-SJLPKXTDSA-N 0 3 427.599 3.536 20 0 IHADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CCCCC2 ZINC001164976672 722113543 /nfs/dbraw/zinc/11/35/43/722113543.db2.gz MAYVNGBLVUVWHL-WIYYLYMNSA-N 0 3 427.980 3.521 20 0 IHADHN Fc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974084 722115971 /nfs/dbraw/zinc/11/59/71/722115971.db2.gz ILADKVDEGPLJTI-RDJZCZTQSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1ncc(-c2ccccc2)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981089 722120047 /nfs/dbraw/zinc/12/00/47/722120047.db2.gz SLJWIZJZMAPGKC-UNMCSNQZSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1ccccc1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973458 722129915 /nfs/dbraw/zinc/12/99/15/722129915.db2.gz CJBOHHNPADFRCT-CVDCTZTESA-N 0 3 435.959 3.919 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164977067 722135896 /nfs/dbraw/zinc/13/58/96/722135896.db2.gz IKXZNUJXJPVJLF-LEWJYISDSA-N 0 3 448.571 3.551 20 0 IHADHN FC(F)c1nc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975203 722146861 /nfs/dbraw/zinc/14/68/61/722146861.db2.gz FRXRRAAMLMWXCW-PXNSSMCTSA-N 0 3 425.483 3.690 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974666 722152999 /nfs/dbraw/zinc/15/29/99/722152999.db2.gz OUBSCWIHZBQOLD-OXQOHEQNSA-N 0 3 443.473 3.829 20 0 IHADHN Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972734 722154899 /nfs/dbraw/zinc/15/48/99/722154899.db2.gz JEDDDJXGLRNSTA-UXHICEINSA-N 0 3 427.980 3.828 20 0 IHADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994858 722205971 /nfs/dbraw/zinc/20/59/71/722205971.db2.gz IZOIQXORASAEAQ-DEOSSOPVSA-N 0 3 437.519 3.529 20 0 IHADHN COc1c(Br)cc(Br)cc1CN[C@H](CO)Cc1ccccc1 ZINC000389255624 1126080097 /nfs/dbraw/zinc/08/00/97/1126080097.db2.gz NMXMWTRXRHRVPD-HNNXBMFYSA-N 0 3 429.152 3.913 20 0 IHADHN Cc1ccc(C[C@H](CO)NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009514 1126156695 /nfs/dbraw/zinc/15/66/95/1126156695.db2.gz IFMBEWZEBYSZGB-NHCUHLMSSA-N 0 3 428.573 3.839 20 0 IHADHN Cc1c([O-])ccc2c(C[NH2+][C@](C)(CO)Cc3ccc(Br)cc3)cc(=O)oc12 ZINC001460859354 1126192354 /nfs/dbraw/zinc/19/23/54/1126192354.db2.gz CPYKVTRWMDMCCU-NRFANRHFSA-N 0 3 432.314 3.653 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(SC)n3)CC2)CC1 ZINC001164613797 719022079 /nfs/dbraw/zinc/02/20/79/719022079.db2.gz FBGKXNIYRLJXHD-UHFFFAOYSA-N 0 3 448.967 3.641 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(C4CC4)nnc3Cl)CC2)CC1 ZINC001164616485 719032327 /nfs/dbraw/zinc/03/23/27/719032327.db2.gz DIQWUJLXUBSYHT-UHFFFAOYSA-N 0 3 442.938 3.796 20 0 IHADHN Clc1nnc(Cl)c(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1N1CCOCC1 ZINC001164627439 719114084 /nfs/dbraw/zinc/11/40/84/719114084.db2.gz KLKOCBPGJFKXNA-ZWKOTPCHSA-N 0 3 448.398 3.721 20 0 IHADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)c2c1CCNC2 ZINC001164685735 719612296 /nfs/dbraw/zinc/61/22/96/719612296.db2.gz VQSCNUTXKBEHIO-UHFFFAOYSA-N 0 3 438.885 3.702 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1ncnc3scc(-c4ccc(C)cc4)c31)CC2 ZINC001164686114 719714031 /nfs/dbraw/zinc/71/40/31/719714031.db2.gz XFHLDJVDNROUCT-UHFFFAOYSA-N 0 3 435.597 3.848 20 0 IHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164725395 720394816 /nfs/dbraw/zinc/39/48/16/720394816.db2.gz NFNHDCMAVNAZSA-GOTSBHOMSA-N 0 3 428.515 3.867 20 0 IHADHN CN(C)Cc1ccnc(N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)c1 ZINC001164838677 720735175 /nfs/dbraw/zinc/73/51/75/720735175.db2.gz WKYSKWZMQCPUNK-UHFFFAOYSA-N 0 3 432.547 3.631 20 0 IHADHN Fc1ccc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164745259 720755955 /nfs/dbraw/zinc/75/59/55/720755955.db2.gz UJLUQCXINDVLSO-ZWKOTPCHSA-N 0 3 448.527 3.629 20 0 IHADHN Cc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164740481 720757013 /nfs/dbraw/zinc/75/70/13/720757013.db2.gz LJFVQHMIJKJOJZ-RTWAWAEBSA-N 0 3 438.535 3.737 20 0 IHADHN Fc1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746359 720762333 /nfs/dbraw/zinc/76/23/33/720762333.db2.gz XPXWLURRYHHMPE-WOJBJXKFSA-N 0 3 442.498 3.568 20 0 IHADHN Cc1sc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1-c1ccccc1 ZINC001164738251 720764983 /nfs/dbraw/zinc/76/49/83/720764983.db2.gz FHAUYVNDGFOVBP-RTBURBONSA-N 0 3 444.564 3.799 20 0 IHADHN CCn1nnc2c1CCN(c1ccc(CN3CCCC3)cn1)[C@@H]2COCc1ccccc1 ZINC001164765183 721049486 /nfs/dbraw/zinc/04/94/86/721049486.db2.gz CFZXFVFFOCHWMY-HSZRJFAPSA-N 0 3 432.572 3.609 20 0 IHADHN Clc1cc(Cc2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866181 721120578 /nfs/dbraw/zinc/12/05/78/721120578.db2.gz RQWZKYPDXUBWMG-YADHBBJMSA-N 0 3 435.959 3.596 20 0 IHADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164876976 721137995 /nfs/dbraw/zinc/13/79/95/721137995.db2.gz NHEDKTVXLCPPIL-RTBURBONSA-N 0 3 435.597 3.753 20 0 IHADHN c1ccc(CSc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164871571 721172672 /nfs/dbraw/zinc/17/26/72/721172672.db2.gz FLNCYUPSKUKEQV-VXKWHMMOSA-N 0 3 433.581 3.644 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@H]3C2)cn1 ZINC001164767003 721216449 /nfs/dbraw/zinc/21/64/49/721216449.db2.gz JWBRAVIFULROQV-QZTJIDSGSA-N 0 3 426.927 3.628 20 0 IHADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164906354 721540150 /nfs/dbraw/zinc/54/01/50/721540150.db2.gz KCDJRHVYGYKTHC-IEBWSBKVSA-N 0 3 446.954 3.744 20 0 IHADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2CN2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801207 721561024 /nfs/dbraw/zinc/56/10/24/721561024.db2.gz GLGQVSIJYXUNCN-XPNTWCBSSA-N 0 3 442.007 3.594 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164909643 721561340 /nfs/dbraw/zinc/56/13/40/721561340.db2.gz UMHGQWCYJUIWJW-PZJWPPBQSA-N 0 3 431.515 3.508 20 0 IHADHN Cc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1N1CCCC1 ZINC001164905962 721583041 /nfs/dbraw/zinc/58/30/41/721583041.db2.gz YDNUZVDRAVPMCX-QFIPXVFZSA-N 0 3 428.531 3.518 20 0 IHADHN Cn1ccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904124 721698272 /nfs/dbraw/zinc/69/82/72/721698272.db2.gz DGTVEXCJWTVBRF-HXUWFJFHSA-N 0 3 432.906 3.754 20 0 IHADHN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc(CN4CCCC4)cn2)C3)n1 ZINC001164964783 722027077 /nfs/dbraw/zinc/02/70/77/722027077.db2.gz YJHNEZQJKVTHJC-AZGAKELHSA-N 0 3 436.600 3.973 20 0 IHADHN C[C@@H]1CCc2c(sc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)C1 ZINC001164978206 722115983 /nfs/dbraw/zinc/11/59/83/722115983.db2.gz NVSOQPZQFJSOOP-LMNJBCLMSA-N 0 3 449.624 3.938 20 0 IHADHN Clc1ccccc1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973464 722129877 /nfs/dbraw/zinc/12/98/77/722129877.db2.gz CJBOHHNPADFRCT-XXBNENTESA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cccc(Oc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164985026 722131744 /nfs/dbraw/zinc/13/17/44/722131744.db2.gz YWWPWBLIUZNSSK-SIKLNZKXSA-N 0 3 435.503 3.530 20 0 IHADHN Fc1cccc(Oc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164985025 722131895 /nfs/dbraw/zinc/13/18/95/722131895.db2.gz YWWPWBLIUZNSSK-KNQAVFIVSA-N 0 3 435.503 3.530 20 0 IHADHN Fc1cccc(F)c1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973101 722147515 /nfs/dbraw/zinc/14/75/15/722147515.db2.gz AYAHOKARESBWEU-GCJKJVERSA-N 0 3 437.494 3.544 20 0 IHADHN FC(F)(N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164975270 722156909 /nfs/dbraw/zinc/15/69/09/722156909.db2.gz QSBKRLHQQIJHCI-AZUAARDMSA-N 0 3 448.945 3.977 20 0 IHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)[nH]1 ZINC001164994111 722203473 /nfs/dbraw/zinc/20/34/73/722203473.db2.gz GCCFJCUHJJWZJY-JOCHJYFZSA-N 0 3 443.910 3.782 20 0 IHADHN Cc1ccc(C[C@@H](CO)NCc2ccc(N3CCC[C@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009516 1126156568 /nfs/dbraw/zinc/15/65/68/1126156568.db2.gz IFMBEWZEBYSZGB-SFTDATJTSA-N 0 3 428.573 3.839 20 0 IHADHN Cc1nn(C)c2nc(Cl)c(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)cc12 ZINC001308465449 1126166122 /nfs/dbraw/zinc/16/61/22/1126166122.db2.gz WRTCDDNFPHFIJM-FQEVSTJZSA-N 0 3 449.780 3.702 20 0 IHADHN Cc1ccccc1C[C@H](CO)NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115196 1126201774 /nfs/dbraw/zinc/20/17/74/1126201774.db2.gz ZZZQSIHPBXTBII-LEWJYISDSA-N 0 3 428.573 3.839 20 0 IHADHN Cc1ccccc1C[C@H](CO)NCc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115197 1126201932 /nfs/dbraw/zinc/20/19/32/1126201932.db2.gz ZZZQSIHPBXTBII-NHCUHLMSSA-N 0 3 428.573 3.839 20 0 IHADHN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CCN1CCN(c2ccccc2)CC1 ZINC000004214776 562942694 /nfs/dbraw/zinc/94/26/94/562942694.db2.gz RXAVJRAUFOPBOO-UHFFFAOYSA-N 0 3 437.540 3.727 20 0 in-man IHADHN c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4NCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164389459 718824398 /nfs/dbraw/zinc/82/43/98/718824398.db2.gz IOJWXDRHDPGVKC-RTWAWAEBSA-N 0 3 449.624 3.911 20 0 IHADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@H]3C2)c(Cl)nn1 ZINC001164390504 718826009 /nfs/dbraw/zinc/82/60/09/718826009.db2.gz PGQDFCQOBHPHAK-HOCLYGCPSA-N 0 3 448.823 3.928 20 0 IHADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@H]3C2)c(Cl)nn1 ZINC001164390506 718826296 /nfs/dbraw/zinc/82/62/96/718826296.db2.gz PGQDFCQOBHPHAK-ZBFHGGJFSA-N 0 3 448.823 3.928 20 0 IHADHN CC(C)N(C)Cc1nn([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)c2c1CCNC2 ZINC001164680228 719645199 /nfs/dbraw/zinc/64/51/99/719645199.db2.gz SOSFXEBQMRUJQX-QFIPXVFZSA-N 0 3 444.942 3.984 20 0 IHADHN O=C(c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729820 720351919 /nfs/dbraw/zinc/35/19/19/720351919.db2.gz YLHWSQOQYWDPDK-PMACEKPBSA-N 0 3 425.964 3.609 20 0 IHADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866719 721078669 /nfs/dbraw/zinc/07/86/69/721078669.db2.gz UTCMFFNJPXYZCZ-HZPDHXFCSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864926 721085456 /nfs/dbraw/zinc/08/54/56/721085456.db2.gz HNVODNLBIWBOPR-DLBZAZTESA-N 0 3 430.339 3.811 20 0 IHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164881097 721159106 /nfs/dbraw/zinc/15/91/06/721159106.db2.gz ZASNMXSUKKBVHO-UXHICEINSA-N 0 3 439.922 3.811 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772376 721196504 /nfs/dbraw/zinc/19/65/04/721196504.db2.gz UGCJOZVCZWHTRG-IRXDYDNUSA-N 0 3 442.926 3.753 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@@H]3C2)cn1 ZINC001164767006 721215261 /nfs/dbraw/zinc/21/52/61/721215261.db2.gz JWBRAVIFULROQV-ROUUACIJSA-N 0 3 426.927 3.628 20 0 IHADHN O=C(NC[C@H]1CCC[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878739 721258572 /nfs/dbraw/zinc/25/85/72/721258572.db2.gz VEWBSPJCSNWWDQ-BVAGGSTKSA-N 0 3 434.584 3.625 20 0 IHADHN CCN1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164876780 721329985 /nfs/dbraw/zinc/32/99/85/721329985.db2.gz QBRZGWAUFQBCMO-SFTDATJTSA-N 0 3 445.571 3.944 20 0 IHADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890238 721445764 /nfs/dbraw/zinc/44/57/64/721445764.db2.gz CQOYYNQJAKIGAC-MBSDFSHPSA-N 0 3 432.971 3.793 20 0 IHADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900100 721515008 /nfs/dbraw/zinc/51/50/08/721515008.db2.gz OAOPAOQQPUSGSF-UNMCSNQZSA-N 0 3 438.547 3.625 20 0 IHADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164908321 721538216 /nfs/dbraw/zinc/53/82/16/721538216.db2.gz PTKNJVMBTOMTJW-DOTOQJQBSA-N 0 3 428.895 3.773 20 0 IHADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911334 721540074 /nfs/dbraw/zinc/54/00/74/721540074.db2.gz WIBMMGZPTJMSRF-QUCCMNQESA-N 0 3 446.954 3.698 20 0 IHADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911329 721540179 /nfs/dbraw/zinc/54/01/79/721540179.db2.gz WIBMMGZPTJMSRF-AZUAARDMSA-N 0 3 446.954 3.698 20 0 IHADHN Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909211 721562150 /nfs/dbraw/zinc/56/21/50/721562150.db2.gz SYPNUVWMOMZDSQ-IFMALSPDSA-N 0 3 447.514 3.518 20 0 IHADHN CN(C)Cc1ccnc(N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 ZINC001164803842 721605688 /nfs/dbraw/zinc/60/56/88/721605688.db2.gz WNZNEVIMMPNJLU-JOCHJYFZSA-N 0 3 427.936 3.551 20 0 IHADHN COc1cccc2c1ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903638 721692568 /nfs/dbraw/zinc/69/25/68/721692568.db2.gz BBGFHNHPDDJLBM-QFIPXVFZSA-N 0 3 425.483 3.771 20 0 IHADHN COc1cc2c(cc1F)ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906459 721714813 /nfs/dbraw/zinc/71/48/13/721714813.db2.gz MBFJKLDWAHEWQC-JOCHJYFZSA-N 0 3 443.473 3.910 20 0 IHADHN CCOC(=O)c1cnc2cc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)[nH]cc1-2 ZINC001164910731 721760028 /nfs/dbraw/zinc/76/00/28/721760028.db2.gz QUIGTEONVAVVNC-UHFFFAOYSA-N 0 3 445.523 3.922 20 0 IHADHN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ncccc2CN2CCCC2)C3)n1 ZINC001164959677 722027371 /nfs/dbraw/zinc/02/73/71/722027371.db2.gz ICNWFAUQUGUYDL-AHWVRZQESA-N 0 3 436.600 3.973 20 0 IHADHN Cc1cncc(COCc2cnc3n2CCN(c2ccc(CN4CCCC4)cn2)[C@H]3C)c1 ZINC001164966437 722063352 /nfs/dbraw/zinc/06/33/52/722063352.db2.gz SVWINTRVADWZLO-FQEVSTJZSA-N 0 3 432.572 3.875 20 0 IHADHN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972426 722116630 /nfs/dbraw/zinc/11/66/30/722116630.db2.gz FEOQEWWLGSNNIM-YJBOKZPZSA-N 0 3 426.870 3.541 20 0 IHADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983377 722143196 /nfs/dbraw/zinc/14/31/96/722143196.db2.gz USSITKPTZMIKJB-YLJYHZDGSA-N 0 3 449.933 3.675 20 0 IHADHN Fc1cc2ncc(Cl)nc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980952 722146638 /nfs/dbraw/zinc/14/66/38/722146638.db2.gz OAUPTISWGLZOBL-KKSFZXQISA-N 0 3 427.911 3.545 20 0 IHADHN Fc1ccc2c(Cl)nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981668 722150248 /nfs/dbraw/zinc/15/02/48/722150248.db2.gz PYVACZFUNMQJID-OXJNMPFZSA-N 0 3 427.911 3.545 20 0 IHADHN Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971713 722153923 /nfs/dbraw/zinc/15/39/23/722153923.db2.gz DIUWGJXHQILCEF-ZJSXRUAMSA-N 0 3 433.531 3.713 20 0 IHADHN Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972732 722154545 /nfs/dbraw/zinc/15/45/45/722154545.db2.gz JEDDDJXGLRNSTA-PMACEKPBSA-N 0 3 427.980 3.828 20 0 IHADHN COC(=O)c1ccc(-c2ccc(CN[C@](C)(CO)Cc3ccc(OC)c(OC)c3)o2)cc1 ZINC001207460004 1126159828 /nfs/dbraw/zinc/15/98/28/1126159828.db2.gz QUUBUGLZYBCWAU-VWLOTQADSA-N 0 3 439.508 3.834 20 0 IHADHN COC(=O)c1ccc(-c2ccc(CN[C@@](C)(CO)Cc3ccc(OC)c(OC)c3)o2)cc1 ZINC001207459999 1126159937 /nfs/dbraw/zinc/15/99/37/1126159937.db2.gz QUUBUGLZYBCWAU-RUZDIDTESA-N 0 3 439.508 3.834 20 0 IHADHN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(I)cc1)C(F)(F)F ZINC001308040393 1126162943 /nfs/dbraw/zinc/16/29/43/1126162943.db2.gz VBNFEFGZRZWQIR-HZPDHXFCSA-N 0 3 435.227 3.915 20 0 IHADHN COc1ccc(C[C@@](C)(CO)NCc2ccnc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623916 1126241493 /nfs/dbraw/zinc/24/14/93/1126241493.db2.gz KGNAEZCXOWRDKD-QFIPXVFZSA-N 0 3 442.357 3.998 20 0 IHADHN CN1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000038845966 563098551 /nfs/dbraw/zinc/09/85/51/563098551.db2.gz ACVRIGSOUNTLCT-LBPRGKRZSA-N 0 3 428.373 3.783 20 0 IHADHN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164389142 718826704 /nfs/dbraw/zinc/82/67/04/718826704.db2.gz GVUFBUZYEQNDMZ-GDBMZVCRSA-N 0 3 448.823 3.928 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164683909 719710026 /nfs/dbraw/zinc/71/00/26/719710026.db2.gz LXZUJLYGWPZKKG-UHFFFAOYSA-N 0 3 442.778 3.771 20 0 IHADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c12 ZINC001164690824 719805790 /nfs/dbraw/zinc/80/57/90/719805790.db2.gz AGDIDXYGDWLKPB-UHFFFAOYSA-N 0 3 440.573 3.535 20 0 IHADHN COc1cc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723857 720366520 /nfs/dbraw/zinc/36/65/20/720366520.db2.gz HTGXYZLKCPEWJR-MSOLQXFVSA-N 0 3 425.920 3.549 20 0 IHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164730269 720427797 /nfs/dbraw/zinc/42/77/97/720427797.db2.gz JDQKWXHBKRPKCX-UXHICEINSA-N 0 3 437.931 3.708 20 0 IHADHN Fc1cccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2ncccc2CN2CCCC2)C3)c1 ZINC001164724774 720496745 /nfs/dbraw/zinc/49/67/45/720496745.db2.gz HFDFVMLBHMWZKH-CJFMBICVSA-N 0 3 440.563 3.541 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164745800 720725042 /nfs/dbraw/zinc/72/50/42/720725042.db2.gz VTJZSGCWVLIBEY-SFTDATJTSA-N 0 3 438.535 3.737 20 0 IHADHN Cc1nc(C2CCCCC2)cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164897711 721430270 /nfs/dbraw/zinc/43/02/70/721430270.db2.gz UNCGACTXXQSEBV-RDGATRHJSA-N 0 3 427.637 3.598 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2)n1 ZINC001164912311 721549629 /nfs/dbraw/zinc/54/96/29/721549629.db2.gz YSGNMMYEZUQMAP-UYAOXDASSA-N 0 3 437.519 3.910 20 0 IHADHN COc1cccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c21 ZINC001164913463 721726164 /nfs/dbraw/zinc/72/61/64/721726164.db2.gz VXRDTIIXWOZACU-QFIPXVFZSA-N 0 3 425.483 3.771 20 0 IHADHN CN(Cc1ccc(N2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1)C1CC1 ZINC001164928215 721899095 /nfs/dbraw/zinc/89/90/95/721899095.db2.gz MSCFNSGGQSPSKZ-SANMLTNESA-N 0 3 427.552 3.811 20 0 IHADHN FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959421 722053999 /nfs/dbraw/zinc/05/39/99/722053999.db2.gz JACXJARLJLMGGS-UHFFFAOYSA-N 0 3 438.906 3.674 20 0 IHADHN COC(=O)c1ccc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164963184 722054846 /nfs/dbraw/zinc/05/48/46/722054846.db2.gz HZHMPDPGZWJNER-UHFFFAOYSA-N 0 3 446.551 3.535 20 0 IHADHN Fc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963866 722055923 /nfs/dbraw/zinc/05/59/23/722055923.db2.gz OXLNZQAAMVKQOK-UHFFFAOYSA-N 0 3 440.897 3.933 20 0 IHADHN Clc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)n1 ZINC001164982267 722147158 /nfs/dbraw/zinc/14/71/58/722147158.db2.gz RLQJBLPANDMYBG-NHCUHLMSSA-N 0 3 435.959 3.919 20 0 IHADHN Fc1ccc(COc2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164983797 722147478 /nfs/dbraw/zinc/14/74/78/722147478.db2.gz UXZKQHOMRKTZCY-RDGATRHJSA-N 0 3 448.542 3.922 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164974657 722151895 /nfs/dbraw/zinc/15/18/95/722151895.db2.gz OUBSCWIHZBQOLD-JXFKEZNVSA-N 0 3 443.473 3.829 20 0 IHADHN Cc1cc(-c2ccccc2F)nnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973897 722154161 /nfs/dbraw/zinc/15/41/61/722154161.db2.gz NMGDSDWGXHNNLX-HYBUGGRVSA-N 0 3 433.531 3.713 20 0 IHADHN Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(CN(C)C4CC4)cn2)CC3)cs1 ZINC001165006990 722273120 /nfs/dbraw/zinc/27/31/20/722273120.db2.gz SHYZFPRZPXTTQR-OAQYLSRUSA-N 0 3 428.602 3.785 20 0 IHADHN CN(C)Cc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2c1OC(F)(F)O2 ZINC001200425785 1126156301 /nfs/dbraw/zinc/15/63/01/1126156301.db2.gz XRKBXGRYBSCGNE-LPHOPBHVSA-N 0 3 446.416 3.694 20 0 IHADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccco3)nnc2Cl)c2c1CCNC2 ZINC001164679602 719640560 /nfs/dbraw/zinc/64/05/60/719640560.db2.gz INZPNCMDVALBJE-UHFFFAOYSA-N 0 3 436.894 3.670 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164683428 719711376 /nfs/dbraw/zinc/71/13/76/719711376.db2.gz KFTGKZATLXXAGW-UHFFFAOYSA-N 0 3 426.175 3.876 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(-c4ccccc4)cc3)nn1)CC2 ZINC001164690033 719746801 /nfs/dbraw/zinc/74/68/01/719746801.db2.gz QFRDHUDHODQRDX-UHFFFAOYSA-N 0 3 441.579 3.991 20 0 IHADHN c1csc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)c1 ZINC001164741565 720658253 /nfs/dbraw/zinc/65/82/53/720658253.db2.gz UGPVODYCMZFCRN-CABCVRRESA-N 0 3 436.566 3.552 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164745794 720726718 /nfs/dbraw/zinc/72/67/18/720726718.db2.gz VTJZSGCWVLIBEY-LEWJYISDSA-N 0 3 438.535 3.737 20 0 IHADHN Fc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164737226 720764314 /nfs/dbraw/zinc/76/43/14/720764314.db2.gz BCULWHMLMMCIKL-PMACEKPBSA-N 0 3 442.498 3.568 20 0 IHADHN c1ccc(CSc2cc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164871554 721168141 /nfs/dbraw/zinc/16/81/41/721168141.db2.gz FGRSZTUIXAKXNV-FGZHOGPDSA-N 0 3 433.581 3.644 20 0 IHADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164880980 721169937 /nfs/dbraw/zinc/16/99/37/721169937.db2.gz YMOWYVHLGAAHIB-IAGOWNOFSA-N 0 3 430.339 3.811 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164875447 721174581 /nfs/dbraw/zinc/17/45/81/721174581.db2.gz LPXPISYQCWBJSQ-DLBZAZTESA-N 0 3 429.446 3.581 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccc(Cl)nn5)ccc4F)C[C@H]3C2)cn1 ZINC001164767009 721216419 /nfs/dbraw/zinc/21/64/19/721216419.db2.gz JWBRAVIFULROQV-ZWKOTPCHSA-N 0 3 426.927 3.628 20 0 IHADHN CN(Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872032 721259202 /nfs/dbraw/zinc/25/92/02/721259202.db2.gz CPMSCUXPXPVGGL-OZXSUGGESA-N 0 3 434.584 3.624 20 0 IHADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)s1 ZINC001164903600 721561624 /nfs/dbraw/zinc/56/16/24/721561624.db2.gz CWSXVIKLUDOFCG-PKOBYXMFSA-N 0 3 425.533 3.698 20 0 IHADHN Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164903907 721582621 /nfs/dbraw/zinc/58/26/21/721582621.db2.gz OZOGZJGAOHEMBS-JOCHJYFZSA-N 0 3 428.531 3.518 20 0 IHADHN COc1ccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908368 721693148 /nfs/dbraw/zinc/69/31/48/721693148.db2.gz YOAUPBJWSLCXCL-QFIPXVFZSA-N 0 3 425.483 3.771 20 0 IHADHN COC(=O)c1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905593 721702893 /nfs/dbraw/zinc/70/28/93/721702893.db2.gz KAVXOSIIXGEQHD-FQEVSTJZSA-N 0 3 436.890 3.654 20 0 IHADHN FC1(F)CCN(c2ncnc3cc(Cl)cnc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908253 721711779 /nfs/dbraw/zinc/71/17/79/721711779.db2.gz WTCINEUTGDPGDJ-FQEVSTJZSA-N 0 3 430.890 3.811 20 0 IHADHN FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966441 722061904 /nfs/dbraw/zinc/06/19/04/722061904.db2.gz SYMTVCGNWWDSHW-UHFFFAOYSA-N 0 3 438.906 3.674 20 0 IHADHN Cc1cncc(COCc2cnc3n2CCN(c2ccc(CN(C)C4CC4)cn2)[C@@H]3C)c1 ZINC001164966025 722063387 /nfs/dbraw/zinc/06/33/87/722063387.db2.gz NMZVOBOJSLGKOH-LJQANCHMSA-N 0 3 432.572 3.874 20 0 IHADHN Fc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980718 722102138 /nfs/dbraw/zinc/10/21/38/722102138.db2.gz JYXBNKNZRYQTQY-NVXWUHKLSA-N 0 3 426.870 3.541 20 0 IHADHN Cc1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164971875 722108980 /nfs/dbraw/zinc/10/89/80/722108980.db2.gz CYMONOMHBXRMTI-FUHWJXTLSA-N 0 3 429.977 3.775 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977972 722137297 /nfs/dbraw/zinc/13/72/97/722137297.db2.gz IYFICSFXAGTSBC-UYAOXDASSA-N 0 3 440.979 3.788 20 0 IHADHN Clc1cccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164974357 722141222 /nfs/dbraw/zinc/14/12/22/722141222.db2.gz DJHCNRUHVZYLFU-REWPJTCUSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1cccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164974350 722141423 /nfs/dbraw/zinc/14/14/23/722141423.db2.gz DJHCNRUHVZYLFU-NFBKMPQASA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cccc(F)c1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164973099 722147219 /nfs/dbraw/zinc/14/72/19/722147219.db2.gz AYAHOKARESBWEU-AVRDEDQJSA-N 0 3 437.494 3.544 20 0 IHADHN COC(=O)c1cc2c(OC)[nH]c(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)cc-2n1 ZINC001164995353 722199120 /nfs/dbraw/zinc/19/91/20/722199120.db2.gz