smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903494 721553986 /nfs/dbraw/zinc/55/39/86/721553986.db2.gz BNNLVEGJINETCE-YZGWKJHDSA-N 0 3 461.497 2.891 20 30 JFEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001263375537 1059479217 /nfs/dbraw/zinc/47/92/17/1059479217.db2.gz RSJUCBUOCHGNFP-QGZVFWFLSA-N 0 3 481.310 2.693 20 30 JFEDHN CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001265828612 1059930836 /nfs/dbraw/zinc/93/08/36/1059930836.db2.gz QYDADOAWODZOKX-DHIUTWEWSA-N 0 3 459.550 2.886 20 30 JFEDHN C#CCCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286334191 1060087390 /nfs/dbraw/zinc/08/73/90/1060087390.db2.gz FWOSNRAVOAKXLD-ZEQKJWHPSA-N 0 3 472.678 2.727 20 30 JFEDHN C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286384895 1060171410 /nfs/dbraw/zinc/17/14/10/1060171410.db2.gz KQCWNZQGXQNWPW-AQNXPRMDSA-N 0 3 463.692 2.959 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387213 1060198773 /nfs/dbraw/zinc/19/87/73/1060198773.db2.gz BLWSVGPVCJAOKT-FYYLOGMGSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387564 1060202001 /nfs/dbraw/zinc/20/20/01/1060202001.db2.gz SISHHYLJIHDESZ-FGZHOGPDSA-N 0 3 470.643 2.621 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387638 1060202618 /nfs/dbraw/zinc/20/26/18/1060202618.db2.gz HKUIICRJUXSLDW-IFMALSPDSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286387975 1060205702 /nfs/dbraw/zinc/20/57/02/1060205702.db2.gz JHQWJGGQWRGHST-UNMCSNQZSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388600 1060213214 /nfs/dbraw/zinc/21/32/14/1060213214.db2.gz SGXJOAXLVBSZCX-MOPGFXCFSA-N 0 3 479.050 2.597 20 30 JFEDHN C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393639 1060244959 /nfs/dbraw/zinc/24/49/59/1060244959.db2.gz RGFSVZZSUPEIOE-GHTZIAJQSA-N 0 3 490.699 2.525 20 30 JFEDHN C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286408531 1060291565 /nfs/dbraw/zinc/29/15/65/1060291565.db2.gz GSLZUZICRRDMOM-JOCHJYFZSA-N 0 3 467.017 2.538 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286408635 1060291755 /nfs/dbraw/zinc/29/17/55/1060291755.db2.gz IILDFDDMKNNZAU-HSZRJFAPSA-N 0 3 485.592 2.616 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](c1cccs1)N(C)C ZINC001286410024 1060296215 /nfs/dbraw/zinc/29/62/15/1060296215.db2.gz VRDZKKWMZBIGAL-IBGZPJMESA-N 0 3 481.651 2.675 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)CN1CCCCC1 ZINC001286420350 1060308424 /nfs/dbraw/zinc/30/84/24/1060308424.db2.gz DFIRZXSRPDYIOH-OAQYLSRUSA-N 0 3 467.639 2.934 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001286429631 1060320080 /nfs/dbraw/zinc/32/00/80/1060320080.db2.gz DJEQNPKAWGNCDL-XMMPIXPASA-N 0 3 460.626 2.847 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286433601 1060325628 /nfs/dbraw/zinc/32/56/28/1060325628.db2.gz XVNQUEMRQSZEMR-RJGXRXQPSA-N 0 3 497.688 2.538 20 30 JFEDHN C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001286449635 1060334742 /nfs/dbraw/zinc/33/47/42/1060334742.db2.gz BGSJIWRYJUWSTG-NRFANRHFSA-N 0 3 450.587 2.706 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC001286475097 1060388598 /nfs/dbraw/zinc/38/85/98/1060388598.db2.gz QMPRGMTVAXFHPH-RUZDIDTESA-N 0 3 475.641 2.709 20 30 JFEDHN C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001286479929 1060397524 /nfs/dbraw/zinc/39/75/24/1060397524.db2.gz JCIHQXZEDYETRO-XZOQPEGZSA-N 0 3 452.603 2.586 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](CC)N2CCc3ccccc3C2)CC1 ZINC001286492798 1060498720 /nfs/dbraw/zinc/49/87/20/1060498720.db2.gz PXTVTEFTXOWVFC-XMMPIXPASA-N 0 3 478.641 2.617 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286494510 1060508084 /nfs/dbraw/zinc/50/80/84/1060508084.db2.gz MWWPMGPHULYNSJ-BJKOFHAPSA-N 0 3 478.641 2.961 20 30 JFEDHN C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286507677 1060536989 /nfs/dbraw/zinc/53/69/89/1060536989.db2.gz CLHSCXNFORVETN-OFNKIYASSA-N 0 3 472.703 2.756 20 30 JFEDHN C=C(Br)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286540682 1060584276 /nfs/dbraw/zinc/58/42/76/1060584276.db2.gz QLAPIROHKHSHAG-IBGZPJMESA-N 0 3 491.409 2.659 20 30 JFEDHN C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286573121 1060663373 /nfs/dbraw/zinc/66/33/73/1060663373.db2.gz GINMCZGQLTWYIQ-HXUWFJFHSA-N 0 3 488.706 2.667 20 30 JFEDHN C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286573120 1060663434 /nfs/dbraw/zinc/66/34/34/1060663434.db2.gz GINMCZGQLTWYIQ-FQEVSTJZSA-N 0 3 488.706 2.667 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286603175 1060705625 /nfs/dbraw/zinc/70/56/25/1060705625.db2.gz NUZYCEMJWBFVJS-LJQANCHMSA-N 0 3 456.547 2.605 20 30 JFEDHN C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286627383 1060746848 /nfs/dbraw/zinc/74/68/48/1060746848.db2.gz ZYADXQLWHUYEQO-KKSFZXQISA-N 0 3 458.010 2.780 20 30 JFEDHN C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC001286633939 1060754811 /nfs/dbraw/zinc/75/48/11/1060754811.db2.gz NKHPQHJGLIMQLZ-UHFFFAOYSA-N 0 3 452.603 2.578 20 30 JFEDHN C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286670325 1060782087 /nfs/dbraw/zinc/78/20/87/1060782087.db2.gz GPDZSNQZDMEFSS-KNQAVFIVSA-N 0 3 468.650 2.660 20 30 JFEDHN C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001286759746 1060887832 /nfs/dbraw/zinc/88/78/32/1060887832.db2.gz GTVZHABAINLTMO-UHFFFAOYSA-N 0 3 460.630 2.996 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286782647 1060930003 /nfs/dbraw/zinc/93/00/03/1060930003.db2.gz AXCJKCAHGLFNBZ-MRXNPFEDSA-N 0 3 479.412 2.713 20 30 JFEDHN C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001286804790 1060992890 /nfs/dbraw/zinc/99/28/90/1060992890.db2.gz OHSIRBHNMLZKSC-SFHVURJKSA-N 0 3 492.466 2.843 20 30 JFEDHN C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286828425 1061076033 /nfs/dbraw/zinc/07/60/33/1061076033.db2.gz MSGBKFFREZVCEI-KNQAVFIVSA-N 0 3 469.659 2.638 20 30 JFEDHN C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001286834729 1061087022 /nfs/dbraw/zinc/08/70/22/1061087022.db2.gz KVLWLRTVYCHOAQ-SFHVURJKSA-N 0 3 490.699 2.878 20 30 JFEDHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@H]2C)CC1 ZINC001286871457 1061272771 /nfs/dbraw/zinc/27/27/71/1061272771.db2.gz OOUAKIYPFSLHOL-BWKNWUBXSA-N 0 3 493.656 2.748 20 30 JFEDHN CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 ZINC001287006259 1061925826 /nfs/dbraw/zinc/92/58/26/1061925826.db2.gz CHQHGTAIDFJLKK-JOCHJYFZSA-N 0 3 452.603 2.965 20 30 JFEDHN CCCN(CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294522246 1062058105 /nfs/dbraw/zinc/05/81/05/1062058105.db2.gz RLADUNFXJHNPJQ-JOCHJYFZSA-N 0 3 499.685 2.500 20 30 JFEDHN CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294524229 1062061452 /nfs/dbraw/zinc/06/14/52/1062061452.db2.gz PEXACQVGUCHOPW-NRFANRHFSA-N 0 3 458.632 2.952 20 30 JFEDHN CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001294656178 1062200800 /nfs/dbraw/zinc/20/08/00/1062200800.db2.gz FSBIPEWHDKMPKY-QFIPXVFZSA-N 0 3 470.643 2.810 20 30 JFEDHN CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287158765 1062553429 /nfs/dbraw/zinc/55/34/29/1062553429.db2.gz VVETUNPOYUVAIZ-FGZHOGPDSA-N 0 3 470.643 2.951 20 30 JFEDHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCCC1 ZINC001287161716 1062564650 /nfs/dbraw/zinc/56/46/50/1062564650.db2.gz YTQUENWIUDZSQI-VXKWHMMOSA-N 0 3 470.643 2.809 20 30 JFEDHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001291013281 1062920193 /nfs/dbraw/zinc/92/01/93/1062920193.db2.gz LBBRNUAZLSXRHY-ZVDOUQERSA-N 0 3 462.664 2.678 20 30 JFEDHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 ZINC001291068536 1063016238 /nfs/dbraw/zinc/01/62/38/1063016238.db2.gz PIRUJZWVFPEOTI-RFWXGWTQSA-N 0 3 462.664 2.821 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296010858 1064069684 /nfs/dbraw/zinc/06/96/84/1064069684.db2.gz MRLHMBUYOZTTSJ-SXWKCWPCSA-N 0 3 479.629 2.906 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001296132288 1064229287 /nfs/dbraw/zinc/22/92/87/1064229287.db2.gz AJSKMLJJKWHETC-LJQANCHMSA-N 0 3 455.582 2.762 20 30 JFEDHN CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291785406 1064281117 /nfs/dbraw/zinc/28/11/17/1064281117.db2.gz VNXZRXIIVSXHAI-DENIHFKCSA-N 0 3 488.658 2.863 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191761 1064342755 /nfs/dbraw/zinc/34/27/55/1064342755.db2.gz ANGHJIARBQQRDJ-NZQKXSOJSA-N 0 3 451.619 2.911 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296196612 1064368721 /nfs/dbraw/zinc/36/87/21/1064368721.db2.gz YKISYYVESJTDMT-DVECYGJZSA-N 0 3 457.573 2.724 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296196616 1064368861 /nfs/dbraw/zinc/36/88/61/1064368861.db2.gz YKISYYVESJTDMT-YADARESESA-N 0 3 457.573 2.724 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296196856 1064369805 /nfs/dbraw/zinc/36/98/05/1064369805.db2.gz VIXWEBKDTGYAHT-FKBYEOEOSA-N 0 3 481.645 2.616 20 30 JFEDHN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292252146 1065034266 /nfs/dbraw/zinc/03/42/66/1065034266.db2.gz NIFRTHYUYCNUIL-XZOQPEGZSA-N 0 3 481.645 2.758 20 30 JFEDHN CCc1noc(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001293192587 1065820657 /nfs/dbraw/zinc/82/06/57/1065820657.db2.gz TZIBVWJRTBSKQN-UHFFFAOYSA-N 0 3 490.612 2.714 20 30 JFEDHN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(CC)CCC(F)(F)F ZINC001293218478 1065862329 /nfs/dbraw/zinc/86/23/29/1065862329.db2.gz QZPQYFCCJDGBSD-SFHVURJKSA-N 0 3 463.508 2.806 20 30 JFEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)CCN1CCOC ZINC001294065545 1066535830 /nfs/dbraw/zinc/53/58/30/1066535830.db2.gz DBDDGNDMKIUTFJ-DEOSSOPVSA-N 0 3 489.624 2.984 20 30 JFEDHN CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909906 721560559 /nfs/dbraw/zinc/56/05/59/721560559.db2.gz VEDDSMFRHCMXLB-MISYRCLQSA-N 0 3 453.518 2.906 20 30 JFEDHN CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001265828613 1059931036 /nfs/dbraw/zinc/93/10/36/1059931036.db2.gz QYDADOAWODZOKX-GOTSBHOMSA-N 0 3 459.550 2.886 20 30 JFEDHN C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286334899 1060088496 /nfs/dbraw/zinc/08/84/96/1060088496.db2.gz CKTWJDBLPLRIAF-FYYLOGMGSA-N 0 3 470.662 2.745 20 30 JFEDHN C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001286362725 1060123089 /nfs/dbraw/zinc/12/30/89/1060123089.db2.gz FAJNRJOZSWOOMT-DHLKQENFSA-N 0 3 453.587 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286380685 1060148403 /nfs/dbraw/zinc/14/84/03/1060148403.db2.gz COGNZYBURJEFNY-LJQANCHMSA-N 0 3 469.611 2.906 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382041 1060153069 /nfs/dbraw/zinc/15/30/69/1060153069.db2.gz IRPDZHLJTZXOMM-URVUXULASA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383415 1060161805 /nfs/dbraw/zinc/16/18/05/1060161805.db2.gz MMDNRFNQVOMLLK-GOSISDBHSA-N 0 3 481.569 2.513 20 30 JFEDHN C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286386805 1060192458 /nfs/dbraw/zinc/19/24/58/1060192458.db2.gz HULFNCAUKRVQKM-QGZVFWFLSA-N 0 3 462.019 2.710 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387641 1060202773 /nfs/dbraw/zinc/20/27/73/1060202773.db2.gz HKUIICRJUXSLDW-UNMCSNQZSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388721 1060214110 /nfs/dbraw/zinc/21/41/10/1060214110.db2.gz BBQDPFZKXXULGQ-IFMALSPDSA-N 0 3 472.659 2.642 20 30 JFEDHN C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286390676 1060226974 /nfs/dbraw/zinc/22/69/74/1060226974.db2.gz DRQDKEAWVAVXSE-CTNGQTDRSA-N 0 3 482.654 2.707 20 30 JFEDHN C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286391218 1060230395 /nfs/dbraw/zinc/23/03/95/1060230395.db2.gz GZBUJVUXDZOMEZ-VWNXMTODSA-N 0 3 483.682 2.955 20 30 JFEDHN C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397193 1060268111 /nfs/dbraw/zinc/26/81/11/1060268111.db2.gz YCPYMHFLYUBAJH-LEWJYISDSA-N 0 3 463.692 2.861 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286398749 1060276588 /nfs/dbraw/zinc/27/65/88/1060276588.db2.gz OIMMUKNOJBSNSG-XRXFAXGQSA-N 0 3 479.691 2.554 20 30 JFEDHN C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286399593 1060279431 /nfs/dbraw/zinc/27/94/31/1060279431.db2.gz JWBRBXMDZWAHGQ-XMMPIXPASA-N 0 3 472.637 2.764 20 30 JFEDHN C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@H]1C ZINC001286418499 1060306187 /nfs/dbraw/zinc/30/61/87/1060306187.db2.gz CIWCBDOTPLGUPM-LJQANCHMSA-N 0 3 452.990 2.809 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C1CCCC1 ZINC001286422535 1060310516 /nfs/dbraw/zinc/31/05/16/1060310516.db2.gz ZVFDRXSZJSKLDM-UHFFFAOYSA-N 0 3 453.612 2.686 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001286424135 1060311953 /nfs/dbraw/zinc/31/19/53/1060311953.db2.gz ZPVVCBTXLAULHI-RCZVLFRGSA-N 0 3 453.562 2.835 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001286425944 1060314962 /nfs/dbraw/zinc/31/49/62/1060314962.db2.gz DKNNRKDQUBASSV-GOTSBHOMSA-N 0 3 460.582 2.538 20 30 JFEDHN C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286432558 1060324061 /nfs/dbraw/zinc/32/40/61/1060324061.db2.gz ONBGVWJBAXHRNS-QHCPKHFHSA-N 0 3 457.626 2.770 20 30 JFEDHN C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](CC)N1CCc2ccccc2C1 ZINC001286432714 1060324822 /nfs/dbraw/zinc/32/48/22/1060324822.db2.gz VDUVRZYSZBIBGN-DEOSSOPVSA-N 0 3 458.610 2.700 20 30 JFEDHN C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001286432715 1060324926 /nfs/dbraw/zinc/32/49/26/1060324926.db2.gz VDUVRZYSZBIBGN-XMMPIXPASA-N 0 3 458.610 2.700 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286433603 1060325756 /nfs/dbraw/zinc/32/57/56/1060325756.db2.gz XVNQUEMRQSZEMR-ZLNRFVROSA-N 0 3 497.688 2.538 20 30 JFEDHN C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286457698 1060339455 /nfs/dbraw/zinc/33/94/55/1060339455.db2.gz CMOWHJSOMVOILC-GGAORHGYSA-N 0 3 482.604 2.504 20 30 JFEDHN C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001286459363 1060342420 /nfs/dbraw/zinc/34/24/20/1060342420.db2.gz NMXYKTMFCOZJFQ-QFIPXVFZSA-N 0 3 459.598 2.637 20 30 JFEDHN C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001286466184 1060353294 /nfs/dbraw/zinc/35/32/94/1060353294.db2.gz XGEQOFIQCKHDJM-DNQXCXABSA-N 0 3 467.614 2.897 20 30 JFEDHN C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286498786 1060519591 /nfs/dbraw/zinc/51/95/91/1060519591.db2.gz ANNHYLWXVVESGD-GBXCKJPGSA-N 0 3 496.681 2.699 20 30 JFEDHN C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001286504612 1060529709 /nfs/dbraw/zinc/52/97/09/1060529709.db2.gz OOCIVPKTQWHJEZ-MOPGFXCFSA-N 0 3 479.654 2.960 20 30 JFEDHN C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001286504821 1060530967 /nfs/dbraw/zinc/53/09/67/1060530967.db2.gz QJPYKNWBQGCRGW-UHFFFAOYSA-N 0 3 479.654 2.962 20 30 JFEDHN C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286506134 1060533965 /nfs/dbraw/zinc/53/39/65/1060533965.db2.gz QIWSQGCBMVZEKR-RDPSFJRHSA-N 0 3 498.672 2.753 20 30 JFEDHN C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286506136 1060534199 /nfs/dbraw/zinc/53/41/99/1060534199.db2.gz QIWSQGCBMVZEKR-YKSBVNFPSA-N 0 3 498.672 2.753 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001286527180 1060559512 /nfs/dbraw/zinc/55/95/12/1060559512.db2.gz DDPHHYSMVHZLSU-AJTFRIOCSA-N 0 3 475.641 2.994 20 30 JFEDHN C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001286530277 1060563297 /nfs/dbraw/zinc/56/32/97/1060563297.db2.gz KXVSYARLYCPUMO-IBGZPJMESA-N 0 3 496.498 2.710 20 30 JFEDHN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286601661 1060703340 /nfs/dbraw/zinc/70/33/40/1060703340.db2.gz SBRNSBKKFFXDJS-HYBUGGRVSA-N 0 3 477.613 2.684 