UWPNNZFXAWVMOB-XMMPIXPASA-N 0 3 438.503 3.742 20 0 IHADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994861 722205784 /nfs/dbraw/zinc/20/57/84/722205784.db2.gz IZOIQXORASAEAQ-XMMPIXPASA-N 0 3 437.519 3.529 20 0 IHADHN CN(C)Cc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c2c1OC(F)(F)O2 ZINC001200425783 1126156374 /nfs/dbraw/zinc/15/63/74/1126156374.db2.gz XRKBXGRYBSCGNE-APWZRJJASA-N 0 3 446.416 3.694 20 0 IHADHN COC(=O)c1ccc(Cl)c(CN[C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001308119322 1126164451 /nfs/dbraw/zinc/16/44/51/1126164451.db2.gz ZUSHIRRBJJLOCS-IBGZPJMESA-N 0 3 426.738 3.972 20 0 IHADHN COC(OC)c1ccc(F)c(CN[C@@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001474226504 1126203052 /nfs/dbraw/zinc/20/30/52/1126203052.db2.gz DWQOLPPHKAOTHT-HXUWFJFHSA-N 0 3 426.326 3.963 20 0 IHADHN Brc1cccc2c([C@@H]3CN(c4ncccc4CN4CCCC4)CCO3)ncn21 ZINC001164418029 718890824 /nfs/dbraw/zinc/89/08/24/718890824.db2.gz NCPSDNBELQGVPX-SFHVURJKSA-N 0 3 442.361 3.666 20 0 IHADHN COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164428247 718954465 /nfs/dbraw/zinc/95/44/65/718954465.db2.gz IGCRDURXYKHNHM-XMMPIXPASA-N 0 3 448.611 3.679 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(Cl)n3)CC2)CC1 ZINC001164613764 719022015 /nfs/dbraw/zinc/02/20/15/719022015.db2.gz CMXXUKRAPUEAMS-UHFFFAOYSA-N 0 3 437.318 3.572 20 0 IHADHN O=C(c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729822 720351402 /nfs/dbraw/zinc/35/14/02/720351402.db2.gz YLHWSQOQYWDPDK-VQTJNVASSA-N 0 3 425.964 3.609 20 0 IHADHN CN(Cc1ccc(N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730189 720495329 /nfs/dbraw/zinc/49/53/29/720495329.db2.gz SSORTUNUFNGNSY-NBGIEHNGSA-N 0 3 440.563 3.539 20 0 IHADHN Clc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864927 721086532 /nfs/dbraw/zinc/08/65/32/721086532.db2.gz HNVODNLBIWBOPR-IAGOWNOFSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865800 721088120 /nfs/dbraw/zinc/08/81/20/721088120.db2.gz PPCIWUNEWKVLOD-HZPDHXFCSA-N 0 3 430.339 3.811 20 0 IHADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164876973 721138958 /nfs/dbraw/zinc/13/89/58/721138958.db2.gz NHEDKTVXLCPPIL-MOPGFXCFSA-N 0 3 435.597 3.753 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@H]3C2)cn1 ZINC001164772374 721198158 /nfs/dbraw/zinc/19/81/58/721198158.db2.gz UGCJOZVCZWHTRG-DLBZAZTESA-N 0 3 442.926 3.753 20 0 IHADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164908335 721538157 /nfs/dbraw/zinc/53/81/57/721538157.db2.gz PTKNJVMBTOMTJW-WBVHZDCISA-N 0 3 428.895 3.773 20 0 IHADHN Cc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164909213 721561631 /nfs/dbraw/zinc/56/16/31/721561631.db2.gz SYPNUVWMOMZDSQ-RBBKRZOGSA-N 0 3 447.514 3.518 20 0 IHADHN CCOC(=O)/C=C\c1cccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906607 721585631 /nfs/dbraw/zinc/58/56/31/721585631.db2.gz NQKDCKGLKBTEJS-AXKGWLQCSA-N 0 3 442.510 3.791 20 0 IHADHN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164966247 722062427 /nfs/dbraw/zinc/06/24/27/722062427.db2.gz OYOYUDGOLCIDOU-LJQANCHMSA-N 0 3 434.588 3.985 20 0 IHADHN CSc1nc2sccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164986241 722103411 /nfs/dbraw/zinc/10/34/11/722103411.db2.gz YNVOYPNEVHIZJZ-FUHWJXTLSA-N 0 3 427.599 3.536 20 0 IHADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CCCCC2 ZINC001164976660 722114059 /nfs/dbraw/zinc/11/40/59/722114059.db2.gz MAYVNGBLVUVWHL-NQIIRXRSSA-N 0 3 427.980 3.521 20 0 IHADHN Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c3c2c1 ZINC001164976985 722137316 /nfs/dbraw/zinc/13/73/16/722137316.db2.gz HMJZJZOPCKHAFF-UTKZUKDTSA-N 0 3 448.958 3.887 20 0 IHADHN Clc1cccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164974353 722141598 /nfs/dbraw/zinc/14/15/98/722141598.db2.gz DJHCNRUHVZYLFU-NZQKXSOJSA-N 0 3 435.959 3.919 20 0 IHADHN Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983275 722145450 /nfs/dbraw/zinc/14/54/50/722145450.db2.gz SXGIPLRESGPSRA-RDGATRHJSA-N 0 3 429.568 3.883 20 0 IHADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164994404 722207095 /nfs/dbraw/zinc/20/70/95/722207095.db2.gz GDVNMDVACUQPRJ-QFIPXVFZSA-N 0 3 443.910 3.782 20 0 IHADHN Cc1nn(C)c2nc(Cl)c(CN[C@](C)(CO)Cc3ccc(Br)cc3)cc12 ZINC001179277153 1126151667 /nfs/dbraw/zinc/15/16/67/1126151667.db2.gz AOMIOHCYVVFERQ-IBGZPJMESA-N 0 3 437.769 3.776 20 0 IHADHN Cn1c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)nc2ccc(Cl)cc21 ZINC001182882042 1126153142 /nfs/dbraw/zinc/15/31/42/1126153142.db2.gz PSDZQWUEXZNANW-FQEVSTJZSA-N 0 3 434.765 3.999 20 0 IHADHN COC(OC)c1ccc(F)c(CN[C@](C)(CO)Cc2ccc(Br)cc2)c1 ZINC001474226503 1126202938 /nfs/dbraw/zinc/20/29/38/1126202938.db2.gz DWQOLPPHKAOTHT-FQEVSTJZSA-N 0 3 426.326 3.963 20 0 IHADHN O[C@H]([C@@H](Cc1ccccc1)NCc1cccc(I)c1)C(F)(F)F ZINC001620789953 1126242759 /nfs/dbraw/zinc/24/27/59/1126242759.db2.gz PBRDIIDYCYJUHJ-HZPDHXFCSA-N 0 3 435.227 3.915 20 0 IHADHN c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4NCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164389455 718824602 /nfs/dbraw/zinc/82/46/02/718824602.db2.gz IOJWXDRHDPGVKC-LEWJYISDSA-N 0 3 449.624 3.911 20 0 IHADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)c(-c2ccccc2C(F)(F)F)c1 ZINC001164633809 719137333 /nfs/dbraw/zinc/13/73/33/719137333.db2.gz SWAPPUAYDLTDMV-HNNXBMFYSA-N 0 3 449.807 3.917 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)CC2 ZINC001164689660 719739838 /nfs/dbraw/zinc/73/98/38/719739838.db2.gz JZZPBNDPFWHGEF-UHFFFAOYSA-N 0 3 439.560 3.678 20 0 IHADHN c1ccc(CN2CCc3nc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)ccc3C2)cc1 ZINC001164723153 720363300 /nfs/dbraw/zinc/36/33/00/720363300.db2.gz GIBDRPDZTSMBRB-IZZNHLLZSA-N 0 3 425.580 3.888 20 0 IHADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164869531 721043404 /nfs/dbraw/zinc/04/34/04/721043404.db2.gz UCTAUAXDWMJEAQ-IRXDYDNUSA-N 0 3 430.339 3.811 20 0 IHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867266 721107202 /nfs/dbraw/zinc/10/72/02/721107202.db2.gz XOEVOSDDPZSUMR-ZWKOTPCHSA-N 0 3 444.963 3.565 20 0 IHADHN CCc1nc2sc3c(c2c(N2CCN4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCC3 ZINC001164879148 721140886 /nfs/dbraw/zinc/14/08/86/721140886.db2.gz RZASCSHSIVORCG-ROUUACIJSA-N 0 3 435.597 3.617 20 0 IHADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164880979 721170399 /nfs/dbraw/zinc/17/03/99/721170399.db2.gz YMOWYVHLGAAHIB-DLBZAZTESA-N 0 3 430.339 3.811 20 0 IHADHN COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766507 721248427 /nfs/dbraw/zinc/24/84/27/721248427.db2.gz UPDHMZOTGNDDOI-RDJZCZTQSA-N 0 3 429.927 3.728 20 0 IHADHN O=C(NC[C@@H]1CCC[C@]2(CCN(c3ncccc3CN3CCCC3)C2)O1)c1ccccc1 ZINC001164879260 721259569 /nfs/dbraw/zinc/25/95/69/721259569.db2.gz XMLNRJFJNTZTDL-JYFHCDHNSA-N 0 3 434.584 3.625 20 0 IHADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890236 721445790 /nfs/dbraw/zinc/44/57/90/721445790.db2.gz CQOYYNQJAKIGAC-FDDCHVKYSA-N 0 3 432.971 3.793 20 0 IHADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909260 721545750 /nfs/dbraw/zinc/54/57/50/721545750.db2.gz RCMIDUCICNYHMF-DOTOQJQBSA-N 0 3 430.915 3.542 20 0 IHADHN COc1cccc(Oc2cncc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164907295 721545964 /nfs/dbraw/zinc/54/59/64/721545964.db2.gz MWFPAXJNOMEYRC-GCJKJVERSA-N 0 3 436.487 3.759 20 0 IHADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909262 721546344 /nfs/dbraw/zinc/54/63/44/721546344.db2.gz RCMIDUCICNYHMF-NVXWUHKLSA-N 0 3 430.915 3.542 20 0 IHADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905824 721547986 /nfs/dbraw/zinc/54/79/86/721547986.db2.gz IPJQQQMTVUBOOV-JTHBVZDNSA-N 0 3 433.531 3.691 20 0 IHADHN FC1(F)CCN(c2nnc(Cl)c3cccnc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904351 721705584 /nfs/dbraw/zinc/70/55/84/721705584.db2.gz CBWKETORZFOPMW-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN FC1(F)CCN(c2ccnc(N3CCCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908643 721723247 /nfs/dbraw/zinc/72/32/47/721723247.db2.gz YIPQMKMRLVQFFI-QFIPXVFZSA-N 0 3 428.531 3.600 20 0 IHADHN C[C@@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913079 721731676 /nfs/dbraw/zinc/73/16/76/721731676.db2.gz SFSRCMSPARMSFT-XXBNENTESA-N 0 3 442.558 3.846 20 0 IHADHN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc(CN4CCCC4)cn2)C3)n1 ZINC001164964780 722027022 /nfs/dbraw/zinc/02/70/22/722027022.db2.gz YJHNEZQJKVTHJC-AHWVRZQESA-N 0 3 436.600 3.973 20 0 IHADHN Cc1cncc(COCc2cnc3n2CCN(c2ncccc2CN2CCCC2)[C@@H]3C)c1 ZINC001164962905 722063530 /nfs/dbraw/zinc/06/35/30/722063530.db2.gz AOQIVWLMTDXONQ-HXUWFJFHSA-N 0 3 432.572 3.875 20 0 IHADHN Fc1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981660 722103582 /nfs/dbraw/zinc/10/35/82/722103582.db2.gz LUTLSHCEIPORJU-UZLBHIALSA-N 0 3 427.911 3.545 20 0 IHADHN Fc1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977173 722104154 /nfs/dbraw/zinc/10/41/54/722104154.db2.gz DVRMVTTUIDYYNC-NVXWUHKLSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164979895 722104161 /nfs/dbraw/zinc/10/41/61/722104161.db2.gz IFWNHMBYHODYKR-REWPJTCUSA-N 0 3 435.959 3.919 20 0 IHADHN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974382 722135059 /nfs/dbraw/zinc/13/50/59/722135059.db2.gz DMCZWNMMXHZSSR-MSOLQXFVSA-N 0 3 447.917 3.884 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)n1 ZINC001164977068 722135614 /nfs/dbraw/zinc/13/56/14/722135614.db2.gz IKXZNUJXJPVJLF-NHCUHLMSSA-N 0 3 448.571 3.551 20 0 IHADHN Clc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)n1 ZINC001164982273 722146976 /nfs/dbraw/zinc/14/69/76/722146976.db2.gz RLQJBLPANDMYBG-SFTDATJTSA-N 0 3 435.959 3.919 20 0 IHADHN CCOc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984265 722148157 /nfs/dbraw/zinc/14/81/57/722148157.db2.gz XCCXMSMHIBQNFJ-RDGATRHJSA-N 0 3 445.567 3.665 20 0 IHADHN Clc1nc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C2CC2)n1 ZINC001164972615 722156607 /nfs/dbraw/zinc/15/66/07/722156607.db2.gz IRLRMWHXCWYFCS-IRXDYDNUSA-N 0 3 434.371 3.783 20 0 IHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)[nH]1 ZINC001164994112 722203273 /nfs/dbraw/zinc/20/32/73/722203273.db2.gz GCCFJCUHJJWZJY-QFIPXVFZSA-N 0 3 443.910 3.782 20 0 IHADHN COc1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)c(Cl)cc1O ZINC001474626499 1126204664 /nfs/dbraw/zinc/20/46/64/1126204664.db2.gz NCBYSLILGOAMOR-IBGZPJMESA-N 0 3 426.738 3.826 20 0 IHADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cnc(-c3c(F)cccc3F)s2)[C@@H](O)C1 ZINC001621039969 1126245330 /nfs/dbraw/zinc/24/53/30/1126245330.db2.gz GFASFNMOTQTXMT-CVEARBPZSA-N 0 3 425.501 3.548 20 0 IHADHN O=C(Cc1ccc(I)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000013470606 562987773 /nfs/dbraw/zinc/98/77/73/562987773.db2.gz ADPPMTYGDIDBNE-UHFFFAOYSA-N 0 3 434.321 3.615 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(OC)c(Cl)n3)CC2)CC1 ZINC001164617026 719028095 /nfs/dbraw/zinc/02/80/95/719028095.db2.gz JENNVBYVKXHHCJ-UHFFFAOYSA-N 0 3 431.911 3.532 20 0 IHADHN Cc1nc(CN2C(=O)CCC23CCN(c2ccc(CN(C)C4CC4)cn2)CC3)cs1 ZINC001164684647 719594828 /nfs/dbraw/zinc/59/48/28/719594828.db2.gz IRNYMMIDARFXKQ-UHFFFAOYSA-N 0 3 425.602 3.602 20 0 IHADHN CC(C)N(C)Cc1nn(C(F)(F)c2nc3ccsc3c(Cl)n2)c2c1CCNC2 ZINC001164683962 719612222 /nfs/dbraw/zinc/61/22/22/719612222.db2.gz LSFVPIWSNPNXKF-UHFFFAOYSA-N 0 3 426.924 3.625 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1ccc3cc(OCc4ccccc4)ccc3n1)CC2 ZINC001164684532 719726594 /nfs/dbraw/zinc/72/65/94/719726594.db2.gz HXVNDVLWACGLFO-UHFFFAOYSA-N 0 3 444.579 3.995 20 0 IHADHN c1csc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)c1 ZINC001164741571 720658609 /nfs/dbraw/zinc/65/86/09/720658609.db2.gz UGPVODYCMZFCRN-HUUCEWRRSA-N 0 3 436.566 3.552 20 0 IHADHN Cc1ccc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164738417 720676972 /nfs/dbraw/zinc/67/69/72/720676972.db2.gz JJGDQOGHPZGNAO-RTBURBONSA-N 0 3 444.564 3.799 20 0 IHADHN O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164845212 720747093 /nfs/dbraw/zinc/74/70/93/720747093.db2.gz XGZOSBLRVKPYRE-UHFFFAOYSA-N 0 3 447.608 3.669 20 0 IHADHN Clc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865599 721076600 /nfs/dbraw/zinc/07/66/00/721076600.db2.gz NJICIBZFEBJKBZ-NHCUHLMSSA-N 0 3 435.959 3.596 20 0 IHADHN O=C(NC[C@@H]1CCC[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)O1)c1ccccc1 ZINC001164878740 721258732 /nfs/dbraw/zinc/25/87/32/721258732.db2.gz VEWBSPJCSNWWDQ-JYFHCDHNSA-N 0 3 434.584 3.625 20 0 IHADHN CC(C)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895756 721441436 /nfs/dbraw/zinc/44/14/36/721441436.db2.gz PGPYQYHZGMLIEI-CJFMBICVSA-N 0 3 429.653 3.663 20 0 IHADHN CC(C)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895757 721441533 /nfs/dbraw/zinc/44/15/33/721441533.db2.gz PGPYQYHZGMLIEI-CPJSRVTESA-N 0 3 429.653 3.663 20 0 IHADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906724 721535978 /nfs/dbraw/zinc/53/59/78/721535978.db2.gz LCIJLIMRIGRMQF-GMAHTHKFSA-N 0 3 432.499 3.815 20 0 IHADHN Cc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1NCC1CC1 ZINC001164904414 721583054 /nfs/dbraw/zinc/58/30/54/721583054.db2.gz QBVLAGIBHAEYLF-JOCHJYFZSA-N 0 3 428.531 3.740 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3ncsc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908288 721705668 /nfs/dbraw/zinc/70/56/68/721705668.db2.gz WXHWCEIPUBCLTK-SFHVURJKSA-N 0 3 436.919 3.872 20 0 IHADHN Cc1noc(-c2cccnc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164913964 721725441 /nfs/dbraw/zinc/72/54/41/721725441.db2.gz ZRYZITVLWWHDBC-OAQYLSRUSA-N 0 3 426.471 3.573 20 0 IHADHN Cc1nc(-c2ccncc2)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912282 721729425 /nfs/dbraw/zinc/72/94/25/721729425.db2.gz NQVDPOHUVBOUSV-QHCPKHFHSA-N 0 3 436.510 3.980 20 0 IHADHN Cc1cc2c(nc(Cl)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164971876 722109107 /nfs/dbraw/zinc/10/91/07/722109107.db2.gz CYMONOMHBXRMTI-SJLPKXTDSA-N 0 3 429.977 3.775 20 0 IHADHN Clc1ccc2[nH]c3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3c2c1 ZINC001164976979 722136430 /nfs/dbraw/zinc/13/64/30/722136430.db2.gz HMJZJZOPCKHAFF-DYESRHJHSA-N 0 3 448.958 3.887 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977970 722136916 /nfs/dbraw/zinc/13/69/16/722136916.db2.gz IYFICSFXAGTSBC-QUCCMNQESA-N 0 3 440.979 3.788 20 0 IHADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977015 722139753 /nfs/dbraw/zinc/13/97/53/722139753.db2.gz HNLZJEPFTVWVPC-RTBURBONSA-N 0 3 429.996 3.858 20 0 IHADHN CCc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164977092 722147327 /nfs/dbraw/zinc/14/73/27/722147327.db2.gz IROJPPLRCFYWOQ-NOZRDPDXSA-N 0 3 429.568 3.828 20 0 IHADHN c1ccc(SCc2nccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164973257 722154492 /nfs/dbraw/zinc/15/44/92/722154492.db2.gz LWFDRKBMLPVZPH-GGAORHGYSA-N 0 3 447.608 3.891 20 0 IHADHN Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972739 722155000 /nfs/dbraw/zinc/15/50/00/722155000.db2.gz JEDDDJXGLRNSTA-WOJBJXKFSA-N 0 3 427.980 3.828 20 0 IHADHN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975298 722158786 /nfs/dbraw/zinc/15/87/86/722158786.db2.gz RPQGSBXPHICOFZ-UWJYYQICSA-N 0 3 448.945 3.891 20 0 IHADHN COc1ccc(C[C@@](C)(CO)NCc2cc(OC)c(Br)cc2F)cc1OC ZINC001203579019 1126158869 /nfs/dbraw/zinc/15/88/69/1126158869.db2.gz BWZSGSHARSBANT-FQEVSTJZSA-N 0 3 442.325 3.697 20 0 IHADHN Cc1c([O-])ccc2c(C[NH2+][C@@](C)(CO)Cc3ccc(Br)cc3)cc(=O)oc12 ZINC001460859360 1126192471 /nfs/dbraw/zinc/19/24/71/1126192471.db2.gz CPYKVTRWMDMCCU-OAQYLSRUSA-N 0 3 432.314 3.653 20 0 IHADHN O[C@H]([C@H](Cc1ccccc1)NCc1cccc(I)c1)C(F)(F)F ZINC001620789954 1126242753 /nfs/dbraw/zinc/24/27/53/1126242753.db2.gz PBRDIIDYCYJUHJ-JKSUJKDBSA-N 0 3 435.227 3.915 20 0 IHADHN COc1ccc2c(c1)c(CC(=O)NCCN(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000084731123 563178548 /nfs/dbraw/zinc/17/85/48/563178548.db2.gz XPZRWGLHKJYWCD-UHFFFAOYSA-N 0 3 427.932 3.521 20 0 IHADHN Clc1nnc(Cl)c(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1N1CCOCC1 ZINC001164627437 719114004 /nfs/dbraw/zinc/11/40/04/719114004.db2.gz KLKOCBPGJFKXNA-ROUUACIJSA-N 0 3 448.398 3.721 20 0 IHADHN CN(C)Cc1ccnc(N2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)c1 ZINC001164696751 719881402 /nfs/dbraw/zinc/88/14/02/719881402.db2.gz AZPGXWZRVOKJFI-UHFFFAOYSA-N 0 3 427.556 3.871 20 0 IHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164726737 720351943 /nfs/dbraw/zinc/35/19/43/720351943.db2.gz ROMIAEWIPGOWMF-VXKWHMMOSA-N 0 3 447.970 3.913 20 0 IHADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164722657 720358707 /nfs/dbraw/zinc/35/87/07/720358707.db2.gz GEXDBJUTIISQED-UXHICEINSA-N 0 3 445.958 3.776 20 0 IHADHN c1ccc(CN2CCc3nc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)ccc3C2)cc1 ZINC001164723151 720362035 /nfs/dbraw/zinc/36/20/35/720362035.db2.gz GIBDRPDZTSMBRB-FTJBHMTQSA-N 0 3 425.580 3.888 20 0 IHADHN Fc1cccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2ccc(CN4CCCC4)cn2)C3)c1 ZINC001164726371 720495131 /nfs/dbraw/zinc/49/51/31/720495131.db2.gz LMPNLYGSCYVYFY-SQJMNOBHSA-N 0 3 440.563 3.541 20 0 IHADHN CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835158 720583824 /nfs/dbraw/zinc/58/38/24/720583824.db2.gz AEIHOZZGMVIGAS-SOUVJXGZSA-N 0 3 442.967 3.538 20 0 IHADHN CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835158 720583831 /nfs/dbraw/zinc/58/38/31/720583831.db2.gz AEIHOZZGMVIGAS-SOUVJXGZSA-N 0 3 442.967 3.538 20 0 IHADHN c1nc(CNC2CCC2)c2n1CCCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001164838871 720736685 /nfs/dbraw/zinc/73/66/85/720736685.db2.gz YUDIKNICMQNMAB-UHFFFAOYSA-N 0 3 442.611 3.889 20 0 IHADHN O=C(NCc1ccccc1)c1nc2c(s1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164844741 720745808 /nfs/dbraw/zinc/74/58/08/720745808.db2.gz SWDYVXXRYZWURP-UHFFFAOYSA-N 0 3 447.608 3.669 20 0 IHADHN Clc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cc2ccccc2)n1 ZINC001164865600 721076391 /nfs/dbraw/zinc/07/63/91/721076391.db2.gz NJICIBZFEBJKBZ-RTWAWAEBSA-N 0 3 435.959 3.596 20 0 IHADHN Clc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1Cl ZINC001164866177 721119040 /nfs/dbraw/zinc/11/90/40/721119040.db2.gz RPYZIWWIKVYXQE-JKSUJKDBSA-N 0 3 430.339 3.811 20 0 IHADHN Cc1nc2sc3c(c2c(N2CCN4C[C@@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164876974 721138913 /nfs/dbraw/zinc/13/89/13/721138913.db2.gz NHEDKTVXLCPPIL-OALUTQOASA-N 0 3 435.597 3.753 20 0 IHADHN c1ccc(CSc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164871570 721173654 /nfs/dbraw/zinc/17/36/54/721173654.db2.gz FLNCYUPSKUKEQV-FGZHOGPDSA-N 0 3 433.581 3.644 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164768612 721190202 /nfs/dbraw/zinc/19/02/02/721190202.db2.gz LKEWIXLTUWRWFM-GOTSBHOMSA-N 0 3 438.579 3.912 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@@H]3C2)cn1 ZINC001164768618 721190238 /nfs/dbraw/zinc/19/02/38/721190238.db2.gz LKEWIXLTUWRWFM-PKTZIBPZSA-N 0 3 438.579 3.912 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(F)ccc4Oc4ccc(Cl)nn4)C[C@@H]3C2)cn1 ZINC001164772377 721197630 /nfs/dbraw/zinc/19/76/30/721197630.db2.gz UGCJOZVCZWHTRG-SJORKVTESA-N 0 3 442.926 3.753 20 0 IHADHN COc1cc2c(cc1F)cc(Cl)nc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766499 721248483 /nfs/dbraw/zinc/24/84/83/721248483.db2.gz UPDHMZOTGNDDOI-DOTOQJQBSA-N 0 3 429.927 3.728 20 0 IHADHN CC(C)c1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894866 721441279 /nfs/dbraw/zinc/44/12/79/721441279.db2.gz MTAMQYJBSLLIQG-NBGIEHNGSA-N 0 3 429.653 3.663 20 0 IHADHN CNC(=O)N[C@H]1CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccc(C)cc21 ZINC001164897178 721493069 /nfs/dbraw/zinc/49/30/69/721493069.db2.gz BXATWGSBKGGLDW-QHCPKHFHSA-N 0 3 433.600 3.898 20 0 IHADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906353 721540272 /nfs/dbraw/zinc/54/02/72/721540272.db2.gz KCDJRHVYGYKTHC-HKUYNNGSSA-N 0 3 446.954 3.744 20 0 IHADHN FC1(F)CCN(c2ccc(N3CCCCC3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164903381 721583380 /nfs/dbraw/zinc/58/33/80/721583380.db2.gz MUKDXKXYEWSFAT-JOCHJYFZSA-N 0 3 428.531 3.600 20 0 IHADHN Fc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164905053 721584269 /nfs/dbraw/zinc/58/42/69/721584269.db2.gz RWDDEHRQRGDJHS-IBGZPJMESA-N 0 3 436.869 3.883 20 0 IHADHN COc1cccc2c1ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903635 721692532 /nfs/dbraw/zinc/69/25/32/721692532.db2.gz BBGFHNHPDDJLBM-JOCHJYFZSA-N 0 3 425.483 3.771 20 0 IHADHN CCOC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(C)c1 ZINC001164907014 721695213 /nfs/dbraw/zinc/69/52/13/721695213.db2.gz QGUKNHQGMQSTFM-JOCHJYFZSA-N 0 3 430.499 3.699 20 0 IHADHN FC1(F)CCN(c2cncc(N3CCCCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164909103 721732453 /nfs/dbraw/zinc/73/24/53/721732453.db2.gz BGRLCNJJQWECDH-QHCPKHFHSA-N 0 3 442.558 3.990 20 0 IHADHN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(c2ccc(CN(C)C4CC4)cn2)C3)n1 ZINC001164959836 722027492 /nfs/dbraw/zinc/02/74/92/722027492.db2.gz IYTDQPTZBGDZMJ-AHWVRZQESA-N 0 3 436.600 3.972 20 0 IHADHN Clc1cc(-c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2)ccn1 ZINC001164986557 722106936 /nfs/dbraw/zinc/10/69/36/722106936.db2.gz ZHJGNTFBTZTLPW-FCHUYYIVSA-N 0 3 435.959 3.919 20 0 IHADHN Cc1nc2sc3c(c2c(N2CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C2)n1)CCC3 ZINC001164983808 722139103 /nfs/dbraw/zinc/13/91/03/722139103.db2.gz VFBVSARZKJGMSB-ICSRJNTNSA-N 0 3 435.597 3.611 20 0 IHADHN CCN(c1ccccc1)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164973175 722149219 /nfs/dbraw/zinc/14/92/19/722149219.db2.gz BIZWWDOPEXKWFK-LADGPHEKSA-N 0 3 444.583 3.757 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164974662 722151874 /nfs/dbraw/zinc/15/18/74/722151874.db2.gz OUBSCWIHZBQOLD-OXJNMPFZSA-N 0 3 443.473 3.829 20 0 IHADHN Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971657 722153688 /nfs/dbraw/zinc/15/36/88/722153688.db2.gz CNHGMVMJGSEIKN-WOJBJXKFSA-N 0 3 429.996 3.759 20 0 IHADHN Clc1nc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(C2CC2)n1 ZINC001164972612 722156485 /nfs/dbraw/zinc/15/64/85/722156485.db2.gz IRLRMWHXCWYFCS-IAGOWNOFSA-N 0 3 434.371 3.783 20 0 IHADHN CC(C)(C)OC(=O)C1CCN(c2ccc(CN[C@H](CO)Cc3ccc(F)cc3)o2)CC1 ZINC001205608350 1126159398 /nfs/dbraw/zinc/15/93/98/1126159398.db2.gz CDJPBSSRAAOXBM-FQEVSTJZSA-N 0 3 432.536 3.670 20 0 IHADHN CN(C)c1nc(Cl)c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001308863452 1126168680 /nfs/dbraw/zinc/16/86/80/1126168680.db2.gz BQBINODMRIGVCA-KRWDZBQOSA-N 0 3 430.799 3.635 20 0 IHADHN Cc1ccc(C[C@H](CO)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1C ZINC001474169238 1126202125 /nfs/dbraw/zinc/20/21/25/1126202125.db2.gz AQSZECDSDVNUQV-OAQYLSRUSA-N 0 3 443.588 3.647 20 0 IHADHN OC[C@@]1(NCc2ccc(Br)cn2)CCc2cc(Br)ccc2C1 ZINC001560532719 1126211770 /nfs/dbraw/zinc/21/17/70/1126211770.db2.gz UBNVDDJRERENSE-QGZVFWFLSA-N 0 3 426.152 3.616 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)CC1 ZINC001164614335 719022267 /nfs/dbraw/zinc/02/22/67/719022267.db2.gz