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286604252 1060708352 /nfs/dbraw/zinc/70/83/52/1060708352.db2.gz HKFSJVQOGAWAOF-OFVILXPXSA-N 0 3 496.656 2.925 20 30 JFEDHN C=C(Cl)Cn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286636164 1060756804 /nfs/dbraw/zinc/75/68/04/1060756804.db2.gz NDJFHYVKSDIHPT-LJQANCHMSA-N 0 3 489.020 2.751 20 30 JFEDHN C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286673044 1060787578 /nfs/dbraw/zinc/78/75/78/1060787578.db2.gz SZGYZGHELPLLHJ-NNWRFLSQSA-N 0 3 458.651 2.763 20 30 JFEDHN C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286770412 1060903042 /nfs/dbraw/zinc/90/30/42/1060903042.db2.gz KFZJANBJBNFZLB-UHFFFAOYSA-N 0 3 489.418 2.647 20 30 JFEDHN C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001286779720 1060921053 /nfs/dbraw/zinc/92/10/53/1060921053.db2.gz KIVJVYJUWIHDFT-NFBKMPQASA-N 0 3 466.630 2.812 20 30 JFEDHN C=CCOc1ccc(Cn2c(C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794641 1060969053 /nfs/dbraw/zinc/96/90/53/1060969053.db2.gz MYBZPKQXHJKOTC-YADARESESA-N 0 3 452.603 2.579 20 30 JFEDHN C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286827145 1061074388 /nfs/dbraw/zinc/07/43/88/1061074388.db2.gz FFHOUFSXNYTOLC-OAQYLSRUSA-N 0 3 470.643 2.616 20 30 JFEDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 ZINC001286974823 1061770867 /nfs/dbraw/zinc/77/08/67/1061770867.db2.gz ATXLZHNECHGUSF-MOPGFXCFSA-N 0 3 488.658 2.861 20 30 JFEDHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 ZINC001286977210 1061789939 /nfs/dbraw/zinc/78/99/39/1061789939.db2.gz HDAPUAJGCURNDZ-ROUUACIJSA-N 0 3 458.632 2.949 20 30 JFEDHN CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO ZINC001287031074 1061982744 /nfs/dbraw/zinc/98/27/44/1061982744.db2.gz VXIQEVAVYMBROF-UHFFFAOYSA-N 0 3 454.619 2.850 20 30 JFEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001287456685 1062894243 /nfs/dbraw/zinc/89/42/43/1062894243.db2.gz IIKMPCFWRUMTGK-CJFMBICVSA-N 0 3 452.603 2.600 20 30 JFEDHN CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295162033 1062986017 /nfs/dbraw/zinc/98/60/17/1062986017.db2.gz MWXKYNXNHIBDGP-IPJJNNNSSA-N 0 3 470.643 2.951 20 30 JFEDHN CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295173604 1062997128 /nfs/dbraw/zinc/99/71/28/1062997128.db2.gz FKSOSRYFIACAEZ-HXUWFJFHSA-N 0 3 456.616 2.705 20 30 JFEDHN CC1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291181492 1063275199 /nfs/dbraw/zinc/27/51/99/1063275199.db2.gz JIPUBLJVDJAEPI-NRFANRHFSA-N 0 3 456.616 2.562 20 30 JFEDHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccsc1 ZINC001295397251 1063383636 /nfs/dbraw/zinc/38/36/36/1063383636.db2.gz LQWGDNDNACQYGG-OAQYLSRUSA-N 0 3 467.647 2.971 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001295481851 1063494991 /nfs/dbraw/zinc/49/49/91/1063494991.db2.gz BHMGCIHVBZPYOC-IRLDBZIGSA-N 0 3 479.629 2.622 20 30 JFEDHN CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291365427 1063886411 /nfs/dbraw/zinc/88/64/11/1063886411.db2.gz IHKCSSSBSJNYNL-RDGATRHJSA-N 0 3 451.619 2.582 20 30 JFEDHN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001291388731 1063937888 /nfs/dbraw/zinc/93/78/88/1063937888.db2.gz BRRCOKAIMMYOKH-PIBDYAPNSA-N 0 3 452.603 2.772 20 30 JFEDHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291390465 1063940893 /nfs/dbraw/zinc/94/08/93/1063940893.db2.gz XWYNHBDVGSGKLD-FNZWTVRRSA-N 0 3 481.645 2.604 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001296014033 1064075653 /nfs/dbraw/zinc/07/56/53/1064075653.db2.gz XPFKSYLXRIISBD-IUKKYPGJSA-N 0 3 456.616 2.516 20 30 JFEDHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296056489 1064117596 /nfs/dbraw/zinc/11/75/96/1064117596.db2.gz LPFCKQVTHLMQQD-QFIPXVFZSA-N 0 3 465.602 2.523 20 30 JFEDHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001296079183 1064146048 /nfs/dbraw/zinc/14/60/48/1064146048.db2.gz CTGHUHOBQIMERI-FCHUYYIVSA-N 0 3 465.602 2.740 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644465 1064198346 /nfs/dbraw/zinc/19/83/46/1064198346.db2.gz XUFLNSQWGLULNC-HYHOCUEZSA-N 0 3 457.623 2.876 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001296132395 1064229643 /nfs/dbraw/zinc/22/96/43/1064229643.db2.gz BHYJTQMOJSUNFV-HXUWFJFHSA-N 0 3 463.586 2.984 20 30 JFEDHN CCN1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296213030 1064406634 /nfs/dbraw/zinc/40/66/34/1064406634.db2.gz FHUWVYDEAIRKNG-NRFANRHFSA-N 0 3 469.659 2.635 20 30 JFEDHN CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC001292460597 1065189096 /nfs/dbraw/zinc/18/90/96/1065189096.db2.gz JEQGASMYHXUUGO-BJESRGMDSA-N 0 3 468.602 2.596 20 30 JFEDHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483197 1065204640 /nfs/dbraw/zinc/20/46/40/1065204640.db2.gz BYBJKJUGUJZZEW-KKLKEOMVSA-N 0 3 477.613 2.953 20 30 JFEDHN CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001293834487 1066339061 /nfs/dbraw/zinc/33/90/61/1066339061.db2.gz JIVFOLKHVVJSPC-FNZWTVRRSA-N 0 3 482.629 2.969 20 30 JFEDHN CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCN1CCOC ZINC001294069902 1066540421 /nfs/dbraw/zinc/54/04/21/1066540421.db2.gz ZQTDIJWHQILJRB-DHLKQENFSA-N 0 3 468.602 2.559 20 30 JFEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903490 721554276 /nfs/dbraw/zinc/55/42/76/721554276.db2.gz BNNLVEGJINETCE-DFQSSKMNSA-N 0 3 461.497 2.891 20 30 JFEDHN C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001286314889 1060075766 /nfs/dbraw/zinc/07/57/66/1060075766.db2.gz IEVPIMQKZPTNQV-VQTJNVASSA-N 0 3 472.659 2.918 20 30 JFEDHN C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286314943 1060076275 /nfs/dbraw/zinc/07/62/75/1060076275.db2.gz JMUPFJLLALXMFM-JOCHJYFZSA-N 0 3 466.630 2.982 20 30 JFEDHN C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001286362728 1060123110 /nfs/dbraw/zinc/12/31/10/1060123110.db2.gz FAJNRJOZSWOOMT-WIOPSUGQSA-N 0 3 453.587 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383265 1060160943 /nfs/dbraw/zinc/16/09/43/1060160943.db2.gz LXQMEEJZOFOGEL-RBBKRZOGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387550 1060201394 /nfs/dbraw/zinc/20/13/94/1060201394.db2.gz GIGGOISUVDZRFS-LJQANCHMSA-N 0 3 450.008 2.565 20 30 JFEDHN C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387683 1060203433 /nfs/dbraw/zinc/20/34/33/1060203433.db2.gz UBVGNGAGAIQQHF-WOJBJXKFSA-N 0 3 473.643 2.557 20 30 JFEDHN C#CCN(c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286392754 1060240240 /nfs/dbraw/zinc/24/02/40/1060240240.db2.gz NLKHLSPPFAVYJV-JOCHJYFZSA-N 0 3 469.655 2.564 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286393892 1060246197 /nfs/dbraw/zinc/24/61/97/1060246197.db2.gz LIYQWUDWOUYBGV-RXVVDRJESA-N 0 3 478.062 2.879 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286393907 1060246940 /nfs/dbraw/zinc/24/69/40/1060246940.db2.gz LQWAJJUYZMPIHR-XZOQPEGZSA-N 0 3 487.645 2.755 20 30 JFEDHN C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286394194 1060249588 /nfs/dbraw/zinc/24/95/88/1060249588.db2.gz VECYESAMVNVAGP-TZIWHRDSSA-N 0 3 475.684 2.822 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395178 1060254206 /nfs/dbraw/zinc/25/42/06/1060254206.db2.gz RGJFRFGYCWRWRL-NFBKMPQASA-N 0 3 487.645 2.899 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286398709 1060276159 /nfs/dbraw/zinc/27/61/59/1060276159.db2.gz MZZBDVWIAJUCMH-YPAWHYETSA-N 0 3 491.702 2.698 20 30 JFEDHN C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001286449636 1060334798 /nfs/dbraw/zinc/33/47/98/1060334798.db2.gz BGSJIWRYJUWSTG-OAQYLSRUSA-N 0 3 450.587 2.706 20 30 JFEDHN C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286450033 1060334978 /nfs/dbraw/zinc/33/49/78/1060334978.db2.gz LWRDIXYFDOTHDN-QHCPKHFHSA-N 0 3 461.614 2.683 20 30 JFEDHN C#CCSCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286497976 1060517808 /nfs/dbraw/zinc/51/78/08/1060517808.db2.gz ZYCWKIICOUCDPI-HSZRJFAPSA-N 0 3 480.682 2.931 20 30 JFEDHN C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001286508092 1060537911 /nfs/dbraw/zinc/53/79/11/1060537911.db2.gz IJCJOGKEDVFAQA-NRFANRHFSA-N 0 3 469.655 2.956 20 30 JFEDHN C=C(Br)Cn1c(C(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286529952 1060561748 /nfs/dbraw/zinc/56/17/48/1060561748.db2.gz BCTOOAXMTMYWEJ-YJBOKZPZSA-N 0 3 453.429 2.689 20 30 JFEDHN C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001286545544 1060592689 /nfs/dbraw/zinc/59/26/89/1060592689.db2.gz YVHVBCRGQPFVKH-UHFFFAOYSA-N 0 3 496.479 2.533 20 30 JFEDHN C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001286548116 1060600090 /nfs/dbraw/zinc/60/00/90/1060600090.db2.gz LWFKPBJQDRNKOE-ZCNNSNEGSA-N 0 3 497.482 2.515 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC001286560700 1060634692 /nfs/dbraw/zinc/63/46/92/1060634692.db2.gz HWVMMBWBYXJORX-HJNYFJLDSA-N 0 3 457.623 2.597 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC001286560698 1060634742 /nfs/dbraw/zinc/63/47/42/1060634742.db2.gz HWVMMBWBYXJORX-BVSLBCMMSA-N 0 3 457.623 2.597 20 30 JFEDHN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286601657 1060703467 /nfs/dbraw/zinc/70/34/67/1060703467.db2.gz SBRNSBKKFFXDJS-GBXCKJPGSA-N 0 3 477.613 2.684 20 30 JFEDHN C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001286607506 1060717244 /nfs/dbraw/zinc/71/72/44/1060717244.db2.gz QNKNZCOGJDLPJJ-RBUKOAKNSA-N 0 3 475.663 2.750 20 30 JFEDHN C=C(C)COCCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286613788 1060727593 /nfs/dbraw/zinc/72/75/93/1060727593.db2.gz FTNGLCYJVBVVKF-SQJMNOBHSA-N 0 3 477.650 2.601 20 30 JFEDHN C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1)c1ccccc1 ZINC001286615549 1060729959 /nfs/dbraw/zinc/72/99/59/1060729959.db2.gz PJVGDBWCULIQAW-UHFFFAOYSA-N 0 3 476.629 2.927 20 30 JFEDHN C=C(Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618994 1060734765 /nfs/dbraw/zinc/73/47/65/1060734765.db2.gz LAUYKKPFKRUBNQ-XUZZJYLKSA-N 0 3 466.630 2.907 20 30 JFEDHN C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286620720 1060737587 /nfs/dbraw/zinc/73/75/87/1060737587.db2.gz RPMYMKANTBKPFN-UHFFFAOYSA-N 0 3 479.412 2.915 20 30 JFEDHN C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286627382 1060746904 /nfs/dbraw/zinc/74/69/04/1060746904.db2.gz ZYADXQLWHUYEQO-IIBYNOLFSA-N 0 3 458.010 2.780 20 30 JFEDHN C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286673041 1060787696 /nfs/dbraw/zinc/78/76/96/1060787696.db2.gz SZGYZGHELPLLHJ-CEMLEFRQSA-N 0 3 458.651 2.763 20 30 JFEDHN C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286689465 1060802560 /nfs/dbraw/zinc/80/25/60/1060802560.db2.gz QYLKWYCCJXUWPR-FQEVSTJZSA-N 0 3 457.648 2.733 20 30 JFEDHN C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286689466 1060802658 /nfs/dbraw/zinc/80/26/58/1060802658.db2.gz QYLKWYCCJXUWPR-HXUWFJFHSA-N 0 3 457.648 2.733 20 30 JFEDHN C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001286701383 1060813915 /nfs/dbraw/zinc/81/39/15/1060813915.db2.gz YQTQRQNHEURAGB-JOCHJYFZSA-N 0 3 468.602 2.747 20 30 JFEDHN C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001286709947 1060828274 /nfs/dbraw/zinc/82/82/74/1060828274.db2.gz IYZIKMNLYJIQEM-UHFFFAOYSA-N 0 3 465.602 2.705 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001286782087 1060928047 /nfs/dbraw/zinc/92/80/47/1060928047.db2.gz JZTNTNPDZKTPJE-UONOGXRCSA-N 0 3 467.437 2.990 20 30 JFEDHN C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC001286797294 1060975664 /nfs/dbraw/zinc/97/56/64/1060975664.db2.gz VAXIGESRLWSSET-WOJBJXKFSA-N 0 3 452.603 2.933 20 30 JFEDHN C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286828424 1061076163 /nfs/dbraw/zinc/07/61/63/1061076163.db2.gz MSGBKFFREZVCEI-DENIHFKCSA-N 0 3 469.659 2.638 20 30 JFEDHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286871460 1061272709 /nfs/dbraw/zinc/27/27/09/1061272709.db2.gz OOUAKIYPFSLHOL-SQJMNOBHSA-N 0 3 493.656 2.748 20 30 JFEDHN CC(C)(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001286986954 1061867250 /nfs/dbraw/zinc/86/72/50/1061867250.db2.gz YOQCUCQJTBMQSP-QFIPXVFZSA-N 0 3 479.629 2.528 20 30 JFEDHN Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001290158440 1061900212 /nfs/dbraw/zinc/90/02/12/1061900212.db2.gz KHHYYOSWGWZAMZ-HSZRJFAPSA-N 0 3 463.630 2.860 20 30 JFEDHN CCCN(CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294522495 1062057761 /nfs/dbraw/zinc/05/77/61/1062057761.db2.gz DBEVVLREGLRXMZ-UHFFFAOYSA-N 0 3 458.632 2.952 20 30 JFEDHN CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287158727 1062552943 /nfs/dbraw/zinc/55/29/43/1062552943.db2.gz UXMHTEZQOUKZSD-SFTDATJTSA-N 0 3 456.616 2.560 20 30 JFEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 ZINC001287456666 1062894120 /nfs/dbraw/zinc/89/41/20/1062894120.db2.gz HSLQCXODEUCYHJ-HSZRJFAPSA-N 0 3 452.603 2.866 20 30 JFEDHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287482677 1062939733 /nfs/dbraw/zinc/93/97/33/1062939733.db2.gz XNYAQPYXOVHOOS-QURGRASLSA-N 0 3 457.623 2.561 20 30 JFEDHN CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001287761155 1063086718 /nfs/dbraw/zinc/08/67/18/1063086718.db2.gz QRWQQIBTGREAPZ-UHFFFAOYSA-N 0 3 451.619 2.706 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001295481850 1063494970 /nfs/dbraw/zinc/49/49/70/1063494970.db2.gz BHMGCIHVBZPYOC-IFMALSPDSA-N 0 3 479.629 2.622 20 30 JFEDHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291388730 1063937859 /nfs/dbraw/zinc/93/78/59/1063937859.db2.gz BRRCOKAIMMYOKH-OWHZGTRUSA-N 0 3 452.603 2.772 20 30 JFEDHN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291390468 1063941305 /nfs/dbraw/zinc/94/13/05/1063941305.db2.gz XWYNHBDVGSGKLD-RXFWQSSRSA-N 0 3 481.645 2.604 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296012110 1064072524 /nfs/dbraw/zinc/07/25/24/1064072524.db2.gz RKAGMDZJEWFZJU-WFHKKQPCSA-N 0 3 493.612 2.611 20 30 JFEDHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296012439 1064073226 /nfs/dbraw/zinc/07/32/26/1064073226.db2.gz STACESSPSHKDIY-RTBURBONSA-N 0 3 467.618 2.810 20 30 JFEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291568422 1064095928 /nfs/dbraw/zinc/09/59/28/1064095928.db2.gz BMVHJIOTSUDJKP-NRFANRHFSA-N 0 3 479.629 2.624 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291610883 1064148722 /nfs/dbraw/zinc/14/87/22/1064148722.db2.gz RHGBTWPHNOLMJS-QPPBQGQZSA-N 0 3 492.672 2.933 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296127646 1064221946 /nfs/dbraw/zinc/22/19/46/1064221946.db2.gz WICJTGYHJCIBGG-VQTJNVASSA-N 0 3 451.619 2.846 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296130318 1064223775 /nfs/dbraw/zinc/22/37/75/1064223775.db2.gz CQUBBZQFSGVPSA-OAQYLSRUSA-N 0 3 458.614 2.798 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296133584 1064234085 /nfs/dbraw/zinc/23/40/85/1064234085.db2.gz JBSLSKCXCLEYCJ-LJQANCHMSA-N 0 3 455.582 2.762 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296133917 1064234977 /nfs/dbraw/zinc/23/49/77/1064234977.db2.gz LGIQPNRSAOVAHO-OAQYLSRUSA-N 0 3 476.629 2.885 20 30 JFEDHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(C)C)C2)CC1 ZINC001296179337 1064308705 /nfs/dbraw/zinc/30/87/05/1064308705.db2.gz FKOZNSPFLGCJLQ-HSZRJFAPSA-N 0 3 451.619 2.848 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190360 1064337798 /nfs/dbraw/zinc/33/77/98/1064337798.db2.gz CKGJMPCCHVMDBF-UUOWRZLLSA-N 0 3 475.563 2.863 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190357 1064337960 /nfs/dbraw/zinc/33/79/60/1064337960.db2.gz CKGJMPCCHVMDBF-HOYKHHGWSA-N 0 3 475.563 2.863 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296196394 