RKANOBZEVVWFTI-UHFFFAOYSA-N 0 3 437.318 3.572 20 0 IHADHN C[C@H]1CN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)[C@@H](C)CN1C ZINC000508368886 719236451 /nfs/dbraw/zinc/23/64/51/719236451.db2.gz CXZLZKHPHILPGH-ROUUACIJSA-N 0 3 437.613 3.719 20 0 IHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164727583 720434949 /nfs/dbraw/zinc/43/49/49/720434949.db2.gz DLSZXLFWXDTWLU-QZTJIDSGSA-N 0 3 437.569 3.733 20 0 IHADHN Clc1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164869532 721043650 /nfs/dbraw/zinc/04/36/50/721043650.db2.gz UCTAUAXDWMJEAQ-SJORKVTESA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c12 ZINC001164865798 721087951 /nfs/dbraw/zinc/08/79/51/721087951.db2.gz PPCIWUNEWKVLOD-CVEARBPZSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cc(Cc2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866180 721121070 /nfs/dbraw/zinc/12/10/70/721121070.db2.gz RQWZKYPDXUBWMG-VXKWHMMOSA-N 0 3 435.959 3.596 20 0 IHADHN COc1cc2c(cc1F)cc(Cl)nc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766503 721249204 /nfs/dbraw/zinc/24/92/04/721249204.db2.gz UPDHMZOTGNDDOI-NVXWUHKLSA-N 0 3 429.927 3.728 20 0 IHADHN Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164897715 721430222 /nfs/dbraw/zinc/43/02/22/721430222.db2.gz UNCGACTXXQSEBV-WIOPSUGQSA-N 0 3 427.637 3.598 20 0 IHADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890237 721445712 /nfs/dbraw/zinc/44/57/12/721445712.db2.gz CQOYYNQJAKIGAC-JPYJTQIMSA-N 0 3 432.971 3.793 20 0 IHADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900098 721515468 /nfs/dbraw/zinc/51/54/68/721515468.db2.gz OAOPAOQQPUSGSF-IRLDBZIGSA-N 0 3 438.547 3.625 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CCN3C2)c1 ZINC001164911942 721539516 /nfs/dbraw/zinc/53/95/16/721539516.db2.gz XPLRLEUPOJAHAH-FPOVZHCZSA-N 0 3 430.955 3.812 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CCN3C2)c1 ZINC001164911940 721540246 /nfs/dbraw/zinc/54/02/46/721540246.db2.gz XPLRLEUPOJAHAH-CTNGQTDRSA-N 0 3 430.955 3.812 20 0 IHADHN COc1cccc(Oc2cncc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)c1 ZINC001164907298 721545865 /nfs/dbraw/zinc/54/58/65/721545865.db2.gz MWFPAXJNOMEYRC-XMSQKQJNSA-N 0 3 436.487 3.759 20 0 IHADHN Fc1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164905058 721584116 /nfs/dbraw/zinc/58/41/16/721584116.db2.gz RWDDEHRQRGDJHS-LJQANCHMSA-N 0 3 436.869 3.883 20 0 IHADHN COC(=O)c1c(C)cc(C)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908453 721702974 /nfs/dbraw/zinc/70/29/74/721702974.db2.gz ZHEIYYUJIRWMFW-JOCHJYFZSA-N 0 3 430.499 3.618 20 0 IHADHN CC(C)(C)NC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164906823 721718117 /nfs/dbraw/zinc/71/81/17/721718117.db2.gz ONZDCGREDIHKDX-QHCPKHFHSA-N 0 3 443.542 3.743 20 0 IHADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccncc2)n1 ZINC001164908082 721723075 /nfs/dbraw/zinc/72/30/75/721723075.db2.gz VHHFDBWETXPXHJ-HSZRJFAPSA-N 0 3 436.510 3.980 20 0 IHADHN C[C@H]1CCCN(c2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ncn2)C1 ZINC001164913077 721731034 /nfs/dbraw/zinc/73/10/34/721731034.db2.gz SFSRCMSPARMSFT-CVDCTZTESA-N 0 3 442.558 3.846 20 0 IHADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165056208 722017620 /nfs/dbraw/zinc/01/76/20/722017620.db2.gz ZWAULNBNIZHMHB-UHFFFAOYSA-N 0 3 438.645 3.910 20 0 IHADHN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(c2ccc(CN4CCCC4)cn2)C3)n1 ZINC001164964782 722027207 /nfs/dbraw/zinc/02/72/07/722027207.db2.gz YJHNEZQJKVTHJC-AOYPEHQESA-N 0 3 436.600 3.973 20 0 IHADHN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(c2ccc(CN(C)C4CC4)cn2)C3)n1 ZINC001164959845 722027474 /nfs/dbraw/zinc/02/74/74/722027474.db2.gz IYTDQPTZBGDZMJ-AZGAKELHSA-N 0 3 436.600 3.972 20 0 IHADHN FC(F)(Oc1cccc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962338 722054448 /nfs/dbraw/zinc/05/44/48/722054448.db2.gz DCGWYDXHRYATHY-UHFFFAOYSA-N 0 3 438.906 3.674 20 0 IHADHN Fc1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981654 722103386 /nfs/dbraw/zinc/10/33/86/722103386.db2.gz LUTLSHCEIPORJU-OXJNMPFZSA-N 0 3 427.911 3.545 20 0 IHADHN Fc1ccc(Cl)nc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974082 722115535 /nfs/dbraw/zinc/11/55/35/722115535.db2.gz ILADKVDEGPLJTI-DOTOQJQBSA-N 0 3 426.870 3.541 20 0 IHADHN C[C@@H]1CCc2c(sc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c23)C1 ZINC001164978208 722115587 /nfs/dbraw/zinc/11/55/87/722115587.db2.gz NVSOQPZQFJSOOP-QFUCXCTJSA-N 0 3 449.624 3.938 20 0 IHADHN Fc1cnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972424 722116527 /nfs/dbraw/zinc/11/65/27/722116527.db2.gz FEOQEWWLGSNNIM-MAUKXSAKSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1cccc(-c2cccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164983235 722119294 /nfs/dbraw/zinc/11/92/94/722119294.db2.gz YRMBKHAGSYDUTJ-DENIHFKCSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1ccccc1-c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973461 722129824 /nfs/dbraw/zinc/12/98/24/722129824.db2.gz CJBOHHNPADFRCT-WMZHIEFXSA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cc2ncnc(Cl)c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982198 722135794 /nfs/dbraw/zinc/13/57/94/722135794.db2.gz RIMKNBJCUFJTFL-OXQOHEQNSA-N 0 3 427.911 3.545 20 0 IHADHN Clc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)n1 ZINC001164982271 722147523 /nfs/dbraw/zinc/14/75/23/722147523.db2.gz RLQJBLPANDMYBG-RTWAWAEBSA-N 0 3 435.959 3.919 20 0 IHADHN CCN(c1ccccc1)c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164973181 722149529 /nfs/dbraw/zinc/14/95/29/722149529.db2.gz BIZWWDOPEXKWFK-VWNXMTODSA-N 0 3 444.583 3.757 20 0 IHADHN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164389145 718826725 /nfs/dbraw/zinc/82/67/25/718826725.db2.gz GVUFBUZYEQNDMZ-ZBFHGGJFSA-N 0 3 448.823 3.928 20 0 IHADHN Brc1cccc2c([C@H]3CN(c4ncccc4CN4CCCC4)CCO3)ncn21 ZINC001164418028 718891186 /nfs/dbraw/zinc/89/11/86/718891186.db2.gz NCPSDNBELQGVPX-GOSISDBHSA-N 0 3 442.361 3.666 20 0 IHADHN c1cncc(OCc2nn(CC3CC3)c3c2CN(c2ncccc2CN2CCCC2)CC3)c1 ZINC001164656288 719323396 /nfs/dbraw/zinc/32/33/96/719323396.db2.gz WBLPPFVVWOYVRZ-UHFFFAOYSA-N 0 3 444.583 3.821 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccccc3Cl)nc(C)c1C)CC2 ZINC001164689874 719746737 /nfs/dbraw/zinc/74/67/37/719746737.db2.gz NCFIUIQYDFGPEV-UHFFFAOYSA-N 0 3 427.980 3.595 20 0 IHADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722659 720359228 /nfs/dbraw/zinc/35/92/28/720359228.db2.gz GEXDBJUTIISQED-WOJBJXKFSA-N 0 3 445.958 3.776 20 0 IHADHN c1ccc(CN2CCc3nc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)ccc3C2)cc1 ZINC001164723149 720362728 /nfs/dbraw/zinc/36/27/28/720362728.db2.gz GIBDRPDZTSMBRB-CLJLJLNGSA-N 0 3 425.580 3.888 20 0 IHADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725903 720376839 /nfs/dbraw/zinc/37/68/39/720376839.db2.gz ODGHPWBHAZKJOO-MOPGFXCFSA-N 0 3 437.931 3.708 20 0 IHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164725397 720393904 /nfs/dbraw/zinc/39/39/04/720393904.db2.gz NFNHDCMAVNAZSA-XZOQPEGZSA-N 0 3 428.515 3.867 20 0 IHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164727587 720434224 /nfs/dbraw/zinc/43/42/24/720434224.db2.gz DLSZXLFWXDTWLU-ROUUACIJSA-N 0 3 437.569 3.733 20 0 IHADHN CN(Cc1ccc(N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)nc1)C1CC1 ZINC001164730187 720495287 /nfs/dbraw/zinc/49/52/87/720495287.db2.gz SSORTUNUFNGNSY-CPJSRVTESA-N 0 3 440.563 3.539 20 0 IHADHN CC(C)[N@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835157 720582162 /nfs/dbraw/zinc/58/21/62/720582162.db2.gz AEIHOZZGMVIGAS-QLFBSQMISA-N 0 3 442.967 3.538 20 0 IHADHN CC(C)[N@@H+]1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835157 720582176 /nfs/dbraw/zinc/58/21/76/720582176.db2.gz AEIHOZZGMVIGAS-QLFBSQMISA-N 0 3 442.967 3.538 20 0 IHADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843968 720739949 /nfs/dbraw/zinc/73/99/49/720739949.db2.gz NFEYRFBHZILBSP-UHFFFAOYSA-N 0 3 449.893 3.579 20 0 IHADHN Cc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164740468 720756696 /nfs/dbraw/zinc/75/66/96/720756696.db2.gz LJFVQHMIJKJOJZ-LEWJYISDSA-N 0 3 438.535 3.737 20 0 IHADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746733 720802138 /nfs/dbraw/zinc/80/21/38/720802138.db2.gz MWKCPVUMLXXPRJ-LSDHHAIUSA-N 0 3 431.874 3.607 20 0 IHADHN Clc1cc2c(Cl)ccnc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865182 721083704 /nfs/dbraw/zinc/08/37/04/721083704.db2.gz JLCFOWLQEXYGRA-CVEARBPZSA-N 0 3 430.339 3.811 20 0 IHADHN COc1ccc2c(ccnc2N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1 ZINC001164777738 721340852 /nfs/dbraw/zinc/34/08/52/721340852.db2.gz HQXFVCPNXGXHMS-VWLOTQADSA-N 0 3 436.556 3.967 20 0 IHADHN CC(C)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(C(C)(C)C)n1 ZINC001164895759 721441530 /nfs/dbraw/zinc/44/15/30/721441530.db2.gz PGPYQYHZGMLIEI-NLFFAJNJSA-N 0 3 429.653 3.663 20 0 IHADHN CNC(=O)N[C@@H]1CC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)c2ccc(C)cc21 ZINC001164898839 721492480 /nfs/dbraw/zinc/49/24/80/721492480.db2.gz IIPFPEBDKPINEG-HSZRJFAPSA-N 0 3 433.600 3.898 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)ccc4CN4CCCC4)CCN3C2)c1 ZINC001164911946 721539820 /nfs/dbraw/zinc/53/98/20/721539820.db2.gz XPLRLEUPOJAHAH-TZIWHRDSSA-N 0 3 430.955 3.812 20 0 IHADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)C1CC1 ZINC001164911270 721550858 /nfs/dbraw/zinc/55/08/58/721550858.db2.gz YMXSYHNTPSTZJM-WWNPGLIZSA-N 0 3 439.531 3.619 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164908654 721561170 /nfs/dbraw/zinc/56/11/70/721561170.db2.gz RKJITXGOXGMAAB-PZJWPPBQSA-N 0 3 431.515 3.508 20 0 IHADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)s1 ZINC001164903598 721562208 /nfs/dbraw/zinc/56/22/08/721562208.db2.gz CWSXVIKLUDOFCG-IEBWSBKVSA-N 0 3 425.533 3.698 20 0 IHADHN CCOC(=O)c1cc(C)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908014 721691654 /nfs/dbraw/zinc/69/16/54/721691654.db2.gz YACQGCUHPFRXBC-QFIPXVFZSA-N 0 3 430.499 3.699 20 0 IHADHN COc1cc2cnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc2cc1OC ZINC001164960031 722060468 /nfs/dbraw/zinc/06/04/68/722060468.db2.gz DLPPMEKMJFVHDL-UHFFFAOYSA-N 0 3 448.567 3.766 20 0 IHADHN COc1cc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc2c(OC)c1 ZINC001164966627 722062186 /nfs/dbraw/zinc/06/21/86/722062186.db2.gz WBEHGAKGAJKFOR-UHFFFAOYSA-N 0 3 448.567 3.766 20 0 IHADHN c1cc2c(nc(C3CCC3)nc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)[nH]1 ZINC001164966436 722062408 /nfs/dbraw/zinc/06/24/08/722062408.db2.gz STJHNERHKQNIHY-UHFFFAOYSA-N 0 3 432.572 3.739 20 0 IHADHN Fc1cccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979081 722112030 /nfs/dbraw/zinc/11/20/30/722112030.db2.gz OVEZCMFCTBVJKU-LPHOPBHVSA-N 0 3 427.911 3.545 20 0 IHADHN Clc1cccc(-c2cccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)n1 ZINC001164983240 722119045 /nfs/dbraw/zinc/11/90/45/722119045.db2.gz YRMBKHAGSYDUTJ-UGKGYDQZSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(-c2ccccc2)nn1 ZINC001164974941 722119378 /nfs/dbraw/zinc/11/93/78/722119378.db2.gz JDCXVOVTFKSODJ-IRLDBZIGSA-N 0 3 435.959 3.919 20 0 IHADHN c1ccc(COc2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164980361 722138978 /nfs/dbraw/zinc/13/89/78/722138978.db2.gz NEWMOPWEBAHPAD-ZCYQVOJMSA-N 0 3 430.552 3.783 20 0 IHADHN Cc1ccc(C)c(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c1 ZINC001164983276 722145660 /nfs/dbraw/zinc/14/56/60/722145660.db2.gz SXGIPLRESGPSRA-WIOPSUGQSA-N 0 3 429.568 3.883 20 0 IHADHN Fc1ccc(COc2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164983796 722147245 /nfs/dbraw/zinc/14/72/45/722147245.db2.gz UXZKQHOMRKTZCY-RCZVLFRGSA-N 0 3 448.542 3.922 20 0 IHADHN c1ccc(CSc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)cc1 ZINC001164985449 722149701 /nfs/dbraw/zinc/14/97/01/722149701.db2.gz ZNJRUWMAGVCANO-DHIUTWEWSA-N 0 3 447.608 3.891 20 0 IHADHN Cc1c(Cl)nc(CC(C)C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971655 722153142 /nfs/dbraw/zinc/15/31/42/722153142.db2.gz CNHGMVMJGSEIKN-VQTJNVASSA-N 0 3 429.996 3.759 20 0 IHADHN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975295 722158838 /nfs/dbraw/zinc/15/88/38/722158838.db2.gz RPQGSBXPHICOFZ-DYESRHJHSA-N 0 3 448.945 3.891 20 0 IHADHN COc1c(Br)cc(Br)cc1CN[C@@H](CO)Cc1ccccc1 ZINC000389754857 1126080258 /nfs/dbraw/zinc/08/02/58/1126080258.db2.gz NMXMWTRXRHRVPD-OAHLLOKOSA-N 0 3 429.152 3.913 20 0 IHADHN COC(=O)c1ccccc1-c1ccc(CN[C@](C)(CO)Cc2ccc(OC)c(OC)c2)o1 ZINC001183684690 1126153354 /nfs/dbraw/zinc/15/33/54/1126153354.db2.gz GMWZPFCWHCLXFD-VWLOTQADSA-N 0 3 439.508 3.834 20 0 IHADHN COc1ccc(OC[C@H](O)CN2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000038309271 563097351 /nfs/dbraw/zinc/09/73/51/563097351.db2.gz WLSUHIWUCZVUGX-QGZVFWFLSA-N 0 3 425.447 3.997 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)nc3Cl)CC2)CC1 ZINC001164614215 719021646 /nfs/dbraw/zinc/02/16/46/719021646.db2.gz PUMKNMDXXKLHMJ-UHFFFAOYSA-N 0 3 437.318 3.572 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(C)c(C)c(Cl)n3)CC2)CC1 ZINC001164616411 719028517 /nfs/dbraw/zinc/02/85/17/719028517.db2.gz DDLXBYYCABSIEX-UHFFFAOYSA-N 0 3 430.927 3.536 20 0 IHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCCC(=O)CC3)c21 ZINC001164650332 719286471 /nfs/dbraw/zinc/28/64/71/719286471.db2.gz YZWZCAFLYNTGTJ-UHFFFAOYSA-N 0 3 439.943 3.956 20 0 IHADHN c1cncc(OCc2nn(CC3CC3)c3c2CN(c2ccc(CN4CCCC4)cn2)CC3)c1 ZINC001164653339 719323399 /nfs/dbraw/zinc/32/33/99/719323399.db2.gz HNZSXYURCMNZOY-UHFFFAOYSA-N 0 3 444.583 3.821 20 0 IHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164725394 720394210 /nfs/dbraw/zinc/39/42/10/720394210.db2.gz NFNHDCMAVNAZSA-DHIUTWEWSA-N 0 3 428.515 3.867 20 0 IHADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c2[nH]cnc21 ZINC001164733603 720428229 /nfs/dbraw/zinc/42/82/29/720428229.db2.gz PYFRQYBBNLVEEY-QZTJIDSGSA-N 0 3 435.532 3.553 20 0 IHADHN Cc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1 ZINC001164740485 720756186 /nfs/dbraw/zinc/75/61/86/720756186.db2.gz LJFVQHMIJKJOJZ-SFTDATJTSA-N 0 3 438.535 3.737 20 0 IHADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749212 720787172 /nfs/dbraw/zinc/78/71/72/720787172.db2.gz SEKOERJYIPBKIM-MSOLQXFVSA-N 0 3 436.947 3.546 20 0 IHADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874478 721163506 /nfs/dbraw/zinc/16/35/06/721163506.db2.gz KCCZMJPLFXIWFQ-MOPGFXCFSA-N 0 3 439.922 3.811 20 0 IHADHN Cn1cc(CN2CC[C@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164768624 721191135 /nfs/dbraw/zinc/19/11/35/721191135.db2.gz LKEWIXLTUWRWFM-XZOQPEGZSA-N 0 3 438.579 3.912 20 0 IHADHN COCc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164897072 721514389 /nfs/dbraw/zinc/51/43/89/721514389.db2.gz DNHYSTOGWVGBDA-GGAORHGYSA-N 0 3 434.515 3.771 20 0 IHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nccnc4C4SCCCS4)CCN3C2)c1 ZINC001164901041 721525261 /nfs/dbraw/zinc/52/52/61/721525261.db2.gz WDQNNLYGJRGUND-WMZOPIPTSA-N 0 3 432.590 3.826 20 0 IHADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164911103 721550834 /nfs/dbraw/zinc/55/08/34/721550834.db2.gz YMXSYHNTPSTZJM-MZYLBHOOSA-N 0 3 439.531 3.619 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164909645 721560865 /nfs/dbraw/zinc/56/08/65/721560865.db2.gz UMHGQWCYJUIWJW-TZIWHRDSSA-N 0 3 431.515 3.508 20 0 IHADHN CCOC(=O)c1ccc(C)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905768 721583654 /nfs/dbraw/zinc/58/36/54/721583654.db2.gz WSXZEHAMFXQFNB-QFIPXVFZSA-N 0 3 430.499 3.699 20 0 IHADHN COC(=O)c1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1Cl ZINC001164905596 721702653 /nfs/dbraw/zinc/70/26/53/721702653.db2.gz KAVXOSIIXGEQHD-HXUWFJFHSA-N 0 3 436.890 3.654 20 0 IHADHN CC(C)(C)NC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164906045 721705901 /nfs/dbraw/zinc/70/59/01/721705901.db2.gz JNATZANOLXTDNB-QHCPKHFHSA-N 0 3 443.542 3.743 20 0 IHADHN CSc1nc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2s1 ZINC001164904835 721716129 /nfs/dbraw/zinc/71/61/29/721716129.db2.gz DHGCLOZXDDUXLQ-IBGZPJMESA-N 0 3 448.568 3.941 20 0 IHADHN CN(C)Cc1ccnc(N2C[C@@H](c3ccccc3)[C@@]3(CCN(c4cccnc4)C3=O)C2)c1 ZINC001164911860 721742704 /nfs/dbraw/zinc/74/27/04/721742704.db2.gz LOMNRDSGQMAZPX-JYFHCDHNSA-N 0 3 427.552 3.565 20 0 IHADHN c1ccc(-c2ncc3c(n2)[C@@]2(CCN(c4ccc(CN5CCCC5)cn4)C2)COC3)cc1 ZINC001164927153 721899207 /nfs/dbraw/zinc/89/92/07/721899207.db2.gz GYXYHWDULXYUBK-AREMUKBSSA-N 0 3 427.552 3.813 20 0 IHADHN Cc1cncc(COCc2cnc3n2CCN(c2ccc(CN(C)C4CC4)cn2)[C@H]3C)c1 ZINC001164966024 722063505 /nfs/dbraw/zinc/06/35/05/722063505.db2.gz NMZVOBOJSLGKOH-IBGZPJMESA-N 0 3 432.572 3.874 20 0 IHADHN Cc1cc2c(nc(Cl)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164971877 722109347 /nfs/dbraw/zinc/10/93/47/722109347.db2.gz CYMONOMHBXRMTI-WMZOPIPTSA-N 0 3 429.977 3.775 20 0 IHADHN c1cn(C2CCCC2)c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164971377 722122043 /nfs/dbraw/zinc/12/20/43/722122043.db2.gz BQBRTTLUMMOFOF-REWPJTCUSA-N 0 3 432.572 3.669 20 0 IHADHN Clc1ccc2[nH]c3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3c2c1 ZINC001164976982 722136632 /nfs/dbraw/zinc/13/66/32/722136632.db2.gz HMJZJZOPCKHAFF-LAUBAEHRSA-N 0 3 448.958 3.887 20 0 IHADHN c1ccc(COc2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164980359 722139005 /nfs/dbraw/zinc/13/90/05/722139005.db2.gz NEWMOPWEBAHPAD-UKILVPOCSA-N 0 3 430.552 3.783 20 0 IHADHN Clc1cccc(-c2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ncn2)c1 ZINC001164984957 722144497 /nfs/dbraw/zinc/14/44/97/722144497.db2.gz YMBDYVNLJIMDNJ-NZQKXSOJSA-N 0 3 435.959 3.919 20 0 IHADHN Fc1cc2ncc(Cl)nc2cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980946 722146823 /nfs/dbraw/zinc/14/68/23/722146823.db2.gz OAUPTISWGLZOBL-HRAATJIYSA-N 0 3 427.911 3.545 20 0 IHADHN CCOc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984264 722147952 /nfs/dbraw/zinc/14/79/52/722147952.db2.gz XCCXMSMHIBQNFJ-RCZVLFRGSA-N 0 3 445.567 3.665 20 0 IHADHN Cc1cc(-c2cccc(F)c2)nnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971710 722153757 /nfs/dbraw/zinc/15/37/57/722153757.db2.gz DIUWGJXHQILCEF-URXFXBBRSA-N 0 3 433.531 3.713 20 0 IHADHN Clc1nc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(C2CC2)n1 ZINC001164972616 722156379 /nfs/dbraw/zinc/15/63/79/722156379.db2.gz IRLRMWHXCWYFCS-SJORKVTESA-N 0 3 434.371 3.783 20 0 IHADHN Cc1ccc(C[C@@H](CO)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1C ZINC001474169237 1126201981 /nfs/dbraw/zinc/20/19/81/1126201981.db2.gz AQSZECDSDVNUQV-NRFANRHFSA-N 0 3 443.588 3.647 20 0 IHADHN CCOC(=O)c1ccc2c(c1)nc(CN[C@@](C)(CO)Cc1ccc(Cl)cc1)n2CC ZINC001560183856 1126209789 /nfs/dbraw/zinc/20/97/89/1126209789.db2.gz YOGOQGMNBJUSJZ-HSZRJFAPSA-N 0 3 429.948 3.970 20 0 IHADHN Clc1nnc(Cl)c(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1N1CCOCC1 ZINC001164627435 719114563 /nfs/dbraw/zinc/11/45/63/719114563.db2.gz KLKOCBPGJFKXNA-QZTJIDSGSA-N 0 3 448.398 3.721 20 0 IHADHN CCc1cccc(Oc2nc(Cl)ncc2N2CCC3(CCCN3CC(=O)NC)CC2)c1 ZINC001164689364 719755687 /nfs/dbraw/zinc/75/56/87/719755687.db2.gz CTQBIAZAZJDUFT-UHFFFAOYSA-N 0 3 443.979 3.666 20 0 IHADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164727014 720455641 /nfs/dbraw/zinc/45/56/41/720455641.db2.gz CTVYDPWSOMAHIL-FCHUYYIVSA-N 0 3 429.524 3.553 20 0 IHADHN Cc1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)s1 ZINC001164745419 720776389 /nfs/dbraw/zinc/77/63/89/720776389.db2.gz VRUPFWWDWBOYSG-ROUUACIJSA-N 0 3 444.564 3.799 20 0 IHADHN Cc1nc(-c2ccccc2Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749219 720785809 /nfs/dbraw/zinc/78/58/09/720785809.db2.gz SEKOERJYIPBKIM-ZWKOTPCHSA-N 0 3 436.947 3.546 20 0 IHADHN COc1ccc(CN(C)c2ccnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164857357 721016021 /nfs/dbraw/zinc/01/60/21/721016021.db2.gz DIJDHWIGOJJNJK-IBGZPJMESA-N 0 3 449.603 3.740 20 0 IHADHN Clc1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1Cl ZINC001164866174 721119301 /nfs/dbraw/zinc/11/93/01/721119301.db2.gz RPYZIWWIKVYXQE-CVEARBPZSA-N 0 3 430.339 3.811 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@@H]3C2)cn1 ZINC001164762588 721223442 /nfs/dbraw/zinc/22/34/42/721223442.db2.gz CWMSIRPUTAKKCC-MOPGFXCFSA-N 0 3 447.568 3.552 20 0 IHADHN CCN1CCCC[C@@H]1c1ccc(N(c2ccccn2)c2ccnc([C@@H]3COCCN3)n2)nc1 ZINC001164876774 721329884 /nfs/dbraw/zinc/32/98/84/721329884.db2.gz QBRZGWAUFQBCMO-LEWJYISDSA-N 0 3 445.571 3.944 20 0 IHADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909264 721545827 /nfs/dbraw/zinc/54/58/27/721545827.db2.gz RCMIDUCICNYHMF-RDJZCZTQSA-N 0 3 430.915 3.542 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908220 721550841 /nfs/dbraw/zinc/55/08/41/721550841.db2.gz PZUQXICYCMKRMU-ICSRJNTNSA-N 0 3 428.508 3.910 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3ncsc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908282 721705655 /nfs/dbraw/zinc/70/56/55/721705655.db2.gz WXHWCEIPUBCLTK-GOSISDBHSA-N 0 3 436.919 3.872 20 0 IHADHN COC(OC)c1cc(C)cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906938 721718793 /nfs/dbraw/zinc/71/87/93/721718793.db2.gz PBEPSSIRIJFUMN-QFIPXVFZSA-N 0 3 432.515 3.814 20 0 IHADHN FC1(F)CCN(c2cncc(N3CCCCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164909102 721731356 /nfs/dbraw/zinc/73/13/56/721731356.db2.gz BGRLCNJJQWECDH-HSZRJFAPSA-N 0 3 442.558 3.990 20 0 IHADHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ncccc2CN2CCCC2)C3)n1 ZINC001164959687 722027695 /nfs/dbraw/zinc/02/76/95/722027695.db2.gz ICNWFAUQUGUYDL-RSXGOPAZSA-N 0 3 436.600 3.973 20 0 IHADHN Fc1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977172 722104311 /nfs/dbraw/zinc/10/43/11/722104311.db2.gz DVRMVTTUIDYYNC-DOTOQJQBSA-N 0 3 426.870 3.541 20 0 IHADHN Cc1ccc(C)c(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164983273 722145765 /nfs/dbraw/zinc/14/57/65/722145765.db2.gz SXGIPLRESGPSRA-DHLKQENFSA-N 0 3 429.568 3.883 20 0 IHADHN CN(C)Cc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c2c1OC(F)(F)O2 ZINC001200425787 1126156472 /nfs/dbraw/zinc/15/64/72/1126156472.db2.gz XRKBXGRYBSCGNE-QFBILLFUSA-N 0 3 446.416 3.694 20 0 IHADHN CCn1c(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)nc2c1cccc2F ZINC001307928351 1126162034 /nfs/dbraw/zinc/16/20/34/1126162034.db2.gz HNTUTSNSXUBTBO-NRFANRHFSA-N 0 3 432.337 3.967 20 0 IHADHN COCO[C@@H](C)c1cc(F)c(CN[C@@H](CO)Cc2ccccc2)cc1Br ZINC001308379017 1126165587 /nfs/dbraw/zinc/16/55/87/1126165587.db2.gz SBBWCHYVGUANDR-WMLDXEAASA-N 0 3 426.326 3.963 20 0 IHADHN CN(C)[C@H](CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000012594821 522070736 /nfs/dbraw/zinc/07/07/36/522070736.db2.gz WVUCJPOLVOIVIR-LJQANCHMSA-N 0 3 441.626 3.777 20 0 IHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)CC1 ZINC001164614678 719023133 /nfs/dbraw/zinc/02/31/33/719023133.db2.gz WPNMXWJRDUPXOI-UHFFFAOYSA-N 0 3 437.318 3.572 20 0 IHADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164722658 720359679 /nfs/dbraw/zinc/35/96/79/720359679.db2.gz GEXDBJUTIISQED-VQTJNVASSA-N 0 3 445.958 3.776 20 