1064366497 /nfs/dbraw/zinc/36/64/97/1064366497.db2.gz SVCQEFYQZBREHP-FCHUYYIVSA-N 0 3 483.686 2.881 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296196395 1064366637 /nfs/dbraw/zinc/36/66/37/1064366637.db2.gz SVCQEFYQZBREHP-FGZHOGPDSA-N 0 3 483.686 2.881 20 30 JFEDHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001296330025 1064629157 /nfs/dbraw/zinc/62/91/57/1064629157.db2.gz OROYPIYMXCVLCL-UXHICEINSA-N 0 3 499.666 2.699 20 30 JFEDHN CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001292276788 1065053373 /nfs/dbraw/zinc/05/33/73/1065053373.db2.gz UPEOMFASFWMBQB-RDPSFJRHSA-N 0 3 493.656 2.747 20 30 JFEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC001293045244 1065709863 /nfs/dbraw/zinc/70/98/63/1065709863.db2.gz FJYLDBCTXCMHND-UHFFFAOYSA-N 0 3 459.999 2.990 20 30 JFEDHN CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001293834488 1066339110 /nfs/dbraw/zinc/33/91/10/1066339110.db2.gz JIVFOLKHVVJSPC-RXFWQSSRSA-N 0 3 482.629 2.969 20 30 JFEDHN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1F ZINC001164738960 720705302 /nfs/dbraw/zinc/70/53/02/720705302.db2.gz LPXUJVUPUYLEKX-HOTGVXAUSA-N 0 3 451.893 2.940 20 30 JFEDHN C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCN1CCN(CC)CC1 ZINC001286288504 1060045473 /nfs/dbraw/zinc/04/54/73/1060045473.db2.gz HHHKPXMDDKEAIO-NRFANRHFSA-N 0 3 490.656 2.721 20 30 JFEDHN C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286314838 1060075826 /nfs/dbraw/zinc/07/58/26/1060075826.db2.gz HQMIPEMYHZTHPW-QGZVFWFLSA-N 0 3 461.408 2.998 20 30 JFEDHN C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286314944 1060076553 /nfs/dbraw/zinc/07/65/53/1060076553.db2.gz JMUPFJLLALXMFM-QFIPXVFZSA-N 0 3 466.630 2.982 20 30 JFEDHN C#CCCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286334188 1060087530 /nfs/dbraw/zinc/08/75/30/1060087530.db2.gz FWOSNRAVOAKXLD-JYFHCDHNSA-N 0 3 472.678 2.727 20 30 JFEDHN C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001286362727 1060123155 /nfs/dbraw/zinc/12/31/55/1060123155.db2.gz FAJNRJOZSWOOMT-RDGATRHJSA-N 0 3 453.587 2.845 20 30 JFEDHN C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001286378699 1060142091 /nfs/dbraw/zinc/14/20/91/1060142091.db2.gz WZFCHZFKLWEOMA-LJQANCHMSA-N 0 3 489.462 2.963 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286384209 1060168515 /nfs/dbraw/zinc/16/85/15/1060168515.db2.gz QCWRATAZRNSOFF-SFHVURJKSA-N 0 3 495.596 2.761 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387639 1060202726 /nfs/dbraw/zinc/20/27/26/1060202726.db2.gz HKUIICRJUXSLDW-IRLDBZIGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(C2CC2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286389277 1060219803 /nfs/dbraw/zinc/21/98/03/1060219803.db2.gz HEBIKZRXVJEILG-KNQAVFIVSA-N 0 3 455.628 2.693 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286390704 1060226862 /nfs/dbraw/zinc/22/68/62/1060226862.db2.gz BDWBDCUGGQNFTI-BDTNDASRSA-N 0 3 477.675 2.657 20 30 JFEDHN C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286390678 1060227080 /nfs/dbraw/zinc/22/70/80/1060227080.db2.gz DRQDKEAWVAVXSE-FPOVZHCZSA-N 0 3 482.654 2.707 20 30 JFEDHN C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286393654 1060245496 /nfs/dbraw/zinc/24/54/96/1060245496.db2.gz RGFSVZZSUPEIOE-RXVVDRJESA-N 0 3 490.699 2.525 20 30 JFEDHN C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286394250 1060249420 /nfs/dbraw/zinc/24/94/20/1060249420.db2.gz HYCULINDOBEWTG-DHIUTWEWSA-N 0 3 499.681 2.913 20 30 JFEDHN C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286394191 1060249527 /nfs/dbraw/zinc/24/95/27/1060249527.db2.gz VECYESAMVNVAGP-PZJWPPBQSA-N 0 3 475.684 2.822 20 30 JFEDHN C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397993 1060271090 /nfs/dbraw/zinc/27/10/90/1060271090.db2.gz VTUUCPXQFFOYHG-FCHUYYIVSA-N 0 3 485.654 2.524 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286408636 1060291492 /nfs/dbraw/zinc/29/14/92/1060291492.db2.gz IILDFDDMKNNZAU-QHCPKHFHSA-N 0 3 485.592 2.616 20 30 JFEDHN C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001286466183 1060353459 /nfs/dbraw/zinc/35/34/59/1060353459.db2.gz XGEQOFIQCKHDJM-BJKOFHAPSA-N 0 3 467.614 2.897 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286473676 1060376594 /nfs/dbraw/zinc/37/65/94/1060376594.db2.gz QKNLFRDJZVGJLI-WOJBJXKFSA-N 0 3 488.583 2.801 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(CC)CCC(F)(F)F)CC1 ZINC001286473714 1060377676 /nfs/dbraw/zinc/37/76/76/1060377676.db2.gz ROKBGKBBCRFYLJ-UHFFFAOYSA-N 0 3 464.536 2.983 20 30 JFEDHN C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286498791 1060520194 /nfs/dbraw/zinc/52/01/94/1060520194.db2.gz ANNHYLWXVVESGD-YKSBVNFPSA-N 0 3 496.681 2.699 20 30 JFEDHN C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286504794 1060530301 /nfs/dbraw/zinc/53/03/01/1060530301.db2.gz UGHCDMBXWNAEOI-OFNKIYASSA-N 0 3 496.681 2.699 20 30 JFEDHN C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001286532428 1060568644 /nfs/dbraw/zinc/56/86/44/1060568644.db2.gz DTFLHEKCEBENBW-GOSISDBHSA-N 0 3 457.376 2.884 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286547627 1060597621 /nfs/dbraw/zinc/59/76/21/1060597621.db2.gz PGXBGIAEBMTSFE-LGKPFJOYSA-N 0 3 458.651 2.762 20 30 JFEDHN C=C(Br)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 ZINC001286548739 1060603924 /nfs/dbraw/zinc/60/39/24/1060603924.db2.gz QCJIXNIYRJJYKY-LAUBAEHRSA-N 0 3 484.439 2.528 20 30 JFEDHN C=C(C)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001286595978 1060695925 /nfs/dbraw/zinc/69/59/25/1060695925.db2.gz PHOPKNBSLNWZQU-PSWAGMNNSA-N 0 3 481.689 2.764 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286603924 1060707070 /nfs/dbraw/zinc/70/70/70/1060707070.db2.gz BRWVLFUJZZQMDT-UHFFFAOYSA-N 0 3 473.021 2.936 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001286606725 1060715763 /nfs/dbraw/zinc/71/57/63/1060715763.db2.gz YYVCMFVVDDHIJU-QFIPXVFZSA-N 0 3 453.635 2.846 20 30 JFEDHN C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286609579 1060720553 /nfs/dbraw/zinc/72/05/53/1060720553.db2.gz MUXMZTFMTRAFSF-QFIPXVFZSA-N 0 3 487.048 2.858 20 30 JFEDHN C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001286622342 1060738902 /nfs/dbraw/zinc/73/89/02/1060738902.db2.gz FRFFXWVUDSFZDN-UHFFFAOYSA-N 0 3 467.039 2.868 20 30 JFEDHN C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286624020 1060742155 /nfs/dbraw/zinc/74/21/55/1060742155.db2.gz QAQIYDAOHDUFPS-LJQANCHMSA-N 0 3 491.036 2.940 20 30 JFEDHN C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286631733 1060752746 /nfs/dbraw/zinc/75/27/46/1060752746.db2.gz VNOPSUCOIMCNRA-UHFFFAOYSA-N 0 3 473.021 2.569 20 30 JFEDHN C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286699626 1060809714 /nfs/dbraw/zinc/80/97/14/1060809714.db2.gz FXHCMDTYVLVYRV-NRFANRHFSA-N 0 3 490.649 2.854 20 30 JFEDHN C=CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286702004 1060815113 /nfs/dbraw/zinc/81/51/13/1060815113.db2.gz DGVSQJRQFSAMQM-OAQYLSRUSA-N 0 3 458.557 2.856 20 30 JFEDHN C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001286778911 1060917223 /nfs/dbraw/zinc/91/72/23/1060917223.db2.gz FPLLFBMDGAVZLK-QHCPKHFHSA-N 0 3 466.630 2.671 20 30 JFEDHN C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001286797292 1060975731 /nfs/dbraw/zinc/97/57/31/1060975731.db2.gz VAXIGESRLWSSET-UXHICEINSA-N 0 3 452.603 2.933 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001286803827 1060991040 /nfs/dbraw/zinc/99/10/40/1060991040.db2.gz KDXUKNFTAISOSH-NZQKXSOJSA-N 0 3 454.619 2.761 20 30 JFEDHN C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286826240 1061073304 /nfs/dbraw/zinc/07/33/04/1061073304.db2.gz BPWPYGLPSLGYHJ-UHFFFAOYSA-N 0 3 485.614 2.517 20 30 JFEDHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 ZINC001286974826 1061771115 /nfs/dbraw/zinc/77/11/15/1061771115.db2.gz ATXLZHNECHGUSF-RTBURBONSA-N 0 3 488.658 2.861 20 30 JFEDHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 ZINC001286977202 1061790083 /nfs/dbraw/zinc/79/00/83/1061790083.db2.gz HDAPUAJGCURNDZ-MSOLQXFVSA-N 0 3 458.632 2.949 20 30 JFEDHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041600 1062009908 /nfs/dbraw/zinc/00/99/08/1062009908.db2.gz NMNOTKLLSBPFNM-ZQKSFYQXSA-N 0 3 485.633 2.604 20 30 JFEDHN Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001290435000 1062202042 /nfs/dbraw/zinc/20/20/42/1062202042.db2.gz CZBROUYKBHNMPH-HXUWFJFHSA-N 0 3 455.563 2.634 20 30 JFEDHN CCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O ZINC001294699644 1062264328 /nfs/dbraw/zinc/26/43/28/1062264328.db2.gz PEFNQNSBOKZSRW-NRFANRHFSA-N 0 3 458.632 2.952 20 30 JFEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)C(C)C ZINC001287457456 1062896122 /nfs/dbraw/zinc/89/61/22/1062896122.db2.gz WSOPTZOYYSBOLV-UHFFFAOYSA-N 0 3 451.619 2.833 20 30 JFEDHN CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295162031 1062985954 /nfs/dbraw/zinc/98/59/54/1062985954.db2.gz MWXKYNXNHIBDGP-CNNODRBYSA-N 0 3 470.643 2.951 20 30 JFEDHN C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001291105713 1063088866 /nfs/dbraw/zinc/08/88/66/1063088866.db2.gz MROFZOGSALPOGX-LQWHRVPQSA-N 0 3 456.616 2.560 20 30 JFEDHN CC1CCN(C[C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001291179572 1063268351 /nfs/dbraw/zinc/26/83/51/1063268351.db2.gz HGQFYQWEHWDDCB-NRFANRHFSA-N 0 3 470.643 2.810 20 30 JFEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)CCC(F)(F)F ZINC001295827021 1063836035 /nfs/dbraw/zinc/83/60/35/1063836035.db2.gz JCKGSGKWFMRYIS-LJQANCHMSA-N 0 3 490.534 2.647 20 30 JFEDHN CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001291365426 1063886490 /nfs/dbraw/zinc/88/64/90/1063886490.db2.gz IHKCSSSBSJNYNL-RCZVLFRGSA-N 0 3 451.619 2.582 20 30 JFEDHN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291390467 1063940838 /nfs/dbraw/zinc/94/08/38/1063940838.db2.gz XWYNHBDVGSGKLD-IBVKSMDESA-N 0 3 481.645 2.604 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001296014031 1064075536 /nfs/dbraw/zinc/07/55/36/1064075536.db2.gz XPFKSYLXRIISBD-BSRJHKFKSA-N 0 3 456.616 2.516 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@H]1C ZINC001296014032 1064075635 /nfs/dbraw/zinc/07/56/35/1064075635.db2.gz XPFKSYLXRIISBD-IEGUWTFLSA-N 0 3 456.616 2.516 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291568424 1064095797 /nfs/dbraw/zinc/09/57/97/1064095797.db2.gz BMVHJIOTSUDJKP-OAQYLSRUSA-N 0 3 479.629 2.624 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296135488 1064240171 /nfs/dbraw/zinc/24/01/71/1064240171.db2.gz ZGLGXLOAMNCRBN-RTWAWAEBSA-N 0 3 451.619 2.991 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296196396 1064367180 /nfs/dbraw/zinc/36/71/80/1064367180.db2.gz SVCQEFYQZBREHP-VXKWHMMOSA-N 0 3 483.686 2.881 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296196871 1064370467 /nfs/dbraw/zinc/37/04/67/1064370467.db2.gz VNVIIKDRPDXYQN-XUZZJYLKSA-N 0 3 481.645 2.618 20 30 JFEDHN CCNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001296250170 1064512962 /nfs/dbraw/zinc/51/29/62/1064512962.db2.gz URZOLDGWVIGEFB-UHFFFAOYSA-N 0 3 467.618 2.669 20 30 JFEDHN CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292252143 1065034237 /nfs/dbraw/zinc/03/42/37/1065034237.db2.gz NIFRTHYUYCNUIL-DHIUTWEWSA-N 0 3 481.645 2.758 20 30 JFEDHN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc12 ZINC001292406853 1065141077 /nfs/dbraw/zinc/14/10/77/1065141077.db2.gz RDCLYCMDSFBUSP-INIZCTEOSA-N 0 3 452.584 2.524 20 30 JFEDHN CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293640914 1066157547 /nfs/dbraw/zinc/15/75/47/1066157547.db2.gz WHLOOKJEUADDRQ-FYYLOGMGSA-N 0 3 481.645 2.760 20 30 JFEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979660 722142392 /nfs/dbraw/zinc/14/23/92/722142392.db2.gz LROTUGYIDKFYOR-MZKRTTBSSA-N 0 3 472.549 2.532 20 30 JFEDHN C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286302203 1060054260 /nfs/dbraw/zinc/05/42/60/1060054260.db2.gz RMZXGQVLYJMMLN-WIYYLYMNSA-N 0 3 473.021 2.911 20 30 JFEDHN C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001286314886 1060076030 /nfs/dbraw/zinc/07/60/30/1060076030.db2.gz IEVPIMQKZPTNQV-PMACEKPBSA-N 0 3 472.659 2.918 20 30 JFEDHN C#CCCCCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286334187 1060087569 /nfs/dbraw/zinc/08/75/69/1060087569.db2.gz FWOSNRAVOAKXLD-BVAGGSTKSA-N 0 3 472.678 2.727 20 30 JFEDHN C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286342473 1060097710 /nfs/dbraw/zinc/09/77/10/1060097710.db2.gz QUTWQKGBAXRLPE-QPPBQGQZSA-N 0 3 494.640 2.973 20 30 JFEDHN C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001286362726 1060123189 /nfs/dbraw/zinc/12/31/89/1060123189.db2.gz FAJNRJOZSWOOMT-RCZVLFRGSA-N 0 3 453.587 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382408 1060155272 /nfs/dbraw/zinc/15/52/72/1060155272.db2.gz JCYFPWVBYISGDF-XLIONFOSSA-N 0 3 462.019 2.567 20 30 JFEDHN C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286387566 1060201972 /nfs/dbraw/zinc/20/19/72/1060201972.db2.gz SISHHYLJIHDESZ-YADHBBJMSA-N 0 3 470.643 2.621 20 30 JFEDHN C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286387565 1060202125 /nfs/dbraw/zinc/20/21/25/1060202125.db2.gz SISHHYLJIHDESZ-VXKWHMMOSA-N 0 3 470.643 2.621 20 30 JFEDHN C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387682 1060203397 /nfs/dbraw/zinc/20/33/97/1060203397.db2.gz UBVGNGAGAIQQHF-VQTJNVASSA-N 0 3 473.643 2.557 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286387973 1060205533 /nfs/dbraw/zinc/20/55/33/1060205533.db2.gz JHQWJGGQWRGHST-IRLDBZIGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388727 1060214719 /nfs/dbraw/zinc/21/47/19/1060214719.db2.gz BBQDPFZKXXULGQ-UNMCSNQZSA-N 0 3 472.659 2.642 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393906 1060246785 /nfs/dbraw/zinc/24/67/85/1060246785.db2.gz LQWAJJUYZMPIHR-PKTZIBPZSA-N 0 3 487.645 2.755 20 30 JFEDHN C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397195 1060268177 /nfs/dbraw/zinc/26/81/77/1060268177.db2.gz YCPYMHFLYUBAJH-NHCUHLMSSA-N 0 3 463.692 2.861 20 30 JFEDHN C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCCCN1CC ZINC001286397749 1060270188 /nfs/dbraw/zinc/27/01/88/1060270188.db2.gz PPVCGVHHPNVMIC-OAQYLSRUSA-N 0 3 452.990 2.809 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccs1)N(C)C ZINC001286410026 1060296185 /nfs/dbraw/zinc/29/61/85/1060296185.db2.gz VRDZKKWMZBIGAL-LJQANCHMSA-N 0 3 481.651 2.675 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001286424137 1060311995 /nfs/dbraw/zinc/31/19/95/1060311995.db2.gz ZPVVCBTXLAULHI-WIOPSUGQSA-N 0 3 453.562 2.835 20 30 JFEDHN C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)Cc1ccc(F)cc1 ZINC001286442760 1060332164 /nfs/dbraw/zinc/33/21/64/1060332164.db2.gz LRXDQIMIIRCJNB-UHFFFAOYSA-N 0 3 483.617 2.969 20 30 JFEDHN C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001286452255 1060336473 /nfs/dbraw/zinc/33/64/73/1060336473.db2.gz MEVUCGIVFNXJEI-OYRHEFFESA-N 0 3 473.666 2.536 20 30 JFEDHN C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001286459362 1060342209 /nfs/dbraw/zinc/34/22/09/1060342209.db2.gz NMXYKTMFCOZJFQ-JOCHJYFZSA-N 0 3 459.598 2.637 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC001286473765 1060377265 /nfs/dbraw/zinc/37/72/65/1060377265.db2.gz SVIGLQIETBEOKO-VWLOTQADSA-N 0 3 480.657 2.846 20 30 JFEDHN C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001286479928 1060397721 /nfs/dbraw/zinc/39/77/21/1060397721.db2.gz JCIHQXZEDYETRO-PKTZIBPZSA-N 0 3 452.603 2.586 20 30 JFEDHN C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001286479864 1060397852 /nfs/dbraw/zinc/39/78/52/1060397852.db2.gz JCIHQXZEDYETRO-DHIUTWEWSA-N 0 3 452.603 2.586 20 30 JFEDHN C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCc2nnc(C)[nH]2)CC1 ZINC001286485621 1060427360 /nfs/dbraw/zinc/42/73/60/1060427360.db2.gz RPCFEVUWFPAEJL-UHFFFAOYSA-N 0 3 457.007 2.648 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286493600 1060502951 /nfs/dbraw/zinc/50/29/51/1060502951.db2.gz OCMJMQGLIGKMAF-RPWUZVMVSA-N 0 3 478.641 2.613 20 30 JFEDHN C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286498788 1060519539 /nfs/dbraw/zinc/51/95/39/1060519539.db2.gz ANNHYLWXVVESGD-HYBUGGRVSA-N 0 3 496.681 2.699 20 30 JFEDHN C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286542624 1060587988 /nfs/dbraw/zinc/58/79/88/1060587988.db2.gz CUHKTIVEHGACBA-BEFAXECRSA-N 0 3 465.440 2.518 20 30 JFEDHN C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001286544179 1060590383 /nfs/dbraw/zinc/59/03/83/1060590383.db2.gz FNDUBZXIFLUSJG-UHFFFAOYSA-N 0 3 461.408 2.721 20 30 JFEDHN C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001286547251 1060596892 /nfs/dbraw/zinc/59/68/92/1060596892.db2.gz FXSPITLQLJIYDE-AOIWGVFYSA-N 0 3 484.439 2.600 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286547629 1060597984 /nfs/dbraw/zinc/59/79/84/1060597984.db2.gz PGXBGIAEBMTSFE-MALNDZBISA-N 0 3 458.651 2.762 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001286555748 1060623635 /nfs/dbraw/zinc/62/36/35/1060623635.db2.gz YTOIUPIFLHMWRI-JFYQVNSESA-N 0 3 477.650 2.673 20 30 JFEDHN C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001286566847 1060655766 /nfs/dbraw/zinc/65/57/66/1060655766.db2.gz JTQNETHHYKZDFT-RBUKOAKNSA-N 0 3 460.648 2.738 20 30 JFEDHN C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286592763 1060691945 /nfs/dbraw/zinc/69/19/45/1060691945.db2.gz UPLUNXLDVJJWTP-OAQYLSRUSA-N 0 3 490.649 2.711 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286604254 1060708393 /nfs/dbraw/zinc/70/83/93/1060708393.db2.gz HKFSJVQOGAWAOF-PXDATVDWSA-N 0 3 496.656 2.925 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001286606724 1060715257 /nfs/dbraw/zinc/71/52/57/1060715257.db2.gz YYVCMFVVDDHIJU-JOCHJYFZSA-N 0 3 453.635 2.846 20 30 JFEDHN C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286624099 1060742271 /nfs/dbraw/zinc/74/22/71/1060742271.db2.gz SAYFBLZXASIGLJ-LJQANCHMSA-N 0 3 461.010 2.931 20 30 JFEDHN C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286626440 1060744863 /nfs/dbraw/zinc/74/48/63/1060744863.db2.gz WNTHKUFWJIPCQM-GOSISDBHSA-N 0 3 461.010 2.931 20 30 JFEDHN C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001286626915 1060745886 /nfs/dbraw/zinc/74/58/86/1060745886.db2.gz NQSXYOORKPAKCB-UHFFFAOYSA-N 0 3 452.028 2.911 20 30 JFEDHN C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001286627106 1060746405 /nfs/dbraw/zinc/74/64/05/1060746405.db2.gz UHUASARTTNIZII-UHFFFAOYSA-N 0 3 452.028 2.769 20 30 JFEDHN C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001286671977 1060785064 /nfs/dbraw/zinc/78/50/64/1060785064.db2.gz DCBULKUPGVAEBD-OAQYLSRUSA-N 0 3 494.706 2.668 20 30 JFEDHN C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286674908 1060788917 /nfs/dbraw/zinc/78/89/17/1060788917.db2.gz KAZUTQFWJAIYCM-IBGZPJMESA-N 0 3 499.685 2.615 20 30 JFEDHN C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001286683412 1060796627 /nfs/dbraw/zinc/79/66/27/1060796627.db2.gz QJCUPFKILNNKLE-LJQANCHMSA-N 0 3 453.591 2.971 20 30 JFEDHN C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286708649 1060825015 /nfs/dbraw/zinc/82/50/15/1060825015.db2.gz RMRCFKVHOBQSSN-OFVILXPXSA-N 0 3 491.640 2.788 20 30 JFEDHN C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001286711282 1060831928 /nfs/dbraw/zinc/83/19/28/1060831928.db2.gz LUPXIYOVNPBUCR-UHFFFAOYSA-N 0 3 460.586 2.855 20 30 JFEDHN C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286771213 1060904104 /nfs/dbraw/zinc/90/41/04/1060904104.db2.gz BWXLQLYIPFLHJA-UHFFFAOYSA-N 0 3 489.418 2.647 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001286783838 1060935413 /nfs/dbraw/zinc/93/54/13/1060935413.db2.gz NGRGLGPVUZZECI-RBUKOAKNSA-N 0 3 470.618 2.962 20 30 JFEDHN C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286830838 1061078860 /nfs/dbraw/zinc/07/88/60/1061078860.db2.gz VKHJSZNOSXAMAO-UGKGYDQZSA-N 0 3 469.659 2.638 20 30 JFEDHN CC(=O)Nc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001286897553 1061383077 /nfs/dbraw/zinc/38/30/77/1061383077.db2.gz MJSKWJUSAFUZQT-UHFFFAOYSA-N 0 3 458.570 2.996 20 30 JFEDHN CC(C)(C)CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 ZINC001287041325 1062008780 /nfs/dbraw/zinc/00/87/80/1062008780.db2.gz INFXZHIIWUEJDV-UHFFFAOYSA-N 0 3 479.629 2.813 20 30 JFEDHN CCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O ZINC001294699648 1062264394 /nfs/dbraw/zinc/26/43/94/1062264394.db2.gz PEFNQNSBOKZSRW-OAQYLSRUSA-N 0 3 458.632 2.952 20 30 JFEDHN CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001287128448 1062399922 /nfs/dbraw/zinc/39/99/22/1062399922.db2.gz FUKPMRCWTDZJSM-UHFFFAOYSA-N 0 3 479.629 2.528 20 30 JFEDHN CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287158724 1062553098 /nfs/dbraw/zinc/55/30/98/1062553098.db2.gz UXMHTEZQOUKZSD-LEWJYISDSA-N 0 3 456.616 2.560 20 30 JFEDHN CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287158766 1062553451 /nfs/dbraw/zinc/55/34/51/1062553451.db2.gz VVETUNPOYUVAIZ-VXKWHMMOSA-N 0 3 470.643 2.951 20 30 JFEDHN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCCC1 ZINC001287161714 1062564102 /nfs/dbraw/zinc/56/41/02/1062564102.db2.gz YTQUENWIUDZSQI-FCHUYYIVSA-N 0 3 470.643 2.809 20 30 JFEDHN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCCC1 ZINC001287161715 1062564787 /nfs/dbraw/zinc/56/47/87/1062564787.db2.gz YTQUENWIUDZSQI-FGZHOGPDSA-N 0 3 470.643 2.809 20 30 JFEDHN Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001290698559 1062629550 /nfs/dbraw/zinc/62/95/50/1062629550.db2.gz GJZUPRCULHEVES-UHFFFAOYSA-N 0 3 452.588 2.858 20 30 JFEDHN CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001287208785 1062656092 /nfs/dbraw/zinc/65/60/92/1062656092.db2.gz ZGVSCZWGJAFVNG-DEOSSOPVSA-N 0 3 492.672 2.933 20 30 JFEDHN CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001287208786 1062656134 /nfs/dbraw/zinc/65/61/34/1062656134.db2.gz ZGVSCZWGJAFVNG-XMMPIXPASA-N 0 3 492.672 2.933 20 30 JFEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C ZINC001287456686 1062894460 /nfs/dbraw/zinc/89/44/60/1062894460.db2.gz IIKMPCFWRUMTGK-CPJSRVTESA-N 0 3 452.603 2.600 20 30 JFEDHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001291013280 1062920348 /nfs/dbraw/zinc/92/03/48/1062920348.db2.gz LBBRNUAZLSXRHY-SVFBPWRDSA-N 0 3 462.664 2.678 20 30 JFEDHN CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295250621 1063069632 /nfs/dbraw/zinc/06/96/32/1063069632.db2.gz RIPFLDZQBAFTRU-NRFANRHFSA-N 0 3 486.642 2.617 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001295481853 1063494894 /nfs/dbraw/zinc/49/48/94/1063494894.db2.gz BHMGCIHVBZPYOC-UNMCSNQZSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001295482307 1063499836 /nfs/dbraw/zinc/49/98/36/1063499836.db2.gz JJKIIQJHDXSQJB-DHIUTWEWSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001295693328 1063722031 /nfs/dbraw/zinc/72/20/31/1063722031.db2.gz SNFDKLBSDYZMML-UHFFFAOYSA-N 0 3 451.619 2.991 20 30 JFEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1)C(C)C ZINC001295833739 1063848873 /nfs/dbraw/zinc/84/88/73/1063848873.db2.gz DCMFRRVKLXWPDQ-UHFFFAOYSA-N 0 3 458.632 2.951 20 30 JFEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295834970 1063851370 /nfs/dbraw/zinc/85/13/70/1063851370.db2.gz YSWRIIFGMIKJKQ-NRFANRHFSA-N 0 3 463.508 2.793 20 30 JFEDHN CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291365425 1063886465 /nfs/dbraw/zinc/88/64/65/1063886465.db2.gz IHKCSSSBSJNYNL-DHLKQENFSA-N 0 3 451.619 2.582 20 30 JFEDHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC[C@H](C)C1 ZINC001295879189 1063922240 /nfs/dbraw/zinc/92/22/40/1063922240.db2.gz XGUNZUDSPVVSNH-OALUTQOASA-N 0 3 458.632 2.808 20 30 JFEDHN CC[C@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001291413788 1063989980 /nfs/dbraw/zinc/98/99/80/1063989980.db2.gz PQHOLKWFCUMFBC-REWPJTCUSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001295983265 1064038940 /nfs/dbraw/zinc/03/89/40/1064038940.db2.gz HHYWXTUVAWWTIK-QZTJIDSGSA-N 0 3 456.616 2.560 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296011962 1064071995 /nfs/dbraw/zinc/07/19/95/1064071995.db2.gz RCQAFMGUUSVYKR-FSSWDIPSSA-N 0 3 481.645 2.616 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296011970 1064072077 /nfs/dbraw/zinc/07/20/77/1064072077.db2.gz RCQAFMGUUSVYKR-VSKRKVRLSA-N 0 3 481.645 2.616 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296012104 1064072567 /nfs/dbraw/zinc/07/25/67/1064072567.db2.gz RKAGMDZJEWFZJU-FFLIXWBRSA-N 0 3 493.612 2.611 20 30 JFEDHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001296079185 1064146598 /nfs/dbraw/zinc/14/65/98/1064146598.db2.gz CTGHUHOBQIMERI-VXKWHMMOSA-N 0 3 465.602 2.740 20 30 JFEDHN CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291610885 1064148706 /nfs/dbraw/zinc/14/87/06/1064148706.db2.gz RHGBTWPHNOLMJS-XUZZJYLKSA-N 0 3 492.672 2.933 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001296123861 1064216118 /nfs/dbraw/zinc/21/61/18/1064216118.db2.gz CZEGNHVIMMBMOZ-YADHBBJMSA-N 0 3 492.672 2.536 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296125259 1064218668 /nfs/dbraw/zinc/21/86/68/1064218668.db2.gz LNRMPQCHGWIDCU-RBBKRZOGSA-N 0 3 451.619 2.706 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296127143 1064221190 /nfs/dbraw/zinc/22/11/90/1064221190.db2.gz UBBKOQIAUDBDRJ-IFMALSPDSA-N 0 3 451.619 2.706 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296133583 1064233949 /nfs/dbraw/zinc/23/39/49/1064233949.db2.gz JBSLSKCXCLEYCJ-IBGZPJMESA-N 0 3 455.582 2.762 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001296134868 1064237526 /nfs/dbraw/zinc/23/75/26/1064237526.db2.gz RSQKJMLBLXDIHM-NRFANRHFSA-N 0 3 451.619 2.991 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296135046 1064238487 /nfs/dbraw/zinc/23/84/87/1064238487.db2.gz VDXIAMNEEAQICQ-RTWAWAEBSA-N 0 3 469.659 2.634 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191760 1064342712 /nfs/dbraw/zinc/34/27/12/1064342712.db2.gz ANGHJIARBQQRDJ-NFBKMPQASA-N 0 3 451.619 2.911 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296196397 1064367324 /nfs/dbraw/zinc/36/73/24/1064367324.db2.gz SVCQEFYQZBREHP-YADHBBJMSA-N 0 3 483.686 2.881 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296196854 1064367555 /nfs/dbraw/zinc/36/75/55/1064367555.db2.gz VIXWEBKDTGYAHT-BHDDXSALSA-N 0 3 481.645 2.616 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296196869 1064370258 /nfs/dbraw/zinc/37/02/58/1064370258.db2.gz VNVIIKDRPDXYQN-QPPBQGQZSA-N 0 3 481.645 2.618 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296196870 1064370367 /nfs/dbraw/zinc/37/03/67/1064370367.db2.gz VNVIIKDRPDXYQN-URXFXBBRSA-N 0 3 481.645 2.618 20 30 JFEDHN CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001294067364 1066538115 /nfs/dbraw/zinc/53/81/15/1066538115.db2.gz MICUBXBLZADVDH-XMMPIXPASA-N 0 3 495.672 2.865 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828318 720306139 /nfs/dbraw/zinc/30/61/39/720306139.db2.gz ZXVMYFDGALKQTG-HZPDHXFCSA-N 0 3 453.012 2.572 20 30 JFEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1 ZINC001263375536 1059478259 /nfs/dbraw/zinc/47/82/59/1059478259.db2.gz RSJUCBUOCHGNFP-KRWDZBQOSA-N 0 3 481.310 2.693 20 30 JFEDHN CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001265828617 1059931161 /nfs/dbraw/zinc/93/11/61/1059931161.db2.gz QYDADOAWODZOKX-XZOQPEGZSA-N 0 3 459.550 2.886 20 30 JFEDHN C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCC1 ZINC001286271286 1060029795 /nfs/dbraw/zinc/02/97/95/1060029795.db2.gz RLRXXDTZRVUBCI-SFHVURJKSA-N 0 3 453.616 2.745 20 30 JFEDHN C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001286314887 1060075965 /nfs/dbraw/zinc/07/59/65/1060075965.db2.gz IEVPIMQKZPTNQV-UXHICEINSA-N 0 3 472.659 2.918 20 30 JFEDHN C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286338735 1060093780 /nfs/dbraw/zinc/09/37/80/1060093780.db2.gz DQACWYWRLPHICJ-FQEVSTJZSA-N 0 3 472.540 2.703 20 30 JFEDHN C#CCN(c1nnc(-c2cc3ccccc3o2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286380682 1060148369 /nfs/dbraw/zinc/14/83/69/1060148369.db2.gz COGNZYBURJEFNY-IBGZPJMESA-N 0 3 469.611 2.906 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286384199 1060168548 /nfs/dbraw/zinc/16/85/48/1060168548.db2.gz QCWRATAZRNSOFF-GOSISDBHSA-N 0 3 495.596 2.761 20 30 JFEDHN C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286384896 1060171435 /nfs/dbraw/zinc/17/14/35/1060171435.db2.gz KQCWNZQGXQNWPW-HSALFYBXSA-N 0 3 463.692 2.959 20 30 JFEDHN C#CCN(c1nnc(C)n1C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385335 1060175385 /nfs/dbraw/zinc/17/53/85/1060175385.db2.gz WOTOYBSATBIDCL-XZOQPEGZSA-N 0 3 455.628 2.516 20 30 JFEDHN 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JFEDHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286871458 1061273242 /nfs/dbraw/zinc/27/32/42/1061273242.db2.gz OOUAKIYPFSLHOL-OFVILXPXSA-N 0 3 493.656 2.748 20 30 JFEDHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCCC1 ZINC001286974824 1061770976 /nfs/dbraw/zinc/77/09/76/1061770976.db2.gz ATXLZHNECHGUSF-OALUTQOASA-N 0 3 488.658 2.861 20 30 JFEDHN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1)S(C)(=O)=O ZINC001286977212 1061789694 /nfs/dbraw/zinc/78/96/94/1061789694.db2.gz HDAPUAJGCURNDZ-ZWKOTPCHSA-N 0 3 458.632 2.949 20 30 JFEDHN Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001290158441 1061900337 /nfs/dbraw/zinc/90/03/37/1061900337.db2.gz KHHYYOSWGWZAMZ-QHCPKHFHSA-N 0 3 463.630 2.860 20 30 JFEDHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041598 1062009953 /nfs/dbraw/zinc/00/99/53/1062009953.db2.gz NMNOTKLLSBPFNM-SSRRSSPNSA-N 0 3 485.633 2.604 20 30 JFEDHN 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CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001291365428 1063886335 /nfs/dbraw/zinc/88/63/35/1063886335.db2.gz IHKCSSSBSJNYNL-WIOPSUGQSA-N 0 3 451.619 2.582 20 30 JFEDHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCC[C@@H](C)C1 ZINC001295879188 1063922276 /nfs/dbraw/zinc/92/22/76/1063922276.db2.gz XGUNZUDSPVVSNH-MOPGFXCFSA-N 0 3 458.632 2.808 20 30 JFEDHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCC[C@H](C)C1 ZINC001295879190 1063922313 /nfs/dbraw/zinc/92/23/13/1063922313.db2.gz XGUNZUDSPVVSNH-RBUKOAKNSA-N 0 3 458.632 2.808 20 30 JFEDHN COc1ccc(C2N=NC(=S)N2CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC001291641658 1064191374 /nfs/dbraw/zinc/19/13/74/1064191374.db2.gz SCNFAGNVEPPZPV-UHFFFAOYSA-N 0 3 450.568 2.704 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296135044 1064238378 /nfs/dbraw/zinc/23/83/78/1064238378.db2.gz VDXIAMNEEAQICQ-LEWJYISDSA-N 0 3 469.659 2.634 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296135486 1064240223 /nfs/dbraw/zinc/24/02/23/1064240223.db2.gz ZGLGXLOAMNCRBN-LEWJYISDSA-N 0 3 451.619 2.991 20 30 JFEDHN CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291785414 1064281077 /nfs/dbraw/zinc/28/10/77/1064281077.db2.gz VNXZRXIIVSXHAI-KNQAVFIVSA-N 0 3 488.658 2.863 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296196855 