0 IHADHN Cc1ccc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164738415 720675842 /nfs/dbraw/zinc/67/58/42/720675842.db2.gz JJGDQOGHPZGNAO-RBUKOAKNSA-N 0 3 444.564 3.799 20 0 IHADHN Fc1ccc(COc2cccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164874562 721161499 /nfs/dbraw/zinc/16/14/99/721161499.db2.gz KQXXJFXNHQWYCD-XZOQPEGZSA-N 0 3 434.515 3.674 20 0 IHADHN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164874483 721162608 /nfs/dbraw/zinc/16/26/08/721162608.db2.gz KCCZMJPLFXIWFQ-RTBURBONSA-N 0 3 439.922 3.811 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164875454 721174541 /nfs/dbraw/zinc/17/45/41/721174541.db2.gz LPXPISYQCWBJSQ-SJORKVTESA-N 0 3 429.446 3.581 20 0 IHADHN COCc1cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164897077 721514613 /nfs/dbraw/zinc/51/46/13/721514613.db2.gz DNHYSTOGWVGBDA-JTHBVZDNSA-N 0 3 434.515 3.771 20 0 IHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CCN3C2)c1 ZINC001164899592 721516999 /nfs/dbraw/zinc/51/69/99/721516999.db2.gz LFPYAUXFLCLQDV-PKOBYXMFSA-N 0 3 425.895 3.673 20 0 IHADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164906727 721536092 /nfs/dbraw/zinc/53/60/92/721536092.db2.gz LCIJLIMRIGRMQF-JTHBVZDNSA-N 0 3 432.499 3.815 20 0 IHADHN COc1cccc(Oc2cncc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)c1 ZINC001164907296 721545763 /nfs/dbraw/zinc/54/57/63/721545763.db2.gz MWFPAXJNOMEYRC-PGRDOPGGSA-N 0 3 436.487 3.759 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2)n1 ZINC001164912308 721549681 /nfs/dbraw/zinc/54/96/81/721549681.db2.gz YSGNMMYEZUQMAP-AZUAARDMSA-N 0 3 437.519 3.910 20 0 IHADHN CCOC(=O)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C ZINC001164903291 721583314 /nfs/dbraw/zinc/58/33/14/721583314.db2.gz KVYKSEMNAHJXPH-QFIPXVFZSA-N 0 3 430.499 3.699 20 0 IHADHN CCOC(=O)c1cc(C)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908013 721691417 /nfs/dbraw/zinc/69/14/17/721691417.db2.gz YACQGCUHPFRXBC-JOCHJYFZSA-N 0 3 430.499 3.699 20 0 IHADHN FC1(F)CCN(c2ncnc3cc(Cl)cnc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908259 721711749 /nfs/dbraw/zinc/71/17/49/721711749.db2.gz WTCINEUTGDPGDJ-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN CC(C)(C)NC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164906820 721717882 /nfs/dbraw/zinc/71/78/82/721717882.db2.gz ONZDCGREDIHKDX-HSZRJFAPSA-N 0 3 443.542 3.743 20 0 IHADHN CCCN(CCC)c1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ncn1 ZINC001164962530 722058160 /nfs/dbraw/zinc/05/81/60/722058160.db2.gz TWKMQMQVIRNHOV-UHFFFAOYSA-N 0 3 438.620 3.617 20 0 IHADHN Clc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cc2ccccc2)n1 ZINC001164978318 722111064 /nfs/dbraw/zinc/11/10/64/722111064.db2.gz OKNKCYJZTPUXSX-VXKWHMMOSA-N 0 3 449.986 3.843 20 0 IHADHN Cc1nc2sc3c(c2c(N2CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C2)n1)CCC3 ZINC001164983807 722138914 /nfs/dbraw/zinc/13/89/14/722138914.db2.gz VFBVSARZKJGMSB-AZUAARDMSA-N 0 3 435.597 3.611 20 0 IHADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977010 722139643 /nfs/dbraw/zinc/13/96/43/722139643.db2.gz HNLZJEPFTVWVPC-OALUTQOASA-N 0 3 429.996 3.858 20 0 IHADHN Clc1cccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c1 ZINC001164974355 722141912 /nfs/dbraw/zinc/14/19/12/722141912.db2.gz DJHCNRUHVZYLFU-OFNKIYASSA-N 0 3 435.959 3.919 20 0 IHADHN Fc1ccc(COc2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164983795 722147114 /nfs/dbraw/zinc/14/71/14/722147114.db2.gz UXZKQHOMRKTZCY-DHLKQENFSA-N 0 3 448.542 3.922 20 0 IHADHN Fc1ccc2c(Cl)nnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981666 722150136 /nfs/dbraw/zinc/15/01/36/722150136.db2.gz PYVACZFUNMQJID-JXFKEZNVSA-N 0 3 427.911 3.545 20 0 IHADHN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC001203283817 1126158315 /nfs/dbraw/zinc/15/83/15/1126158315.db2.gz VWQQAKCQHINFIZ-IBGZPJMESA-N 0 3 444.272 3.863 20 0 IHADHN Cc1ccccc1C[C@@H](CO)NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC001205425937 1126159374 /nfs/dbraw/zinc/15/93/74/1126159374.db2.gz HQDXLPRVHUNIAB-NRFANRHFSA-N 0 3 428.573 3.839 20 0 IHADHN CC(C)(C)OC(=O)C1CCN(c2ccc(CN[C@@H](CO)Cc3ccc(F)cc3)o2)CC1 ZINC001205608351 1126159444 /nfs/dbraw/zinc/15/94/44/1126159444.db2.gz CDJPBSSRAAOXBM-HXUWFJFHSA-N 0 3 432.536 3.670 20 0 IHADHN O[C@H]([C@H](Cc1ccccc1)NCc1ccc(I)cc1)C(F)(F)F ZINC001308040394 1126162926 /nfs/dbraw/zinc/16/29/26/1126162926.db2.gz VBNFEFGZRZWQIR-JKSUJKDBSA-N 0 3 435.227 3.915 20 0 IHADHN Cc1cccc(Cl)c1NC(=O)c1cnc([N-]c2cc(N3CC[NH2+]CC3)nc(C)n2)s1 ZINC000022056134 527004969 /nfs/dbraw/zinc/00/49/69/527004969.db2.gz DOBZFFWLHXORTB-UHFFFAOYSA-N 0 3 443.964 3.609 20 0 in-vitro IHADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@@H]3C2)c(Cl)nn1 ZINC001164390500 718826122 /nfs/dbraw/zinc/82/61/22/718826122.db2.gz PGQDFCQOBHPHAK-GDBMZVCRSA-N 0 3 448.823 3.928 20 0 IHADHN Clc1nc(Cl)c2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2n1 ZINC001164725230 720355924 /nfs/dbraw/zinc/35/59/24/720355924.db2.gz MSHGLBFQCUYKJQ-VXGBXAGGSA-N 0 3 436.734 3.628 20 0 IHADHN COc1cc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OC ZINC001164723866 720366083 /nfs/dbraw/zinc/36/60/83/720366083.db2.gz HTGXYZLKCPEWJR-ZWKOTPCHSA-N 0 3 425.920 3.549 20 0 IHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164727592 720433294 /nfs/dbraw/zinc/43/32/94/720433294.db2.gz DLSZXLFWXDTWLU-ZWKOTPCHSA-N 0 3 437.569 3.733 20 0 IHADHN CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164835156 720583345 /nfs/dbraw/zinc/58/33/45/720583345.db2.gz AEIHOZZGMVIGAS-KKUMJFAQSA-N 0 3 442.967 3.538 20 0 IHADHN CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164835156 720583351 /nfs/dbraw/zinc/58/33/51/720583351.db2.gz AEIHOZZGMVIGAS-KKUMJFAQSA-N 0 3 442.967 3.538 20 0 IHADHN Cc1ccc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164738412 720676087 /nfs/dbraw/zinc/67/60/87/720676087.db2.gz JJGDQOGHPZGNAO-OALUTQOASA-N 0 3 444.564 3.799 20 0 IHADHN Cc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1 ZINC001164740477 720755820 /nfs/dbraw/zinc/75/58/20/720755820.db2.gz LJFVQHMIJKJOJZ-NHCUHLMSSA-N 0 3 438.535 3.737 20 0 IHADHN COc1ccc(CN(C)c2ccnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164857359 721015779 /nfs/dbraw/zinc/01/57/79/721015779.db2.gz DIJDHWIGOJJNJK-LJQANCHMSA-N 0 3 449.603 3.740 20 0 IHADHN Clc1cc2c(Cl)ccnc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865183 721082941 /nfs/dbraw/zinc/08/29/41/721082941.db2.gz JLCFOWLQEXYGRA-HOTGVXAUSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864929 721087249 /nfs/dbraw/zinc/08/72/49/721087249.db2.gz HNVODNLBIWBOPR-SJORKVTESA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cc(Cc2ccccc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866178 721120726 /nfs/dbraw/zinc/12/07/26/721120726.db2.gz RQWZKYPDXUBWMG-FCHUYYIVSA-N 0 3 435.959 3.596 20 0 IHADHN Cc1cccc(Sc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164876519 721125445 /nfs/dbraw/zinc/12/54/45/721125445.db2.gz MYUFBXPYZYPNGO-SFTDATJTSA-N 0 3 433.581 3.811 20 0 IHADHN Fc1ccc(COc2cccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164874560 721160308 /nfs/dbraw/zinc/16/03/08/721160308.db2.gz KQXXJFXNHQWYCD-GOTSBHOMSA-N 0 3 434.515 3.674 20 0 IHADHN Clc1ccc2c(Cl)nnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164880982 721169632 /nfs/dbraw/zinc/16/96/32/721169632.db2.gz YMOWYVHLGAAHIB-SJORKVTESA-N 0 3 430.339 3.811 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4nnc(Cc5ccccc5)c5ccccc54)C[C@H]3C2)cn1 ZINC001164768605 721190897 /nfs/dbraw/zinc/19/08/97/721190897.db2.gz LKEWIXLTUWRWFM-DHIUTWEWSA-N 0 3 438.579 3.912 20 0 IHADHN CCN1CCCC[C@H]1c1ccc(N(c2ccccn2)c2ccnc([C@H]3COCCN3)n2)nc1 ZINC001164876778 721329604 /nfs/dbraw/zinc/32/96/04/721329604.db2.gz QBRZGWAUFQBCMO-RTWAWAEBSA-N 0 3 445.571 3.944 20 0 IHADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892872 721395169 /nfs/dbraw/zinc/39/51/69/721395169.db2.gz UFCZJDYADMWXOK-QPPBQGQZSA-N 0 3 442.007 3.562 20 0 IHADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccnc(Cl)c5)ccn4)C3)O2)CC1 ZINC001164892876 721395342 /nfs/dbraw/zinc/39/53/42/721395342.db2.gz UFCZJDYADMWXOK-ZJSXRUAMSA-N 0 3 442.007 3.562 20 0 IHADHN Cc1nc(C2CCCCC2)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164897707 721429858 /nfs/dbraw/zinc/42/98/58/721429858.db2.gz UNCGACTXXQSEBV-RCZVLFRGSA-N 0 3 427.637 3.598 20 0 IHADHN CNC(=O)N[C@@H]1CC2(CCN(c3ncccc3CN3CCCC3)CC2)c2ccc(C)cc21 ZINC001164897175 721493115 /nfs/dbraw/zinc/49/31/15/721493115.db2.gz BXATWGSBKGGLDW-HSZRJFAPSA-N 0 3 433.600 3.898 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nnc(Cl)cc4-c4ccncc4)CCN3C2)c1 ZINC001164899589 721517126 /nfs/dbraw/zinc/51/71/26/721517126.db2.gz LFPYAUXFLCLQDV-MJGOQNOKSA-N 0 3 425.895 3.673 20 0 IHADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164908330 721538300 /nfs/dbraw/zinc/53/83/00/721538300.db2.gz PTKNJVMBTOMTJW-RDJZCZTQSA-N 0 3 428.895 3.773 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164908225 721551022 /nfs/dbraw/zinc/55/10/22/721551022.db2.gz PZUQXICYCMKRMU-UYAOXDASSA-N 0 3 428.508 3.910 20 0 IHADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)C1CC1 ZINC001164911262 721551175 /nfs/dbraw/zinc/55/11/75/721551175.db2.gz YMXSYHNTPSTZJM-PUHATCMVSA-N 0 3 439.531 3.619 20 0 IHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164908649 721561215 /nfs/dbraw/zinc/56/12/15/721561215.db2.gz RKJITXGOXGMAAB-CTNGQTDRSA-N 0 3 431.515 3.508 20 0 IHADHN FC1(F)CCN(c2nnc(Cl)c3ccncc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908436 721586967 /nfs/dbraw/zinc/58/69/67/721586967.db2.gz ZFHZEHDDWSFSRC-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN CSc1nc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2s1 ZINC001164904838 721716166 /nfs/dbraw/zinc/71/61/66/721716166.db2.gz DHGCLOZXDDUXLQ-LJQANCHMSA-N 0 3 448.568 3.941 20 0 IHADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccccn2)n1 ZINC001164904372 721723370 /nfs/dbraw/zinc/72/33/70/721723370.db2.gz CPPBXADMLWGSFA-HSZRJFAPSA-N 0 3 436.510 3.980 20 0 IHADHN CN(Cc1ccc(N2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)nc1)C1CC1 ZINC001164928212 721899099 /nfs/dbraw/zinc/89/90/99/721899099.db2.gz MSCFNSGGQSPSKZ-AREMUKBSSA-N 0 3 427.552 3.811 20 0 IHADHN Fc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963851 722055589 /nfs/dbraw/zinc/05/55/89/722055589.db2.gz OADVCSKZZDBBOO-UHFFFAOYSA-N 0 3 440.897 3.933 20 0 IHADHN Fc1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981651 722103467 /nfs/dbraw/zinc/10/34/67/722103467.db2.gz LUTLSHCEIPORJU-JXFKEZNVSA-N 0 3 427.911 3.545 20 0 IHADHN Clc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164979894 722104302 /nfs/dbraw/zinc/10/43/02/722104302.db2.gz IFWNHMBYHODYKR-OFNKIYASSA-N 0 3 435.959 3.919 20 0 IHADHN c1ccc(COc2cccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164981137 722133165 /nfs/dbraw/zinc/13/31/65/722133165.db2.gz OQPFGBGGIYWFSD-BJKOFHAPSA-N 0 3 430.552 3.783 20 0 IHADHN CC(C)(C)c1noc(-c2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2)n1 ZINC001164977070 722135987 /nfs/dbraw/zinc/13/59/87/722135987.db2.gz IKXZNUJXJPVJLF-SFTDATJTSA-N 0 3 448.571 3.551 20 0 IHADHN COc1ccc(C[C@](C)(CO)NCc2nc3cc(C(F)(F)F)ccc3n2C)cc1OC ZINC001179520222 1126152466 /nfs/dbraw/zinc/15/24/66/1126152466.db2.gz IEONXMFJPCCXQT-OAQYLSRUSA-N 0 3 437.462 3.693 20 0 IHADHN COCO[C@H](C)c1cc(F)c(CN[C@@H](CO)Cc2ccccc2)cc1Br ZINC001308379015 1126165621 /nfs/dbraw/zinc/16/56/21/1126165621.db2.gz SBBWCHYVGUANDR-RHSMWYFYSA-N 0 3 426.326 3.963 20 0 IHADHN