1064369676 /nfs/dbraw/zinc/36/96/76/1064369676.db2.gz VIXWEBKDTGYAHT-FDFHNCONSA-N 0 3 481.645 2.616 20 30 JFEDHN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292252144 1065034102 /nfs/dbraw/zinc/03/41/02/1065034102.db2.gz NIFRTHYUYCNUIL-GOTSBHOMSA-N 0 3 481.645 2.758 20 30 JFEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001293068111 1065720202 /nfs/dbraw/zinc/72/02/02/1065720202.db2.gz CZYSPOUBVGTEIX-UHFFFAOYSA-N 0 3 453.591 2.949 20 30 JFEDHN CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293640915 1066157567 /nfs/dbraw/zinc/15/75/67/1066157567.db2.gz WHLOOKJEUADDRQ-GGAORHGYSA-N 0 3 481.645 2.760 20 30 JFEDHN COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867207 721112527 /nfs/dbraw/zinc/11/25/27/721112527.db2.gz WVEYTJKMYFBECH-YADHBBJMSA-N 0 3 464.642 2.972 20 30 JFEDHN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C(=O)NCCN4CCCC4)cc3)CC2)o1 ZINC001265132051 1059775583 /nfs/dbraw/zinc/77/55/83/1059775583.db2.gz SPKGNPWXWJRULF-UHFFFAOYSA-N 0 3 450.543 2.535 20 30 JFEDHN C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCC1 ZINC001286271285 1060029839 /nfs/dbraw/zinc/02/98/39/1060029839.db2.gz RLRXXDTZRVUBCI-GOSISDBHSA-N 0 3 453.616 2.745 20 30 JFEDHN C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCN1CCN(CC)CC1 ZINC001286288505 1060045377 /nfs/dbraw/zinc/04/53/77/1060045377.db2.gz HHHKPXMDDKEAIO-OAQYLSRUSA-N 0 3 490.656 2.721 20 30 JFEDHN C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286302192 1060054380 /nfs/dbraw/zinc/05/43/80/1060054380.db2.gz RMZXGQVLYJMMLN-GHTZIAJQSA-N 0 3 473.021 2.911 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286380752 1060149284 /nfs/dbraw/zinc/14/92/84/1060149284.db2.gz DCIXGFUVVVIIEP-GMAHTHKFSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286384897 1060171371 /nfs/dbraw/zinc/17/13/71/1060171371.db2.gz KQCWNZQGXQNWPW-VAMGGRTRSA-N 0 3 463.692 2.959 20 30 JFEDHN C#CCN(c1nnc(C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385332 1060175305 /nfs/dbraw/zinc/17/53/05/1060175305.db2.gz WOTOYBSATBIDCL-DHIUTWEWSA-N 0 3 455.628 2.516 20 30 JFEDHN C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387681 1060203235 /nfs/dbraw/zinc/20/32/35/1060203235.db2.gz UBVGNGAGAIQQHF-UXHICEINSA-N 0 3 473.643 2.557 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(CC)cc2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387988 1060205567 /nfs/dbraw/zinc/20/55/67/1060205567.db2.gz JPFJBSAJEXENCN-JOCHJYFZSA-N 0 3 455.628 2.620 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388601 1060213294 /nfs/dbraw/zinc/21/32/94/1060213294.db2.gz SGXJOAXLVBSZCX-OALUTQOASA-N 0 3 479.050 2.597 20 30 JFEDHN C#CCN(c1nnc(C2CC2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389278 1060220059 /nfs/dbraw/zinc/22/00/59/1060220059.db2.gz HEBIKZRXVJEILG-SIKLNZKXSA-N 0 3 455.628 2.693 20 30 JFEDHN C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397999 1060271393 /nfs/dbraw/zinc/27/13/93/1060271393.db2.gz VTUUCPXQFFOYHG-YADHBBJMSA-N 0 3 485.654 2.524 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001286401289 1060282532 /nfs/dbraw/zinc/28/25/32/1060282532.db2.gz KETKJTRQHMUGAE-HXUWFJFHSA-N 0 3 467.639 2.932 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001286425396 1060313996 /nfs/dbraw/zinc/31/39/96/1060313996.db2.gz YQMYKGOUDGRFDR-JOCHJYFZSA-N 0 3 471.594 2.748 20 30 JFEDHN C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286428325 1060318085 /nfs/dbraw/zinc/31/80/85/1060318085.db2.gz RSZMHJRFAAJHOG-HSZRJFAPSA-N 0 3 482.579 2.553 20 30 JFEDHN C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001286428407 1060318777 /nfs/dbraw/zinc/31/87/77/1060318777.db2.gz MRISTXPWEFNEIY-QFIPXVFZSA-N 0 3 450.606 2.745 20 30 JFEDHN C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCSC1 ZINC001286435848 1060327084 /nfs/dbraw/zinc/32/70/84/1060327084.db2.gz LADIXOHGTPKCLA-JOCHJYFZSA-N 0 3 461.035 2.758 20 30 JFEDHN C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001286458192 1060340001 /nfs/dbraw/zinc/34/00/01/1060340001.db2.gz MJUWRVUWXRNLPM-JOCHJYFZSA-N 0 3 468.621 2.977 20 30 JFEDHN C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001286484102 1060414100 /nfs/dbraw/zinc/41/41/00/1060414100.db2.gz DXPSUMFXMLFKSJ-JOCHJYFZSA-N 0 3 475.622 2.848 20 30 JFEDHN C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286484202 1060415443 /nfs/dbraw/zinc/41/54/43/1060415443.db2.gz GEXORELCLCWGPP-RUZDIDTESA-N 0 3 474.657 2.760 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286491385 1060484819 /nfs/dbraw/zinc/48/48/19/1060484819.db2.gz PPUSZJZOMMZFGT-XMMPIXPASA-N 0 3 489.599 2.672 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286493596 1060502993 /nfs/dbraw/zinc/50/29/93/1060502993.db2.gz OCMJMQGLIGKMAF-DNQXCXABSA-N 0 3 478.641 2.613 20 30 JFEDHN C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001286504614 1060529815 /nfs/dbraw/zinc/52/98/15/1060529815.db2.gz OOCIVPKTQWHJEZ-OALUTQOASA-N 0 3 479.654 2.960 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001286519053 1060554821 /nfs/dbraw/zinc/55/48/21/1060554821.db2.gz PUFCEIPZPCNHKG-KDYSTLNUSA-N 0 3 481.641 2.999 20 30 JFEDHN C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC001286535715 1060573504 /nfs/dbraw/zinc/57/35/04/1060573504.db2.gz FKHGRBISYJWTRK-KRWDZBQOSA-N 0 3 452.401 2.524 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001286555741 1060623498 /nfs/dbraw/zinc/62/34/98/1060623498.db2.gz YTOIUPIFLHMWRI-FBPBVXOASA-N 0 3 477.650 2.673 20 30 JFEDHN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286601663 1060703386 /nfs/dbraw/zinc/70/33/86/1060703386.db2.gz SBRNSBKKFFXDJS-RDPSFJRHSA-N 0 3 477.613 2.684 20 30 JFEDHN C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286605138 1060711609 /nfs/dbraw/zinc/71/16/09/1060711609.db2.gz HLBJSBCTEDGXEC-NRFANRHFSA-N 0 3 454.619 2.763 20 30 JFEDHN C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286624019 1060741742 /nfs/dbraw/zinc/74/17/42/1060741742.db2.gz QAQIYDAOHDUFPS-IBGZPJMESA-N 0 3 491.036 2.940 20 30 JFEDHN C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001286648760 1060764559 /nfs/dbraw/zinc/76/45/59/1060764559.db2.gz MFXFEXSGZXOQBN-HXUWFJFHSA-N 0 3 457.648 2.733 20 30 JFEDHN C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286703534 1060816216 /nfs/dbraw/zinc/81/62/16/1060816216.db2.gz CMIFNPMUAZLPFB-OAQYLSRUSA-N 0 3 456.566 2.705 20 30 JFEDHN C=CCCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001286710198 1060828982 /nfs/dbraw/zinc/82/89/82/1060828982.db2.gz PPXOWMPLPRHCKJ-UHFFFAOYSA-N 0 3 451.575 2.965 20 30 JFEDHN C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286710778 1060829473 /nfs/dbraw/zinc/82/94/73/1060829473.db2.gz CWOBSBPKHNFKJV-YKSBVNFPSA-N 0 3 481.645 2.620 20 30 JFEDHN C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1)C1CC1 ZINC001286731582 1060850275 /nfs/dbraw/zinc/85/02/75/1060850275.db2.gz QJAQHFMFYFUICN-UHFFFAOYSA-N 0 3 453.591 2.970 20 30 JFEDHN C=CCN(CC=C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C ZINC001286751881 1060879968 /nfs/dbraw/zinc/87/99/68/1060879968.db2.gz VBPUWMKPRSSJRJ-JOCHJYFZSA-N 0 3 497.688 2.661 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001286782088 1060927759 /nfs/dbraw/zinc/92/77/59/1060927759.db2.gz JZTNTNPDZKTPJE-ZIAGYGMSSA-N 0 3 467.437 2.990 20 30 JFEDHN C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001286797293 1060975970 /nfs/dbraw/zinc/97/59/70/1060975970.db2.gz VAXIGESRLWSSET-VQTJNVASSA-N 0 3 452.603 2.933 20 30 JFEDHN C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286827240 1061075067 /nfs/dbraw/zinc/07/50/67/1061075067.db2.gz HVGQRCMCKBRBQO-QFIPXVFZSA-N 0 3 451.644 2.952 20 30 JFEDHN C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286828427 1061076064 /nfs/dbraw/zinc/07/60/64/1061076064.db2.gz MSGBKFFREZVCEI-UGKGYDQZSA-N 0 3 469.659 2.638 20 30 JFEDHN C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286830826 1061078913 /nfs/dbraw/zinc/07/89/13/1061078913.db2.gz VKHJSZNOSXAMAO-SIKLNZKXSA-N 0 3 469.659 2.638 20 30 JFEDHN C=CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286832156 1061081127 /nfs/dbraw/zinc/08/11/27/1061081127.db2.gz PLXRUWCYNSONLU-UHFFFAOYSA-N 0 3 490.624 2.811 20 30 JFEDHN C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286833366 1061083861 /nfs/dbraw/zinc/08/38/61/1061083861.db2.gz AFJQDKGVOCQOBZ-FQEVSTJZSA-N 0 3 461.705 2.769 20 30 JFEDHN CC(C)(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001286986953 1061866242 /nfs/dbraw/zinc/86/62/42/1061866242.db2.gz YOQCUCQJTBMQSP-JOCHJYFZSA-N 0 3 479.629 2.528 20 30 JFEDHN CCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294700427 1062265930 /nfs/dbraw/zinc/26/59/30/1062265930.db2.gz SOVRLLWHJWEEJK-LEWJYISDSA-N 0 3 456.616 2.705 20 30 JFEDHN CC(C)(CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001287092707 1062289551 /nfs/dbraw/zinc/28/95/51/1062289551.db2.gz AEBDYFVJLSXTOQ-QHCPKHFHSA-N 0 3 474.606 2.913 20 30 JFEDHN CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)N1CCOCC1 ZINC001287159382 1062555465 /nfs/dbraw/zinc/55/54/65/1062555465.db2.gz ZQCJOBOAOLUBQG-DEOSSOPVSA-N 0 3 495.672 2.721 20 30 JFEDHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N1CCCC1 ZINC001287161717 1062564685 /nfs/dbraw/zinc/56/46/85/1062564685.db2.gz YTQUENWIUDZSQI-YADHBBJMSA-N 0 3 470.643 2.809 20 30 JFEDHN CCCNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001294861121 1062567528 /nfs/dbraw/zinc/56/75/28/1062567528.db2.gz XXRCWONSQZCKKU-UHFFFAOYSA-N 0 3 486.624 2.764 20 30 JFEDHN CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295162034 1062986236 /nfs/dbraw/zinc/98/62/36/1062986236.db2.gz MWXKYNXNHIBDGP-XQBPLPMBSA-N 0 3 470.643 2.951 20 30 JFEDHN C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001291104923 1063085571 /nfs/dbraw/zinc/08/55/71/1063085571.db2.gz BURVAUZNZMLLHU-XQBPLPMBSA-N 0 3 470.643 2.951 20 30 JFEDHN CCN(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295397632 1063384157 /nfs/dbraw/zinc/38/41/57/1063384157.db2.gz PMLMJSKSAYKLFV-NRFANRHFSA-N 0 3 476.585 2.954 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001295482310 1063499878 /nfs/dbraw/zinc/49/98/78/1063499878.db2.gz JJKIIQJHDXSQJB-XZOQPEGZSA-N 0 3 479.629 2.622 20 30 JFEDHN CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001291413785 1063989919 /nfs/dbraw/zinc/98/99/19/1063989919.db2.gz PQHOLKWFCUMFBC-NFBKMPQASA-N 0 3 479.629 2.622 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296011933 1064072159 /nfs/dbraw/zinc/07/21/59/1064072159.db2.gz RCQAFMGUUSVYKR-BDTNDASRSA-N 0 3 481.645 2.616 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296011952 1064072282 /nfs/dbraw/zinc/07/22/82/1064072282.db2.gz RCQAFMGUUSVYKR-FKBYEOEOSA-N 0 3 481.645 2.616 20 30 JFEDHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001296073763 1064139527 /nfs/dbraw/zinc/13/95/27/1064139527.db2.gz HLIYHJFNUSGKDH-LJQANCHMSA-N 0 3 482.608 2.628 20 30 JFEDHN CC[C@H](C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644464 1064198290 /nfs/dbraw/zinc/19/82/90/1064198290.db2.gz XUFLNSQWGLULNC-BKBKCADHSA-N 0 3 457.623 2.876 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001296123858 1064216218 /nfs/dbraw/zinc/21/62/18/1064216218.db2.gz CZEGNHVIMMBMOZ-FCHUYYIVSA-N 0 3 492.672 2.536 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001296123860 1064216275 /nfs/dbraw/zinc/21/62/75/1064216275.db2.gz CZEGNHVIMMBMOZ-VXKWHMMOSA-N 0 3 492.672 2.536 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296127644 1064222006 /nfs/dbraw/zinc/22/20/06/1064222006.db2.gz WICJTGYHJCIBGG-PMACEKPBSA-N 0 3 451.619 2.846 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296130316 1064223719 /nfs/dbraw/zinc/22/37/19/1064223719.db2.gz CQUBBZQFSGVPSA-NRFANRHFSA-N 0 3 458.614 2.798 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001296132393 1064229704 /nfs/dbraw/zinc/22/97/04/1064229704.db2.gz BHYJTQMOJSUNFV-FQEVSTJZSA-N 0 3 463.586 2.984 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296133905 1064234933 /nfs/dbraw/zinc/23/49/33/1064234933.db2.gz LGIQPNRSAOVAHO-NRFANRHFSA-N 0 3 476.629 2.885 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190399 1064338577 /nfs/dbraw/zinc/33/85/77/1064338577.db2.gz DAJLLZBBTRUDTP-CJFMBICVSA-N 0 3 453.610 2.893 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296194986 1064358848 /nfs/dbraw/zinc/35/88/48/1064358848.db2.gz UIQFEINEJLHAAK-OAQYLSRUSA-N 0 3 450.635 2.668 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296196857 1064369516 /nfs/dbraw/zinc/36/95/16/1064369516.db2.gz VIXWEBKDTGYAHT-VSKRKVRLSA-N 0 3 481.645 2.616 20 30 JFEDHN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001296330029 1064629232 /nfs/dbraw/zinc/62/92/32/1064629232.db2.gz OROYPIYMXCVLCL-WOJBJXKFSA-N 0 3 499.666 2.699 20 30 JFEDHN CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292252145 1065034190 /nfs/dbraw/zinc/03/41/90/1065034190.db2.gz NIFRTHYUYCNUIL-PKTZIBPZSA-N 0 3 481.645 2.758 20 30 JFEDHN CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001292276789 1065053460 /nfs/dbraw/zinc/05/34/60/1065053460.db2.gz UPEOMFASFWMBQB-YKSBVNFPSA-N 0 3 493.656 2.747 20 30 JFEDHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483198 1065205140 /nfs/dbraw/zinc/20/51/40/1065205140.db2.gz BYBJKJUGUJZZEW-YGCGMURISA-N 0 3 477.613 2.953 20 30 JFEDHN CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CCN1CCOC ZINC001294067361 1066538250 /nfs/dbraw/zinc/53/82/50/1066538250.db2.gz MICUBXBLZADVDH-DEOSSOPVSA-N 0 3 495.672 2.865 20 30 JFEDHN C=C(C)CNC(=S)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000048524558 569846190 /nfs/dbraw/zinc/84/61/90/569846190.db2.gz YKMHTZWTOAQKSU-UHFFFAOYSA-N 0 3 451.640 2.855 20 30 JFEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903492 721554361 /nfs/dbraw/zinc/55/43/61/721554361.db2.gz BNNLVEGJINETCE-MISYRCLQSA-N 0 3 461.497 2.891 20 30 JFEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979659 722142662 /nfs/dbraw/zinc/14/26/62/722142662.db2.gz LROTUGYIDKFYOR-MIZPHKNDSA-N 0 3 472.549 2.532 20 30 JFEDHN C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001286304449 1060056717 /nfs/dbraw/zinc/05/67/17/1060056717.db2.gz WOKCNTLPDPIYDA-QFIPXVFZSA-N 0 3 460.630 2.810 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382384 1060154003 /nfs/dbraw/zinc/15/40/03/1060154003.db2.gz IZDDZPHMLICOLB-RBBKRZOGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382412 1060155131 /nfs/dbraw/zinc/15/51/31/1060155131.db2.gz JCYFPWVBYISGDF-YLJYHZDGSA-N 0 3 462.019 2.567 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286383261 1060160977 /nfs/dbraw/zinc/16/09/77/1060160977.db2.gz LXQMEEJZOFOGEL-IRLDBZIGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387548 1060201487 /nfs/dbraw/zinc/20/14/87/1060201487.db2.gz GIGGOISUVDZRFS-IBGZPJMESA-N 0 3 450.008 2.565 20 30 JFEDHN C#CCN(c1nnc(-c2cccc3cccnc32)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387789 1060203931 /nfs/dbraw/zinc/20/39/31/1060203931.db2.gz ICGQXPHNRJZKBP-TZIWHRDSSA-N 0 3 480.638 2.850 20 30 JFEDHN C#CCN(c1nnc(C2CC2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286389279 1060219865 /nfs/dbraw/zinc/21/98/65/1060219865.db2.gz HEBIKZRXVJEILG-UGKGYDQZSA-N 0 3 455.628 2.693 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286390706 1060227123 /nfs/dbraw/zinc/22/71/23/1060227123.db2.gz BDWBDCUGGQNFTI-FKBYEOEOSA-N 0 3 477.675 2.657 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286393890 1060244668 /nfs/dbraw/zinc/24/46/68/1060244668.db2.gz LIYQWUDWOUYBGV-GHTZIAJQSA-N 0 3 478.062 2.879 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286393893 1060246170 /nfs/dbraw/zinc/24/61/70/1060246170.db2.gz LIYQWUDWOUYBGV-WIYYLYMNSA-N 0 3 478.062 2.879 20 30 JFEDHN C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(CC)cc1)N(C)C ZINC001286397055 1060266214 /nfs/dbraw/zinc/26/62/14/1060266214.db2.gz KEHPAMBIWQHZDA-JOCHJYFZSA-N 0 3 455.566 2.864 20 30 JFEDHN C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286397995 1060271268 /nfs/dbraw/zinc/27/12/68/1060271268.db2.gz VTUUCPXQFFOYHG-FGZHOGPDSA-N 0 3 485.654 2.524 20 30 JFEDHN C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286399017 1060278439 /nfs/dbraw/zinc/27/84/39/1060278439.db2.gz WNHJADVKPONWSK-YMPZKCBVSA-N 0 3 485.654 2.667 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286400819 1060281654 /nfs/dbraw/zinc/28/16/54/1060281654.db2.gz LEPNVNFYNZRZAM-QFIPXVFZSA-N 0 3 455.610 2.901 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286400817 1060281724 /nfs/dbraw/zinc/28/17/24/1060281724.db2.gz LEPNVNFYNZRZAM-JOCHJYFZSA-N 0 3 455.610 2.901 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001286424134 1060312142 /nfs/dbraw/zinc/31/21/42/1060312142.db2.gz ZPVVCBTXLAULHI-DHLKQENFSA-N 0 3 453.562 2.835 20 30 JFEDHN C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286451783 1060336069 /nfs/dbraw/zinc/33/60/69/1060336069.db2.gz AUFRHSYVRBTHKL-NJDAHSKKSA-N 0 3 458.651 2.599 20 30 JFEDHN C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001286466187 1060353565 /nfs/dbraw/zinc/35/35/65/1060353565.db2.gz XGEQOFIQCKHDJM-ZEQRLZLVSA-N 0 3 467.614 2.897 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001286489935 1060469120 /nfs/dbraw/zinc/46/91/20/1060469120.db2.gz DJZCYKJEEWXQJC-QFIPXVFZSA-N 0 3 452.578 2.953 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCC2)CC1 ZINC001286494509 1060507517 /nfs/dbraw/zinc/50/75/17/1060507517.db2.gz MWJNEWRMGPCLDD-UHFFFAOYSA-N 0 3 482.654 2.641 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286495359 1060512242 /nfs/dbraw/zinc/51/22/42/1060512242.db2.gz ZIYWCMBPGXSYBK-GMAHTHKFSA-N 0 3 482.604 2.580 20 30 JFEDHN C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286498746 1060519486 /nfs/dbraw/zinc/51/94/86/1060519486.db2.gz LNPYDDWZZXPXNJ-JOCHJYFZSA-N 0 3 466.655 2.617 20 30 JFEDHN C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286501367 1060526696 /nfs/dbraw/zinc/52/66/96/1060526696.db2.gz VTOIXVLOEQAOHC-UHFFFAOYSA-N 0 3 461.035 2.909 20 30 JFEDHN C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286504791 1060530488 /nfs/dbraw/zinc/53/04/88/1060530488.db2.gz UGHCDMBXWNAEOI-NZQKXSOJSA-N 0 3 496.681 2.699 20 30 JFEDHN C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](CCC)C1 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C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCC[C@@H]1C ZINC001286418497 1060306063 /nfs/dbraw/zinc/30/60/63/1060306063.db2.gz CIWCBDOTPLGUPM-IBGZPJMESA-N 0 3 452.990 2.809 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)CN1CCCCC1 ZINC001286420348 1060308234 /nfs/dbraw/zinc/30/82/34/1060308234.db2.gz DFIRZXSRPDYIOH-NRFANRHFSA-N 0 3 467.639 2.934 20 30 JFEDHN C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286432557 1060323859 /nfs/dbraw/zinc/32/38/59/1060323859.db2.gz ONBGVWJBAXHRNS-HSZRJFAPSA-N 0 3 457.626 2.770 20 30 JFEDHN C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286449066 1060334444 /nfs/dbraw/zinc/33/44/44/1060334444.db2.gz JGQIQQNYPZKGSX-HSZRJFAPSA-N 0 3 461.614 2.752 20 30 JFEDHN C#CCN(Cc1ccc(F)cc1)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001286460289 1060344417 /nfs/dbraw/zinc/34/44/17/1060344417.db2.gz DCPAREPAKNPDHJ-UHFFFAOYSA-N 0 3 492.647 2.945 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC001286473763 1060377465 /nfs/dbraw/zinc/37/74/65/1060377465.db2.gz SVIGLQIETBEOKO-RUZDIDTESA-N 0 3 480.657 2.846 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC001286475098 1060388802 /nfs/dbraw/zinc/38/88/02/1060388802.db2.gz QMPRGMTVAXFHPH-VWLOTQADSA-N 0 3 475.641 2.709 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CCN2CCSCC2)CC1 ZINC001286476482 1060392286 /nfs/dbraw/zinc/39/22/86/1060392286.db2.gz XZHBFKILWWSZQM-UHFFFAOYSA-N 0 3 475.460 2.512 20 30 JFEDHN C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286499193 1060521033 /nfs/dbraw/zinc/52/10/33/1060521033.db2.gz FTCZPPYYVVAZSE-UHFFFAOYSA-N 0 3 455.628 2.869 20 30 JFEDHN C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286503338 1060527484 /nfs/dbraw/zinc/52/74/84/1060527484.db2.gz DKSJGSFBOCDJDG-FQEVSTJZSA-N 0 3 473.046 2.708 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286524019 1060558670 /nfs/dbraw/zinc/55/86/70/1060558670.db2.gz GMFAGKHMSYEFSW-HFZDXXHNSA-N 0 3 450.631 2.896 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001286527181 1060559638 /nfs/dbraw/zinc/55/96/38/1060559638.db2.gz DDPHHYSMVHZLSU-WXVAWEFUSA-N 0 3 475.641 2.994 20 30 JFEDHN C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286542626 1060588037 /nfs/dbraw/zinc/58/80/37/1060588037.db2.gz CUHKTIVEHGACBA-DNVCBOLYSA-N 0 3 465.440 2.518 20 30 JFEDHN C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286542630 1060588512 /nfs/dbraw/zinc/58/85/12/1060588512.db2.gz CUHKTIVEHGACBA-KXBFYZLASA-N 0 3 465.440 2.518 20 30 JFEDHN C=C(Br)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 ZINC001286548741 1060603965 /nfs/dbraw/zinc/60/39/65/1060603965.db2.gz QCJIXNIYRJJYKY-UWJYYQICSA-N 0 3 484.439 2.528 20 30 JFEDHN C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001286565907 1060652674 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FDBBKMPZYVPZSL-QFIPXVFZSA-N 0 3 466.630 2.982 20 30 JFEDHN C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286343679 1060098988 /nfs/dbraw/zinc/09/89/88/1060098988.db2.gz BKNOPDHBXGOKFW-NRFANRHFSA-N 0 3 480.613 2.509 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286380745 1060149266 /nfs/dbraw/zinc/14/92/66/1060149266.db2.gz DCIXGFUVVVIIEP-FYYLOGMGSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387972 1060205768 /nfs/dbraw/zinc/20/57/68/1060205768.db2.gz JHQWJGGQWRGHST-IFMALSPDSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388602 1060213042 /nfs/dbraw/zinc/21/30/42/1060213042.db2.gz SGXJOAXLVBSZCX-RBUKOAKNSA-N 0 3 479.050 2.597 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286388725 1060214058 /nfs/dbraw/zinc/21/40/58/1060214058.db2.gz BBQDPFZKXXULGQ-RBBKRZOGSA-N 0 3 472.659 2.642 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286389255 1060220002 /nfs/dbraw/zinc/22/00/02/1060220002.db2.gz ZXZCLDYQZHRONE-URVUXULASA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389252 1060220125 /nfs/dbraw/zinc/22/01/25/1060220125.db2.gz ZXZCLDYQZHRONE-JAXLGGSGSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286389253 1060220226 /nfs/dbraw/zinc/22/02/26/1060220226.db2.gz ZXZCLDYQZHRONE-ONTIZHBOSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286394257 1060249739 /nfs/dbraw/zinc/24/97/39/1060249739.db2.gz HYCULINDOBEWTG-XZOQPEGZSA-N 0 3 499.681 2.913 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286398748 1060276661 /nfs/dbraw/zinc/27/66/61/1060276661.db2.gz OIMMUKNOJBSNSG-PLACYPQZSA-N 0 3 479.691 2.554 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286404986 1060287729 /nfs/dbraw/zinc/28/77/29/1060287729.db2.gz WXFLITFDCAOZDJ-IBGZPJMESA-N 0 3 456.541 2.645 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286404987 1060287804 /nfs/dbraw/zinc/28/78/04/1060287804.db2.gz WXFLITFDCAOZDJ-LJQANCHMSA-N 0 3 456.541 2.645 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001286425945 1060314922 /nfs/dbraw/zinc/31/49/22/1060314922.db2.gz DKNNRKDQUBASSV-PKTZIBPZSA-N 0 3 460.582 2.538 20 30 JFEDHN C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286450032 1060335399 /nfs/dbraw/zinc/33/53/99/1060335399.db2.gz LWRDIXYFDOTHDN-HSZRJFAPSA-N 0 3 461.614 2.683 20 30 JFEDHN C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286457699 1060339139 /nfs/dbraw/zinc/33/91/39/1060339139.db2.gz CMOWHJSOMVOILC-GMAHTHKFSA-N 0 3 482.604 2.504 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286473672 1060376667 /nfs/dbraw/zinc/37/66/67/1060376667.db2.gz QKNLFRDJZVGJLI-BGYRXZFFSA-N 0 3 488.583 2.801 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001286491551 1060487454 /nfs/dbraw/zinc/48/74/54/1060487454.db2.gz XBYLWUBBUUVYBK-VWLOTQADSA-N 0 3 485.636 2.841 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286493603 1060503142 /nfs/dbraw/zinc/50/31/42/1060503142.db2.gz OCMJMQGLIGKMAF-ZEQRLZLVSA-N 0 3 478.641 2.613 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccccc2)CC1 ZINC001286493708 1060503728 /nfs/dbraw/zinc/50/37/28/1060503728.db2.gz PGASRDOGQKSIOH-HSZRJFAPSA-N 0 3 464.614 2.618 20 30 JFEDHN C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286498789 1060519745 /nfs/dbraw/zinc/51/97/45/1060519745.db2.gz ANNHYLWXVVESGD-RDPSFJRHSA-N 0 3 496.681 2.699 20 30 JFEDHN C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001286504616 1060530428 /nfs/dbraw/zinc/53/04/28/1060530428.db2.gz OOCIVPKTQWHJEZ-RBUKOAKNSA-N 0 3 479.654 2.960 20 30 JFEDHN C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286506130 1060534264 /nfs/dbraw/zinc/53/42/64/1060534264.db2.gz QIWSQGCBMVZEKR-GBXCKJPGSA-N 0 3 498.672 2.753 20 30 JFEDHN C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286507664 1060536558 /nfs/dbraw/zinc/53/65/58/1060536558.db2.gz CLHSCXNFORVETN-NFBKMPQASA-N 0 3 472.703 2.756 20 30 JFEDHN C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286529951 1060561002 /nfs/dbraw/zinc/56/10/02/1060561002.db2.gz BCTOOAXMTMYWEJ-QAPCUYQASA-N 0 3 453.429 2.689 20 30 JFEDHN C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286529949 1060561072 /nfs/dbraw/zinc/56/10/72/1060561072.db2.gz BCTOOAXMTMYWEJ-CRAIPNDOSA-N 0 3 453.429 2.689 20 30 JFEDHN C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286532429 1060568479 /nfs/dbraw/zinc/56/84/79/1060568479.db2.gz DTFLHEKCEBENBW-SFHVURJKSA-N 0 3 457.376 2.884 20 30 JFEDHN C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286533592 1060570410 /nfs/dbraw/zinc/57/04/10/1060570410.db2.gz YFBWQOIRJUOQLZ-SFHVURJKSA-N 0 3 477.382 2.736 20 30 JFEDHN C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286542628 1060588138 /nfs/dbraw/zinc/58/81/38/1060588138.db2.gz CUHKTIVEHGACBA-HNAYVOBHSA-N 0 3 465.440 2.518 20 30 JFEDHN C=C(Br)Cn1c(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548245 1060600779 /nfs/dbraw/zinc/60/07/79/1060600779.db2.gz VEXUVVYEQILKJP-MAUKXSAKSA-N 0 3 467.456 2.863 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001286555751 1060623709 /nfs/dbraw/zinc/62/37/09/1060623709.db2.gz YTOIUPIFLHMWRI-SRUXOGRHSA-N 0 3 477.650 2.673 20 30 JFEDHN C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001286566845 1060655668 /nfs/dbraw/zinc/65/56/68/1060655668.db2.gz JTQNETHHYKZDFT-OALUTQOASA-N 0 3 460.648 2.738 20 30 JFEDHN C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001286566849 1060655710 /nfs/dbraw/zinc/65/57/10/1060655710.db2.gz JTQNETHHYKZDFT-RTBURBONSA-N 0 3 460.648 2.738 20 30 JFEDHN C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286601667 1060703501 /nfs/dbraw/zinc/70/35/01/1060703501.db2.gz SBRNSBKKFFXDJS-YKSBVNFPSA-N 0 3 477.613 2.684 20 30 JFEDHN C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286627380 1060747014 /nfs/dbraw/zinc/74/70/14/1060747014.db2.gz ZYADXQLWHUYEQO-HRAATJIYSA-N 0 3 458.010 2.780 20 30 JFEDHN C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001286632020 1060752778 /nfs/dbraw/zinc/75/27/78/1060752778.db2.gz CJJIRBVTJVYPST-UHFFFAOYSA-N 0 3 489.049 2.819 20 30 JFEDHN C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001286650126 1060765689 /nfs/dbraw/zinc/76/56/89/1060765689.db2.gz XSUGUHFJUJLWAK-HSZRJFAPSA-N 0 3 477.613 2.828 20 30 JFEDHN C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286670323 1060782176 /nfs/dbraw/zinc/78/21/76/1060782176.db2.gz GPDZSNQZDMEFSS-DENIHFKCSA-N 0 3 468.650 2.660 20 30 JFEDHN C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286702422 1060815049 /nfs/dbraw/zinc/81/50/49/1060815049.db2.gz MQGHVHMRVXVTJG-UHFFFAOYSA-N 0 3 452.603 2.588 20 30 JFEDHN C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001286711720 1060832779 /nfs/dbraw/zinc/83/27/79/1060832779.db2.gz RWBTVEFAQHRHON-JOCHJYFZSA-N 0 3 453.635 2.846 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001286782086 1060927856 /nfs/dbraw/zinc/92/78/56/1060927856.db2.gz JZTNTNPDZKTPJE-KGLIPLIRSA-N 0 3 467.437 2.990 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286782646 1060929883 /nfs/dbraw/zinc/92/98/83/1060929883.db2.gz AXCJKCAHGLFNBZ-INIZCTEOSA-N 0 3 479.412 2.713 20 30 JFEDHN C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794639 1060969384 /nfs/dbraw/zinc/96/93/84/1060969384.db2.gz MYBZPKQXHJKOTC-DVECYGJZSA-N 0 3 452.603 2.579 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001286808741 1060998964 /nfs/dbraw/zinc/99/89/64/1060998964.db2.gz NGTFUEPSVLJJRM-YPAWHYETSA-N 0 3 452.603 2.876 20 30 JFEDHN C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286827239 1061074553 /nfs/dbraw/zinc/07/45/53/1061074553.db2.gz HVGQRCMCKBRBQO-JOCHJYFZSA-N 0 3 451.644 2.952 20 30 JFEDHN C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286834207 1061085754 /nfs/dbraw/zinc/08/57/54/1061085754.db2.gz CSIHKIZXUNPNPZ-JOCHJYFZSA-N 0 3 484.670 2.828 20 30 JFEDHN CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001294394051 1061965384 /nfs/dbraw/zinc/96/53/84/1061965384.db2.gz WCDJBHQRFXHORC-QHCPKHFHSA-N 0 3 451.619 2.850 20 30 JFEDHN CCCN(CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294522248 1062058024 /nfs/dbraw/zinc/05/80/24/1062058024.db2.gz RLADUNFXJHNPJQ-QFIPXVFZSA-N 0 3 499.685 2.500 20 30 JFEDHN CCCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294700435 1062265984 /nfs/dbraw/zinc/26/59/84/1062265984.db2.gz SOVRLLWHJWEEJK-SFTDATJTSA-N 0 3 456.616 2.705 20 30 JFEDHN CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287158726 1062552823 /nfs/dbraw/zinc/55/28/23/1062552823.db2.gz UXMHTEZQOUKZSD-RTWAWAEBSA-N 0 3 456.616 2.560 20 30 JFEDHN CC(C)Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001287482675 1062939546 /nfs/dbraw/zinc/93/95/46/1062939546.db2.gz XNYAQPYXOVHOOS-DQRAZIAOSA-N 0 3 457.623 2.561 20 30 JFEDHN CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295173603 1062996435 /nfs/dbraw/zinc/99/64/35/1062996435.db2.gz FKSOSRYFIACAEZ-FQEVSTJZSA-N 0 3 456.616 2.705 20 30 JFEDHN C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 ZINC001291068534 1063016193 /nfs/dbraw/zinc/01/61/93/1063016193.db2.gz PIRUJZWVFPEOTI-KKLQWCBXSA-N 0 3 462.664 2.821 20 30 JFEDHN CC1CCN(C[C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001291179573 1063268226 /nfs/dbraw/zinc/26/82/26/1063268226.db2.gz HGQFYQWEHWDDCB-OAQYLSRUSA-N 0 3 470.643 2.810 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296010856 1064069609 /nfs/dbraw/zinc/06/96/09/1064069609.db2.gz MRLHMBUYOZTTSJ-JTAQYXEDSA-N 0 3 479.629 2.906 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296012107 1064072734 /nfs/dbraw/zinc/07/27/34/1064072734.db2.gz RKAGMDZJEWFZJU-QKLOHGEXSA-N 0 3 493.612 2.611 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291605274 1064140607 /nfs/dbraw/zinc/14/06/07/1064140607.db2.gz ICOOBWHLUAMGKT-FCHUYYIVSA-N 0 3 479.677 2.658 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296127156 1064221239 /nfs/dbraw/zinc/22/12/39/1064221239.db2.gz UBBKOQIAUDBDRJ-RBBKRZOGSA-N 0 3 451.619 2.706 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296135045 1064238392 /nfs/dbraw/zinc/23/83/92/1064238392.db2.gz VDXIAMNEEAQICQ-NHCUHLMSSA-N 