CN(C)c1nc(Cl)c(CN[C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC001308863457 1126168538 /nfs/dbraw/zinc/16/85/38/1126168538.db2.gz BQBINODMRIGVCA-QGZVFWFLSA-N 0 3 430.799 3.635 20 0 IHADHN CCOC(=O)c1ccc2c(c1)nc(CN[C@](C)(CO)Cc1ccc(Cl)cc1)n2CC ZINC001560183857 1126209675 /nfs/dbraw/zinc/20/96/75/1126209675.db2.gz YOGOQGMNBJUSJZ-QHCPKHFHSA-N 0 3 429.948 3.970 20 0 IHADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cnc(-c3c(F)cccc3F)s2)[C@H](O)C1 ZINC001621039971 1126245336 /nfs/dbraw/zinc/24/53/36/1126245336.db2.gz GFASFNMOTQTXMT-HZPDHXFCSA-N 0 3 425.501 3.548 20 0 IHADHN CN(C)[C@@H](CNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 ZINC000012594818 522017489 /nfs/dbraw/zinc/01/74/89/522017489.db2.gz WVUCJPOLVOIVIR-IBGZPJMESA-N 0 3 441.626 3.777 20 0 IHADHN Cc1nc(CN2C(=O)CCC23CCN(c2ncccc2CN2CCCC2)CC3)cs1 ZINC001164684575 719594661 /nfs/dbraw/zinc/59/46/61/719594661.db2.gz IDHVWAWLOZYKER-UHFFFAOYSA-N 0 3 425.602 3.604 20 0 IHADHN c1csc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)c1 ZINC001164741574 720656559 /nfs/dbraw/zinc/65/65/59/720656559.db2.gz UGPVODYCMZFCRN-LSDHHAIUSA-N 0 3 436.566 3.552 20 0 IHADHN Fc1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746354 720762661 /nfs/dbraw/zinc/76/26/61/720762661.db2.gz XPXWLURRYHHMPE-UXHICEINSA-N 0 3 442.498 3.568 20 0 IHADHN Clc1cccc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866715 721079392 /nfs/dbraw/zinc/07/93/92/721079392.db2.gz UTCMFFNJPXYZCZ-CVEARBPZSA-N 0 3 430.339 3.811 20 0 IHADHN Clc1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1Cl ZINC001164866176 721118135 /nfs/dbraw/zinc/11/81/35/721118135.db2.gz RPYZIWWIKVYXQE-HZPDHXFCSA-N 0 3 430.339 3.811 20 0 IHADHN Fc1ccc2nc(C(F)F)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164875450 721175335 /nfs/dbraw/zinc/17/53/35/721175335.db2.gz LPXPISYQCWBJSQ-IAGOWNOFSA-N 0 3 429.446 3.581 20 0 IHADHN Cc1nc2sc3c(c2c(N2C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C2)n1)CCCCC3 ZINC001164762692 721202146 /nfs/dbraw/zinc/20/21/46/721202146.db2.gz DDKGXXMBMHLMKL-RBUKOAKNSA-N 0 3 436.629 3.960 20 0 IHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5nc(-c6cccs6)no5)ccn4)C[C@H]3C2)cn1 ZINC001164762593 721223084 /nfs/dbraw/zinc/22/30/84/721223084.db2.gz CWMSIRPUTAKKCC-RTBURBONSA-N 0 3 447.568 3.552 20 0 IHADHN CN(Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CNC(=O)c2ccccc2)O3)nc1)C1CC1 ZINC001164872033 721258669 /nfs/dbraw/zinc/25/86/69/721258669.db2.gz CPMSCUXPXPVGGL-ZEQKJWHPSA-N 0 3 434.584 3.624 20 0 IHADHN c1csc(CN2C[C@H]3CN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C[C@@H]3C2)n1 ZINC001164781630 721403035 /nfs/dbraw/zinc/40/30/35/721403035.db2.gz CIKBOWPUGRSMDA-VXKWHMMOSA-N 0 3 431.609 3.665 20 0 IHADHN CC(C)c1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)cc(C(C)(C)C)n1 ZINC001164894863 721441455 /nfs/dbraw/zinc/44/14/55/721441455.db2.gz MTAMQYJBSLLIQG-CJFMBICVSA-N 0 3 429.653 3.663 20 0 IHADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)s1 ZINC001164903599 721561756 /nfs/dbraw/zinc/56/17/56/721561756.db2.gz CWSXVIKLUDOFCG-MJGOQNOKSA-N 0 3 425.533 3.698 20 0 IHADHN Cc1cc(N2CCCC2)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164903912 721582816 /nfs/dbraw/zinc/58/28/16/721582816.db2.gz OZOGZJGAOHEMBS-QFIPXVFZSA-N 0 3 428.531 3.518 20 0 IHADHN FC1(F)CCN(c2nc(Cl)nc3ncccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904897 721691950 /nfs/dbraw/zinc/69/19/50/721691950.db2.gz HNLLXKCTFKFRNE-HXUWFJFHSA-N 0 3 430.890 3.811 20 0 IHADHN c1ccc(-c2ncc3c(n2)[C@@]2(CCN(c4ncccc4CN4CCCC4)C2)COC3)cc1 ZINC001164927511 721899047 /nfs/dbraw/zinc/89/90/47/721899047.db2.gz IWAIIUJJPBPXDD-AREMUKBSSA-N 0 3 427.552 3.813 20 0 IHADHN c1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c21 ZINC001164963900 722056647 /nfs/dbraw/zinc/05/66/47/722056647.db2.gz PONCPCCWIPOOAO-UHFFFAOYSA-N 0 3 428.540 3.625 20 0 IHADHN Fc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164978354 722113303 /nfs/dbraw/zinc/11/33/03/722113303.db2.gz OLSVFDMGUYOWPW-QAPCUYQASA-N 0 3 426.870 3.541 20 0 IHADHN Fc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164978346 722113837 /nfs/dbraw/zinc/11/38/37/722113837.db2.gz OLSVFDMGUYOWPW-CRAIPNDOSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1cccc(-c2cccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)n1 ZINC001164983239 722118955 /nfs/dbraw/zinc/11/89/55/722118955.db2.gz YRMBKHAGSYDUTJ-SIKLNZKXSA-N 0 3 435.959 3.919 20 0 IHADHN c1ccc(COc2cccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164981142 722133485 /nfs/dbraw/zinc/13/34/85/722133485.db2.gz OQPFGBGGIYWFSD-RPWUZVMVSA-N 0 3 430.552 3.783 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977968 722137249 /nfs/dbraw/zinc/13/72/49/722137249.db2.gz IYFICSFXAGTSBC-ICSRJNTNSA-N 0 3 440.979 3.788 20 0 IHADHN CC(C)(C)OC(=O)Nc1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979668 722137566 /nfs/dbraw/zinc/13/75/66/722137566.db2.gz LSDGEKKSBKTKQH-FPOVZHCZSA-N 0 3 439.560 3.551 20 0 IHADHN FC(F)c1nc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975205 722146478 /nfs/dbraw/zinc/14/64/78/722146478.db2.gz FRXRRAAMLMWXCW-YLJYHZDGSA-N 0 3 425.483 3.690 20 0 IHADHN Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980948 722146493 /nfs/dbraw/zinc/14/64/93/722146493.db2.gz OAUPTISWGLZOBL-IERDGZPVSA-N 0 3 427.911 3.545 20 0 IHADHN FC(F)c1nc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164975204 722146656 /nfs/dbraw/zinc/14/66/56/722146656.db2.gz FRXRRAAMLMWXCW-XLIONFOSSA-N 0 3 425.483 3.690 20 0 IHADHN CCN(c1ccccc1)c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164973178 722149441 /nfs/dbraw/zinc/14/94/41/722149441.db2.gz BIZWWDOPEXKWFK-UPVQGACJSA-N 0 3 444.583 3.757 20 0 IHADHN Cc1cc(-c2ccccc2F)nnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973895 722153830 /nfs/dbraw/zinc/15/38/30/722153830.db2.gz NMGDSDWGXHNNLX-GBXCKJPGSA-N 0 3 433.531 3.713 20 0 IHADHN FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972585 722156613 /nfs/dbraw/zinc/15/66/13/722156613.db2.gz INBNXMCXPFFSKZ-WMZOPIPTSA-N 0 3 440.947 3.995 20 0 IHADHN Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(CN4CCCC4)cn2)CC3)cs1 ZINC001165006278 722273038 /nfs/dbraw/zinc/27/30/38/722273038.db2.gz MZBJRMFAGNBTLL-NRFANRHFSA-N 0 3 428.602 3.787 20 0 IHADHN COc1ccc(C[C@](C)(CO)NCc2cc(OC)c(Br)cc2F)cc1OC ZINC001203579021 1126158748 /nfs/dbraw/zinc/15/87/48/1126158748.db2.gz BWZSGSHARSBANT-HXUWFJFHSA-N 0 3 442.325 3.697 20 0 IHADHN COc1ccc(C[C@](C)(CO)NCc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC001308514642 1126167844 /nfs/dbraw/zinc/16/78/44/1126167844.db2.gz VSYDVCAHKNCCFK-OAQYLSRUSA-N 0 3 430.346 3.931 20 0 IHADHN Cc1ccccc1C[C@@H](CO)NCc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474115199 1126201888 /nfs/dbraw/zinc/20/18/88/1126201888.db2.gz ZZZQSIHPBXTBII-SFTDATJTSA-N 0 3 428.573 3.839 20 0 IHADHN CNC(=O)CN1CCCC12CCN(c1cnc(-c3ccccc3)c(-c3ccccc3)n1)CC2 ZINC001164686329 719715106 /nfs/dbraw/zinc/71/51/06/719715106.db2.gz ZRXVFGGPWFVNRI-UHFFFAOYSA-N 0 3 441.579 3.991 20 0 IHADHN O=C(c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1)N1CCCCC1 ZINC001164729823 720352073 /nfs/dbraw/zinc/35/20/73/720352073.db2.gz YLHWSQOQYWDPDK-WOJBJXKFSA-N 0 3 425.964 3.609 20 0 IHADHN c1ccc(CN2CCc3nc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)ccc3C2)cc1 ZINC001164723155 720362263 /nfs/dbraw/zinc/36/22/63/720362263.db2.gz GIBDRPDZTSMBRB-UIOOFZCWSA-N 0 3 425.580 3.888 20 0 IHADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725904 720376772 /nfs/dbraw/zinc/37/67/72/720376772.db2.gz ODGHPWBHAZKJOO-OALUTQOASA-N 0 3 437.931 3.708 20 0 IHADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c2[nH]cnc21 ZINC001164733604 720428367 /nfs/dbraw/zinc/42/83/67/720428367.db2.gz PYFRQYBBNLVEEY-ROUUACIJSA-N 0 3 435.532 3.553 20 0 IHADHN COC(=O)c1ccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2C)cc1 ZINC001164736689 720577873 /nfs/dbraw/zinc/57/78/73/720577873.db2.gz QWVIOCUWTSJZDF-UHFFFAOYSA-N 0 3 445.567 3.699 20 0 IHADHN CC(C)n1ccc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880326 721131888 /nfs/dbraw/zinc/13/18/88/721131888.db2.gz VWBZLYHESDFLIN-ZWKOTPCHSA-N 0 3 426.952 3.540 20 0 IHADHN Cc1nc2sc3c(c2c(N2CCN4C[C@H](OCc5cccnc5)C[C@H]4C2)n1)CCCC3 ZINC001164876975 721138229 /nfs/dbraw/zinc/13/82/29/721138229.db2.gz NHEDKTVXLCPPIL-RBUKOAKNSA-N 0 3 435.597 3.753 20 0 IHADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5cc(F)c(Cl)cc54)C3)O2)CC1 ZINC001164890239 721445352 /nfs/dbraw/zinc/44/53/52/721445352.db2.gz CQOYYNQJAKIGAC-WZONZLPQSA-N 0 3 432.971 3.793 20 0 IHADHN COCc1cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164897073 721514665 /nfs/dbraw/zinc/51/46/65/721514665.db2.gz DNHYSTOGWVGBDA-GMAHTHKFSA-N 0 3 434.515 3.771 20 0 IHADHN CCOC(=O)/C=C\c1cccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906611 721585513 /nfs/dbraw/zinc/58/55/13/721585513.db2.gz NQKDCKGLKBTEJS-UFTUAFODSA-N 0 3 442.510 3.791 20 0 IHADHN COc1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908543 721704378 /nfs/dbraw/zinc/70/43/78/721704378.db2.gz XSPHRIYYLDHBCB-JOCHJYFZSA-N 0 3 425.483 3.771 20 0 IHADHN COC(=O)/C=C/c1cc(C)cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904361 721719268 /nfs/dbraw/zinc/71/92/68/721719268.db2.gz CGNDNICNAYLQRP-YQTDCCHMSA-N 0 3 442.510 3.709 20 0 IHADHN Cc1nc(-c2ccncc2)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912281 721729147 /nfs/dbraw/zinc/72/91/47/721729147.db2.gz NQVDPOHUVBOUSV-HSZRJFAPSA-N 0 3 436.510 3.980 20 0 IHADHN Fc1c(Cl)nccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980720 722102147 /nfs/dbraw/zinc/10/21/47/722102147.db2.gz JYXBNKNZRYQTQY-RDJZCZTQSA-N 0 3 426.870 3.541 20 0 IHADHN Clc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(-c2ccccc2)nn1 ZINC001164974943 722118998 /nfs/dbraw/zinc/11/89/98/722118998.db2.gz JDCXVOVTFKSODJ-RBBKRZOGSA-N 0 3 435.959 3.919 20 0 IHADHN Clc1ccccc1-c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164973455 722130162 /nfs/dbraw/zinc/13/01/62/722130162.db2.gz CJBOHHNPADFRCT-AUSIDOKSSA-N 0 3 435.959 3.919 20 0 IHADHN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974388 722135066 /nfs/dbraw/zinc/13/50/66/722135066.db2.gz DMCZWNMMXHZSSR-ZWKOTPCHSA-N 0 3 447.917 3.884 20 0 IHADHN Cc1c(Cl)nc(C(C)(C)C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977013 722139438 /nfs/dbraw/zinc/13/94/38/722139438.db2.gz HNLZJEPFTVWVPC-RBUKOAKNSA-N 0 3 429.996 3.858 20 0 IHADHN Fc1cc2ncc(Cl)nc2cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980950 722146350 /nfs/dbraw/zinc/14/63/50/722146350.db2.gz OAUPTISWGLZOBL-IIBYNOLFSA-N 0 3 427.911 3.545 20 0 IHADHN FC(F)c1nc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164975202 722146375 /nfs/dbraw/zinc/14/63/75/722146375.db2.gz FRXRRAAMLMWXCW-FXAWDEMLSA-N 0 3 425.483 3.690 20 0 IHADHN Cc1c(Cl)nc(C2CCC2)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972736 722154501 /nfs/dbraw/zinc/15/45/01/722154501.db2.gz JEDDDJXGLRNSTA-VQTJNVASSA-N 0 3 427.980 3.828 20 0 IHADHN Cc1ccc(C[C@@H](CO)NCc2ccc(N3CCC[C@@H](C(=O)OC(C)(C)C)C3)o2)cc1 ZINC001202009515 1126156623 /nfs/dbraw/zinc/15/66/23/1126156623.db2.gz IFMBEWZEBYSZGB-RTWAWAEBSA-N 0 3 428.573 3.839 20 0 IHADHN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc(I)cc1)C(F)(F)F ZINC001308040379 1126162947 /nfs/dbraw/zinc/16/29/47/1126162947.db2.gz VBNFEFGZRZWQIR-CVEARBPZSA-N 0 3 435.227 3.915 20 0 IHADHN Cc1c(C(=O)NCC2(N3CCCCC3)CCCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000009750922 569566054 /nfs/dbraw/zinc/56/60/54/569566054.db2.gz SIODHPXITFYJOS-UHFFFAOYSA-N 0 3 428.602 3.631 20 0 IHADHN