0 3 469.659 2.634 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190359 1064338040 /nfs/dbraw/zinc/33/80/40/1064338040.db2.gz CKGJMPCCHVMDBF-MHECFPHRSA-N 0 3 475.563 2.863 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190401 1064338667 /nfs/dbraw/zinc/33/86/67/1064338667.db2.gz DAJLLZBBTRUDTP-NBGIEHNGSA-N 0 3 453.610 2.893 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190402 1064338934 /nfs/dbraw/zinc/33/89/34/1064338934.db2.gz DAJLLZBBTRUDTP-NLFFAJNJSA-N 0 3 453.610 2.893 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191134 1064341216 /nfs/dbraw/zinc/34/12/16/1064341216.db2.gz HFBPWHYSNSMEBH-NZQKXSOJSA-N 0 3 451.619 2.564 20 30 JFEDHN CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292185574 1064977048 /nfs/dbraw/zinc/97/70/48/1064977048.db2.gz QWRKSAPRJWKUDW-DHIUTWEWSA-N 0 3 451.619 2.846 20 30 JFEDHN Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc12 ZINC001292406855 1065141112 /nfs/dbraw/zinc/14/11/12/1065141112.db2.gz RDCLYCMDSFBUSP-MRXNPFEDSA-N 0 3 452.584 2.524 20 30 JFEDHN CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001293099693 1065749526 /nfs/dbraw/zinc/74/95/26/1065749526.db2.gz AMFWLQLPICRCEI-QFIPXVFZSA-N 0 3 499.063 2.635 20 30 JFEDHN CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001293099692 1065749583 /nfs/dbraw/zinc/74/95/83/1065749583.db2.gz AMFWLQLPICRCEI-JOCHJYFZSA-N 0 3 499.063 2.635 20 30 JFEDHN CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CCN1CCOC ZINC001293561039 1066075148 /nfs/dbraw/zinc/07/51/48/1066075148.db2.gz NFINNDIDAWTXPR-HSZRJFAPSA-N 0 3 462.602 2.959 20 30 JFEDHN CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCN2CCN(CC)CC2)C[C@H](C)O1 ZINC001293640916 1066157556 /nfs/dbraw/zinc/15/75/56/1066157556.db2.gz WHLOOKJEUADDRQ-GMAHTHKFSA-N 0 3 481.645 2.760 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828316 720306366 /nfs/dbraw/zinc/30/63/66/720306366.db2.gz ZXVMYFDGALKQTG-HOTGVXAUSA-N 0 3 453.012 2.572 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742107 720819163 /nfs/dbraw/zinc/81/91/63/720819163.db2.gz PWGLSMMMTAJYHT-HLLBOEOZSA-N 0 3 463.011 2.631 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742107 720819165 /nfs/dbraw/zinc/81/91/65/720819165.db2.gz PWGLSMMMTAJYHT-HLLBOEOZSA-N 0 3 463.011 2.631 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742109 720819855 /nfs/dbraw/zinc/81/98/55/720819855.db2.gz PWGLSMMMTAJYHT-ZMSDIMECSA-N 0 3 463.011 2.631 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742109 720819856 /nfs/dbraw/zinc/81/98/56/720819856.db2.gz PWGLSMMMTAJYHT-ZMSDIMECSA-N 0 3 463.011 2.631 20 30 JFEDHN COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867204 721112008 /nfs/dbraw/zinc/11/20/08/721112008.db2.gz WVEYTJKMYFBECH-FGZHOGPDSA-N 0 3 464.642 2.972 20 30 JFEDHN C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286338740 1060093669 /nfs/dbraw/zinc/09/36/69/1060093669.db2.gz DQACWYWRLPHICJ-HXUWFJFHSA-N 0 3 472.540 2.703 20 30 JFEDHN C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001286378107 1060142127 /nfs/dbraw/zinc/14/21/27/1060142127.db2.gz HOBHVWPBPJWKDB-UHFFFAOYSA-N 0 3 450.612 2.708 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382026 1060153275 /nfs/dbraw/zinc/15/32/75/1060153275.db2.gz IRPDZHLJTZXOMM-JAXLGGSGSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387219 1060199653 /nfs/dbraw/zinc/19/96/53/1060199653.db2.gz BLWSVGPVCJAOKT-JTHBVZDNSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387640 1060202662 /nfs/dbraw/zinc/20/26/62/1060202662.db2.gz HKUIICRJUXSLDW-RBBKRZOGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387974 1060205631 /nfs/dbraw/zinc/20/56/31/1060205631.db2.gz JHQWJGGQWRGHST-RBBKRZOGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286392755 1060240092 /nfs/dbraw/zinc/24/00/92/1060240092.db2.gz NLKHLSPPFAVYJV-QFIPXVFZSA-N 0 3 469.655 2.564 20 30 JFEDHN C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393029 1060241325 /nfs/dbraw/zinc/24/13/25/1060241325.db2.gz IYIKKNBCZHIJFN-OAQYLSRUSA-N 0 3 475.634 2.754 20 30 JFEDHN C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393656 1060245693 /nfs/dbraw/zinc/24/56/93/1060245693.db2.gz RGFSVZZSUPEIOE-WIYYLYMNSA-N 0 3 490.699 2.525 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286393905 1060247041 /nfs/dbraw/zinc/24/70/41/1060247041.db2.gz LQWAJJUYZMPIHR-GOTSBHOMSA-N 0 3 487.645 2.755 20 30 JFEDHN C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286394254 1060249786 /nfs/dbraw/zinc/24/97/86/1060249786.db2.gz HYCULINDOBEWTG-PKTZIBPZSA-N 0 3 499.681 2.913 20 30 JFEDHN C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397197 1060268263 /nfs/dbraw/zinc/26/82/63/1060268263.db2.gz YCPYMHFLYUBAJH-RTWAWAEBSA-N 0 3 463.692 2.861 20 30 JFEDHN C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCCN1CC ZINC001286397746 1060270137 /nfs/dbraw/zinc/27/01/37/1060270137.db2.gz PPVCGVHHPNVMIC-NRFANRHFSA-N 0 3 452.990 2.809 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286398708 1060276062 /nfs/dbraw/zinc/27/60/62/1060276062.db2.gz MZZBDVWIAJUCMH-BHDDXSALSA-N 0 3 491.702 2.698 20 30 JFEDHN C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286399592 1060279502 /nfs/dbraw/zinc/27/95/02/1060279502.db2.gz JWBRBXMDZWAHGQ-DEOSSOPVSA-N 0 3 472.637 2.764 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C)N1CCCCC1 ZINC001286402336 1060284858 /nfs/dbraw/zinc/28/48/58/1060284858.db2.gz WFZDDMDJCMDPSY-FQEVSTJZSA-N 0 3 453.612 2.686 20 30 JFEDHN C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001286416701 1060304422 /nfs/dbraw/zinc/30/44/22/1060304422.db2.gz VSWHQJSZJKDTQU-FQEVSTJZSA-N 0 3 472.618 2.789 20 30 JFEDHN C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001286419360 1060307657 /nfs/dbraw/zinc/30/76/57/1060307657.db2.gz UHBYAGWWPHNPRT-NRFANRHFSA-N 0 3 455.566 2.909 20 30 JFEDHN C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001286444827 1060333003 /nfs/dbraw/zinc/33/30/03/1060333003.db2.gz BXTGAGQDZJTVNF-JOCHJYFZSA-N 0 3 487.693 2.880 20 30 JFEDHN C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001286466185 1060353516 /nfs/dbraw/zinc/35/35/16/1060353516.db2.gz XGEQOFIQCKHDJM-RPWUZVMVSA-N 0 3 467.614 2.897 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286491384 1060484850 /nfs/dbraw/zinc/48/48/50/1060484850.db2.gz PPUSZJZOMMZFGT-DEOSSOPVSA-N 0 3 489.599 2.672 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001286519052 1060554909 /nfs/dbraw/zinc/55/49/09/1060554909.db2.gz PUFCEIPZPCNHKG-JIPXPUAJSA-N 0 3 481.641 2.999 20 30 JFEDHN C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001286530278 1060563364 /nfs/dbraw/zinc/56/33/64/1060563364.db2.gz KXVSYARLYCPUMO-LJQANCHMSA-N 0 3 496.498 2.710 20 30 JFEDHN C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286592762 1060691927 /nfs/dbraw/zinc/69/19/27/1060691927.db2.gz UPLUNXLDVJJWTP-NRFANRHFSA-N 0 3 490.649 2.711 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286604260 1060709013 /nfs/dbraw/zinc/70/90/13/1060709013.db2.gz QNPGCIWBNCZLBI-OFVILXPXSA-N 0 3 491.640 2.788 20 30 JFEDHN C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001286662882 1060774390 /nfs/dbraw/zinc/77/43/90/1060774390.db2.gz ZQUPYUVGUHWBTD-QFIPXVFZSA-N 0 3 451.619 2.609 20 30 JFEDHN C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286673043 1060787757 /nfs/dbraw/zinc/78/77/57/1060787757.db2.gz SZGYZGHELPLLHJ-KSEOMHKRSA-N 0 3 458.651 2.763 20 30 JFEDHN C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286683462 1060796684 /nfs/dbraw/zinc/79/66/84/1060796684.db2.gz RNTNKURHRFWHOG-UHFFFAOYSA-N 0 3 453.591 2.830 20 30 JFEDHN C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286703532 1060816111 /nfs/dbraw/zinc/81/61/11/1060816111.db2.gz CMIFNPMUAZLPFB-NRFANRHFSA-N 0 3 456.566 2.705 20 30 JFEDHN C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286708653 1060824790 /nfs/dbraw/zinc/82/47/90/1060824790.db2.gz RMRCFKVHOBQSSN-SQJMNOBHSA-N 0 3 491.640 2.788 20 30 JFEDHN C=CCN(CC=C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1)C(C)C ZINC001286751882 1060879845 /nfs/dbraw/zinc/87/98/45/1060879845.db2.gz VBPUWMKPRSSJRJ-QFIPXVFZSA-N 0 3 497.688 2.661 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001286782085 1060928006 /nfs/dbraw/zinc/92/80/06/1060928006.db2.gz JZTNTNPDZKTPJE-KBPBESRZSA-N 0 3 467.437 2.990 20 30 JFEDHN C=CCOc1ccc(Cn2c(C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)cc1 ZINC001286794638 1060969232 /nfs/dbraw/zinc/96/92/32/1060969232.db2.gz MYBZPKQXHJKOTC-CYFREDJKSA-N 0 3 452.603 2.579 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001286803152 1060989639 /nfs/dbraw/zinc/98/96/39/1060989639.db2.gz DEMFLPHBQOMALS-OAQYLSRUSA-N 0 3 484.645 2.770 20 30 JFEDHN C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001286803829 1060990795 /nfs/dbraw/zinc/99/07/95/1060990795.db2.gz KDXUKNFTAISOSH-OFNKIYASSA-N 0 3 454.619 2.761 20 30 JFEDHN Cc1noc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001290958973 1062835687 /nfs/dbraw/zinc/83/56/87/1062835687.db2.gz USYFOKAHTFCORO-UHFFFAOYSA-N 0 3 464.574 2.974 20 30 JFEDHN C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001291104922 1063085853 /nfs/dbraw/zinc/08/58/53/1063085853.db2.gz BURVAUZNZMLLHU-WOIUINJBSA-N 0 3 470.643 2.951 20 30 JFEDHN CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001287777318 1063099819 /nfs/dbraw/zinc/09/98/19/1063099819.db2.gz MREFYXIHFXRISC-UHFFFAOYSA-N 0 3 467.618 2.669 20 30 JFEDHN CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)c1ccco1 ZINC001295400222 1063387001 /nfs/dbraw/zinc/38/70/01/1063387001.db2.gz ZSBOZJODVKIMII-QFIPXVFZSA-N 0 3 491.596 2.788 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CCOCC2)CC1 ZINC001295482404 1063501231 /nfs/dbraw/zinc/50/12/31/1063501231.db2.gz NASDBKSNUWVMAN-UHFFFAOYSA-N 0 3 479.629 2.624 20 30 JFEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295834971 1063851265 /nfs/dbraw/zinc/85/12/65/1063851265.db2.gz YSWRIIFGMIKJKQ-OAQYLSRUSA-N 0 3 463.508 2.793 20 30 JFEDHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296056488 1064117513 /nfs/dbraw/zinc/11/75/13/1064117513.db2.gz LPFCKQVTHLMQQD-JOCHJYFZSA-N 0 3 465.602 2.523 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001291644467 1064198317 /nfs/dbraw/zinc/19/83/17/1064198317.db2.gz XUFLNSQWGLULNC-ZBKJMMEJSA-N 0 3 457.623 2.876 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001296123859 1064216149 /nfs/dbraw/zinc/21/61/49/1064216149.db2.gz CZEGNHVIMMBMOZ-FGZHOGPDSA-N 0 3 492.672 2.536 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296127645 1064222053 /nfs/dbraw/zinc/22/20/53/1064222053.db2.gz WICJTGYHJCIBGG-UXHICEINSA-N 0 3 451.619 2.846 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296135487 1064240092 /nfs/dbraw/zinc/24/00/92/1064240092.db2.gz ZGLGXLOAMNCRBN-NHCUHLMSSA-N 0 3 451.619 2.991 20 30 JFEDHN CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291785417 1064281157 /nfs/dbraw/zinc/28/11/57/1064281157.db2.gz VNXZRXIIVSXHAI-SIKLNZKXSA-N 0 3 488.658 2.863 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190358 1064337832 /nfs/dbraw/zinc/33/78/32/1064337832.db2.gz CKGJMPCCHVMDBF-KOSHJBKYSA-N 0 3 475.563 2.863 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296194985 1064358880 /nfs/dbraw/zinc/35/88/80/1064358880.db2.gz UIQFEINEJLHAAK-NRFANRHFSA-N 0 3 450.635 2.668 20 30 JFEDHN CCN1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296213031 1064406614 /nfs/dbraw/zinc/40/66/14/1064406614.db2.gz FHUWVYDEAIRKNG-OAQYLSRUSA-N 0 3 469.659 2.635 20 30 JFEDHN CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC001292460601 1065189132 /nfs/dbraw/zinc/18/91/32/1065189132.db2.gz JEQGASMYHXUUGO-MLCQCVOFSA-N 0 3 468.602 2.596 20 30 JFEDHN CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCN1CCOC ZINC001294069903 1066540403 /nfs/dbraw/zinc/54/04/03/1066540403.db2.gz ZQTDIJWHQILJRB-RCZVLFRGSA-N 0 3 468.602 2.559 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742108 720819295 /nfs/dbraw/zinc/81/92/95/720819295.db2.gz PWGLSMMMTAJYHT-YQQAZPJKSA-N 0 3 463.011 2.631 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742108 720819296 /nfs/dbraw/zinc/81/92/96/720819296.db2.gz PWGLSMMMTAJYHT-YQQAZPJKSA-N 0 3 463.011 2.631 20 30 JFEDHN COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867202 721111209 /nfs/dbraw/zinc/11/12/09/721111209.db2.gz WVEYTJKMYFBECH-FCHUYYIVSA-N 0 3 464.642 2.972 20 30 JFEDHN CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909903 721561305 /nfs/dbraw/zinc/56/13/05/721561305.db2.gz VEDDSMFRHCMXLB-DFQSSKMNSA-N 0 3 453.518 2.906 20 30 JFEDHN CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909910 721561334 /nfs/dbraw/zinc/56/13/34/721561334.db2.gz VEDDSMFRHCMXLB-YZGWKJHDSA-N 0 3 453.518 2.906 20 30 JFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001263375372 1059478188 /nfs/dbraw/zinc/47/81/88/1059478188.db2.gz NULQZISGOGQOCW-SFHVURJKSA-N 0 3 459.499 2.970 20 30 JFEDHN C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286302201 1060054319 /nfs/dbraw/zinc/05/43/19/1060054319.db2.gz RMZXGQVLYJMMLN-NQIIRXRSSA-N 0 3 473.021 2.911 20 30 JFEDHN C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001286304445 1060056673 /nfs/dbraw/zinc/05/66/73/1060056673.db2.gz WOKCNTLPDPIYDA-JOCHJYFZSA-N 0 3 460.630 2.810 20 30 JFEDHN C#CCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286337357 1060091554 /nfs/dbraw/zinc/09/15/54/1060091554.db2.gz FMKOFVSDNAFVDZ-UHFFFAOYSA-N 0 3 485.430 2.865 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286380756 1060149322 /nfs/dbraw/zinc/14/93/22/1060149322.db2.gz DCIXGFUVVVIIEP-JTHBVZDNSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382031 1060153204 /nfs/dbraw/zinc/15/32/04/1060153204.db2.gz IRPDZHLJTZXOMM-ONTIZHBOSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286382381 1060153972 /nfs/dbraw/zinc/15/39/72/1060153972.db2.gz IZDDZPHMLICOLB-IRLDBZIGSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385334 1060175341 /nfs/dbraw/zinc/17/53/41/1060175341.db2.gz WOTOYBSATBIDCL-PKTZIBPZSA-N 0 3 455.628 2.516 20 30 JFEDHN C#CCN(c1nnc(C)n1C[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286385333 1060175359 /nfs/dbraw/zinc/17/53/59/1060175359.db2.gz WOTOYBSATBIDCL-GOTSBHOMSA-N 0 3 455.628 2.516 20 30 JFEDHN C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286386804 1060192384 /nfs/dbraw/zinc/19/23/84/1060192384.db2.gz HULFNCAUKRVQKM-KRWDZBQOSA-N 0 3 462.019 2.710 20 30 JFEDHN C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286387680 1060203329 /nfs/dbraw/zinc/20/33/29/1060203329.db2.gz UBVGNGAGAIQQHF-PMACEKPBSA-N 0 3 473.643 2.557 20 30 JFEDHN C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286390093 1060222850 /nfs/dbraw/zinc/22/28/50/1060222850.db2.gz WSOFWGGKGXRQAC-LJQANCHMSA-N 0 3 468.627 2.783 20 30 JFEDHN C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286390710 1060227608 /nfs/dbraw/zinc/22/76/08/1060227608.db2.gz BDWBDCUGGQNFTI-VSKRKVRLSA-N 0 3 477.675 2.657 20 30 JFEDHN C#CCN(c1nnc(CCc2ccccc2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286391216 1060230494 /nfs/dbraw/zinc/23/04/94/1060230494.db2.gz GZBUJVUXDZOMEZ-LADGPHEKSA-N 0 3 483.682 2.955 20 30 JFEDHN C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286394252 1060249637 /nfs/dbraw/zinc/24/96/37/1060249637.db2.gz HYCULINDOBEWTG-GOTSBHOMSA-N 0 3 499.681 2.913 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286401365 1060283142 /nfs/dbraw/zinc/28/31/42/1060283142.db2.gz LHWACVYYNCXVDN-IBGZPJMESA-N 0 3 469.431 2.806 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H](C)N1CCCCC1 ZINC001286402338 1060284901 /nfs/dbraw/zinc/28/49/01/1060284901.db2.gz WFZDDMDJCMDPSY-HXUWFJFHSA-N 0 3 453.612 2.686 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001286425397 1060313962 /nfs/dbraw/zinc/31/39/62/1060313962.db2.gz YQMYKGOUDGRFDR-QFIPXVFZSA-N 0 3 471.594 2.748 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001286425943 1060315051 /nfs/dbraw/zinc/31/50/51/1060315051.db2.gz DKNNRKDQUBASSV-DHIUTWEWSA-N 0 3 460.582 2.538 20 30 JFEDHN C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286449067 1060334276 /nfs/dbraw/zinc/33/42/76/1060334276.db2.gz JGQIQQNYPZKGSX-QHCPKHFHSA-N 0 3 461.614 2.752 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccccc2)CC1 ZINC001286493711 1060503620 /nfs/dbraw/zinc/50/36/20/1060503620.db2.gz PGASRDOGQKSIOH-QHCPKHFHSA-N 0 3 464.614 2.618 20 30 JFEDHN C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286503340 1060527598 /nfs/dbraw/zinc/52/75/98/1060527598.db2.gz DKSJGSFBOCDJDG-HXUWFJFHSA-N 0 3 473.046 2.708 20 30 JFEDHN C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286504789 1060530235 /nfs/dbraw/zinc/53/02/35/1060530235.db2.gz UGHCDMBXWNAEOI-NFBKMPQASA-N 0 3 496.681 2.699 20 30 JFEDHN C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001286566831 1060655681 /nfs/dbraw/zinc/65/56/81/1060655681.db2.gz JTQNETHHYKZDFT-MOPGFXCFSA-N 0 3 460.648 2.738 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001286604151 1060707671 /nfs/dbraw/zinc/70/76/71/1060707671.db2.gz GMOWKRSACLPOCQ-VQTJNVASSA-N 0 3 490.674 2.707 20 30 JFEDHN C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286605139 1060711677 /nfs/dbraw/zinc/71/16/77/1060711677.db2.gz HLBJSBCTEDGXEC-OAQYLSRUSA-N 0 3 454.619 2.763 20 30 JFEDHN C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001286606992 1060716226 /nfs/dbraw/zinc/71/62/26/1060716226.db2.gz ILDDQKJRQJJOFP-UHFFFAOYSA-N 0 3 458.570 2.912 20 30 JFEDHN C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001286607508 1060717378 /nfs/dbraw/zinc/71/73/78/1060717378.db2.gz QNKNZCOGJDLPJJ-RTBURBONSA-N 0 3 475.663 2.750 20 30 JFEDHN C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286609578 1060720196 /nfs/dbraw/zinc/72/01/96/1060720196.db2.gz MUXMZTFMTRAFSF-JOCHJYFZSA-N 0 3 487.048 2.858 20 30 JFEDHN C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001286612219 1060723216 /nfs/dbraw/zinc/72/32/16/1060723216.db2.gz WULUXGBUPSYSBA-QFIPXVFZSA-N 0 3 473.691 2.831 20 30 JFEDHN C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001286764610 1060890193 /nfs/dbraw/zinc/89/01/93/1060890193.db2.gz UQYTVZGJEIBBFD-UHFFFAOYSA-N 0 3 450.591 2.589 20 30 JFEDHN C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001286791382 1060956276 /nfs/dbraw/zinc/95/62/76/1060956276.db2.gz SFZBLCDKOFTCFY-NRFANRHFSA-N 0 3 468.602 2.651 20 30 JFEDHN C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001286803151 1060988704 /nfs/dbraw/zinc/98/87/04/1060988704.db2.gz DEMFLPHBQOMALS-NRFANRHFSA-N 0 3 484.645 2.770 20 30 JFEDHN C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286827144 1061074443 /nfs/dbraw/zinc/07/44/43/1061074443.db2.gz FFHOUFSXNYTOLC-NRFANRHFSA-N 0 3 470.643 2.616 20 30 JFEDHN C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286831027 1061078970 /nfs/dbraw/zinc/07/89/70/1061078970.db2.gz ZPTJJHHRILQSEL-NRFANRHFSA-N 0 3 454.644 2.916 20 30 JFEDHN C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286834210 1061085671 /nfs/dbraw/zinc/08/56/71/1061085671.db2.gz CSIHKIZXUNPNPZ-QFIPXVFZSA-N 0 3 484.670 2.828 20 30 JFEDHN CC(C)(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1COCCO1 ZINC001287030580 1061981602 /nfs/dbraw/zinc/98/16/02/1061981602.db2.gz OCNUINJNHXKRQY-QFIPXVFZSA-N 0 3 452.603 2.866 20 30 JFEDHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 ZINC001287039496 1062006185 /nfs/dbraw/zinc/00/61/85/1062006185.db2.gz HNUVKBAEASAPJE-UHFFFAOYSA-N 0 3 462.558 2.997 20 30 JFEDHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287041599 1062010084 /nfs/dbraw/zinc/01/00/84/1062010084.db2.gz NMNOTKLLSBPFNM-VLMSHNLISA-N 0 3 485.633 2.604 20 30 JFEDHN CCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294700429 1062265831 /nfs/dbraw/zinc/26/58/31/1062265831.db2.gz SOVRLLWHJWEEJK-NHCUHLMSSA-N 0 3 456.616 2.705 20 30 JFEDHN CC(C)(CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001287092696 1062289377 /nfs/dbraw/zinc/28/93/77/1062289377.db2.gz AEBDYFVJLSXTOQ-HSZRJFAPSA-N 0 3 474.606 2.913 20 30 JFEDHN CC(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001287207513 1062653720 /nfs/dbraw/zinc/65/37/20/1062653720.db2.gz OBKBZPLJCCLAKE-UHFFFAOYSA-N 0 3 470.643 2.810 20 30 JFEDHN CC(C)Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001287456687 1062894352 /nfs/dbraw/zinc/89/43/52/1062894352.db2.gz IIKMPCFWRUMTGK-NBGIEHNGSA-N 0 3 452.603 2.600 20 30 JFEDHN CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001295315428 1063189284 /nfs/dbraw/zinc/18/92/84/1063189284.db2.gz VTVAAYNCDKPMHK-JOCHJYFZSA-N 0 3 479.629 2.624 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001295481852 1063494863 /nfs/dbraw/zinc/49/48/63/1063494863.db2.gz BHMGCIHVBZPYOC-RBBKRZOGSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2occc2C)CC1 ZINC001295482263 1063499043 /nfs/dbraw/zinc/49/90/43/1063499043.db2.gz HFQIIPCAEMOPEO-UHFFFAOYSA-N 0 3 461.570 2.757 20 30 JFEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)CCC(F)(F)F ZINC001295827020 1063835197 /nfs/dbraw/zinc/83/51/97/1063835197.db2.gz JCKGSGKWFMRYIS-IBGZPJMESA-N 0 3 490.534 2.647 20 30 JFEDHN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001291390466 1063940866 /nfs/dbraw/zinc/94/08/66/1063940866.db2.gz XWYNHBDVGSGKLD-FQRUVTKNSA-N 0 3 481.645 2.604 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296012105 1064072710 /nfs/dbraw/zinc/07/27/10/1064072710.db2.gz RKAGMDZJEWFZJU-PZUVVTABSA-N 0 3 493.612 2.611 20 30 JFEDHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001296073760 1064139481 /nfs/dbraw/zinc/13/94/81/1064139481.db2.gz HLIYHJFNUSGKDH-IBGZPJMESA-N 0 3 482.608 2.628 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001291605275 1064140681 /nfs/dbraw/zinc/14/06/81/1064140681.db2.gz ICOOBWHLUAMGKT-FGZHOGPDSA-N 0 3 479.677 2.658 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296135047 1064238363 /nfs/dbraw/zinc/23/83/63/1064238363.db2.gz VDXIAMNEEAQICQ-SFTDATJTSA-N 0 3 469.659 2.634 20 30 JFEDHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(C)C)C2)CC1 ZINC001296179339 1064308818 /nfs/dbraw/zinc/30/88/18/1064308818.db2.gz FKOZNSPFLGCJLQ-QHCPKHFHSA-N 0 3 451.619 2.848 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001296190384 1064338834 /nfs/dbraw/zinc/33/88/34/1064338834.db2.gz CUSCUMUWKFOROQ-OAQYLSRUSA-N 0 3 465.646 2.891 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296196614 1064368645 /nfs/dbraw/zinc/36/86/45/1064368645.db2.gz YKISYYVESJTDMT-NTKDMRAZSA-N 0 3 457.573 2.724 20 30 JFEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296196872 1064370231 /nfs/dbraw/zinc/37/02/31/1064370231.db2.gz VNVIIKDRPDXYQN-ZJSXRUAMSA-N 0 3 481.645 2.618 20 30 JFEDHN CCN1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001296212398 1064404461 /nfs/dbraw/zinc/40/44/61/1064404461.db2.gz YDNJRQHYHXHFAA-UHFFFAOYSA-N 0 3 451.619 2.645 20 30 JFEDHN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292185577 1064976948 /nfs/dbraw/zinc/97/69/48/1064976948.db2.gz QWRKSAPRJWKUDW-GOTSBHOMSA-N 0 3 451.619 2.846 20 30 JFEDHN CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001292185579 1064977173 /nfs/dbraw/zinc/97/71/73/1064977173.db2.gz QWRKSAPRJWKUDW-PKTZIBPZSA-N 0 3 451.619 2.846 20 30 JFEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccn(CC)c2=O)CCN1CCOC ZINC001294065555 1066535801 /nfs/dbraw/zinc/53/58/01/1066535801.db2.gz DBDDGNDMKIUTFJ-XMMPIXPASA-N 0 3 489.624 2.984 20 30 JFEDHN CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CCN1CCOC ZINC001294069905 1066540436 /nfs/dbraw/zinc/54/04/36/1066540436.db2.gz ZQTDIJWHQILJRB-WIOPSUGQSA-N 0 3 468.602 2.559 20 30 JFEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903493 721553992 /nfs/dbraw/zinc/55/39/92/721553992.db2.gz BNNLVEGJINETCE-YSIASYRMSA-N 0 3 461.497 2.891 20 30 JFEDHN CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909908 721561003 /nfs/dbraw/zinc/56/10/03/721561003.db2.gz VEDDSMFRHCMXLB-YSIASYRMSA-N 0 3 453.518 2.906 20 30 JFEDHN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979664 722142108 /nfs/dbraw/zinc/14/21/08/722142108.db2.gz LROTUGYIDKFYOR-VIZSFHNOSA-N 0 3 472.549 2.532 20 30 JFEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccc(C)n3)n2CCN2CC=CCC2)c1 ZINC001286309628 1060064649 /nfs/dbraw/zinc/06/46/49/1060064649.db2.gz NTUUHLLNFHUKDY-UHFFFAOYSA-N 0 3 455.566 2.967 20 30 JFEDHN C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286316671 1060077721 /nfs/dbraw/zinc/07/77/21/1060077721.db2.gz FDBBKMPZYVPZSL-JOCHJYFZSA-N 0 3 466.630 2.982 20 30 JFEDHN C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286335268 1060088857 /nfs/dbraw/zinc/08/88/57/1060088857.db2.gz RRCONOVBZRGPKU-UHFFFAOYSA-N 0 3 453.587 2.970 20 30 JFEDHN C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001286337830 1060092347 /nfs/dbraw/zinc/09/23/47/1060092347.db2.gz WHHGJHUYLKNEAS-LJQANCHMSA-N 0 3 474.451 2.676 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286380749 1060149356 /nfs/dbraw/zinc/14/93/56/1060149356.db2.gz DCIXGFUVVVIIEP-GGAORHGYSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382397 1060155321 /nfs/dbraw/zinc/15/53/21/1060155321.db2.gz JCYFPWVBYISGDF-FXAWDEMLSA-N 0 3 462.019 2.567 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286385805 1060180021 /nfs/dbraw/zinc/18/00/21/1060180021.db2.gz ZQPBWEBGHYAUMS-HXUWFJFHSA-N 0 3 462.019 2.711 20 30 JFEDHN C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387562 1060202045 /nfs/dbraw/zinc/20/20/45/1060202045.db2.gz SISHHYLJIHDESZ-FCHUYYIVSA-N 0 3 470.643 2.621 20 30 JFEDHN C#CCN(c1nnc(-c2cccc3cccnc32)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286387786 1060203744 /nfs/dbraw/zinc/20/37/44/1060203744.db2.gz ICGQXPHNRJZKBP-CTNGQTDRSA-N 0 3 480.638 2.850 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389254 1060219666 /nfs/dbraw/zinc/21/96/66/1060219666.db2.gz ZXZCLDYQZHRONE-RZUBCFFCSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(C2CC2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389276 1060220178 /nfs/dbraw/zinc/22/01/78/1060220178.db2.gz HEBIKZRXVJEILG-DENIHFKCSA-N 0 3 455.628 2.693 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286395183 1060254142 /nfs/dbraw/zinc/25/41/42/1060254142.db2.gz RGJFRFGYCWRWRL-OFNKIYASSA-N 0 3 487.645 2.899 20 30 JFEDHN C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286396447 1060262207 /nfs/dbraw/zinc/26/22/07/1060262207.db2.gz PTRQCUGARROEKH-VXKWHMMOSA-N 0 3 485.654 2.524 20 30 JFEDHN C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286399014 1060277731 /nfs/dbraw/zinc/27/77/31/1060277731.db2.gz WNHJADVKPONWSK-ACIOBRDBSA-N 0 3 485.654 2.667 20 30 JFEDHN C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286401367 1060283013 /nfs/dbraw/zinc/28/30/13/1060283013.db2.gz LHWACVYYNCXVDN-LJQANCHMSA-N 0 3 469.431 2.806 20 30 JFEDHN C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001286416703 1060304306 /nfs/dbraw/zinc/30/43/06/1060304306.db2.gz VSWHQJSZJKDTQU-HXUWFJFHSA-N 0 3 472.618 2.789 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001286424136 1060312038 /nfs/dbraw/zinc/31/20/38/1060312038.db2.gz ZPVVCBTXLAULHI-RDGATRHJSA-N 0 3 453.562 2.835 20 30 JFEDHN C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001286425946 1060314832 /nfs/dbraw/zinc/31/48/32/1060314832.db2.gz DKNNRKDQUBASSV-XZOQPEGZSA-N 0 3 460.582 2.538 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286438553 1060329967 /nfs/dbraw/zinc/32/99/67/1060329967.db2.gz FJFQODOXFXCPNU-HSZRJFAPSA-N 0 3 470.625 2.620 20 30 JFEDHN C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286457697 1060339362 /nfs/dbraw/zinc/33/93/62/1060339362.db2.gz CMOWHJSOMVOILC-FYYLOGMGSA-N 0 3 482.604 2.504 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(CC)CCC(F)(F)F)CC1 ZINC001286476092 1060391718 /nfs/dbraw/zinc/39/17/18/1060391718.db2.gz NTZLAHCYYDRFBE-UHFFFAOYSA-N 0 3 459.520 2.846 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001286489933 1060469218 /nfs/dbraw/zinc/46/92/18/1060469218.db2.gz DJZCYKJEEWXQJC-JOCHJYFZSA-N 0 3 452.578 2.953 20 30 JFEDHN C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286498747 1060519644 /nfs/dbraw/zinc/51/96/44/1060519644.db2.gz LNPYDDWZZXPXNJ-QFIPXVFZSA-N 0 3 466.655 2.617 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001286514565 1060549463 /nfs/dbraw/zinc/54/94/63/1060549463.db2.gz LGDHQRXYSRIKSU-RUZDIDTESA-N 0 3 465.602 2.807 20 30 JFEDHN C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286533035 1060569168 /nfs/dbraw/zinc/56/91/68/1060569168.db2.gz CNCUYWFSCIPSBO-INIZCTEOSA-N 0 3 477.363 2.920 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286604256 1060708287 /nfs/dbraw/zinc/70/82/87/1060708287.db2.gz HKFSJVQOGAWAOF-SQJMNOBHSA-N 0 3 496.656 2.925 20 30 JFEDHN C=C(Cl)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001286619670 1060735913 /nfs/dbraw/zinc/73/59/13/1060735913.db2.gz UYBTXZDTMAGDIZ-UHFFFAOYSA-N 0 3 488.036 2.890 20 30 JFEDHN C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC001286637826 1060757693 /nfs/dbraw/zinc/75/76/93/1060757693.db2.gz NNAHTNOKPQDUCR-DENIHFKCSA-N 0 3 488.658 2.890 20 30 JFEDHN C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286670329 1060782268 /nfs/dbraw/zinc/78/22/68/1060782268.db2.gz GPDZSNQZDMEFSS-UGKGYDQZSA-N 0 3 468.650 2.660 20 30 JFEDHN C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286710765 1060829518 /nfs/dbraw/zinc/82/95/18/1060829518.db2.gz CWOBSBPKHNFKJV-GBXCKJPGSA-N 0 3 481.645 2.620 20 30 JFEDHN C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001286792113 1060959383 /nfs/dbraw/zinc/95/93/83/1060959383.db2.gz MNQPLPXBRGIBCZ-UHFFFAOYSA-N 0 3 452.603 2.922 20 30 JFEDHN C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001286798789 1060980233 /nfs/dbraw/zinc/98/02/33/1060980233.db2.gz OKIIJSDPFUEISV-OALUTQOASA-N 0 3 453.591 2.827 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001286798788 1060980380 /nfs/dbraw/zinc/98/03/80/1060980380.db2.gz OKIIJSDPFUEISV-MOPGFXCFSA-N 0 3 453.591 2.827 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001286804787 1060993110 /nfs/dbraw/zinc/99/31/10/1060993110.db2.gz OHSIRBHNMLZKSC-GOSISDBHSA-N 0 3 492.466 2.843 20 30 JFEDHN C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286814929 1061012962 /nfs/dbraw/zinc/01/29/62/1061012962.db2.gz IGUWNMCTTRXPEN-UHFFFAOYSA-N 0 3 494.061 2.748 20 30 JFEDHN C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286833727 1061084427 /nfs/dbraw/zinc/08/44/27/1061084427.db2.gz MXYLYJTUYFSVOB-NRFANRHFSA-N 0 3 472.634 2.670 20 30 JFEDHN CCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294217474 1061728907 /nfs/dbraw/zinc/72/89/07/1061728907.db2.gz IZTDUZBSLSYKBJ-QHCPKHFHSA-N 0 3 456.616 2.564 20 30 JFEDHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)C1CCCC1 ZINC001286977208 1061789803 /nfs/dbraw/zinc/78/98/03/1061789803.db2.gz HDAPUAJGCURNDZ-QZTJIDSGSA-N 0 3 458.632 2.949 20 30 JFEDHN CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 ZINC001287006267 1061925900 /nfs/dbraw/zinc/92/59/00/1061925900.db2.gz CHQHGTAIDFJLKK-QFIPXVFZSA-N 0 3 452.603 2.965 20 30 JFEDHN CC(C)(C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001287006270 1061925975 /nfs/dbraw/zinc/92/59/75/1061925975.db2.gz CIHCBZQQGMJNMI-UHFFFAOYSA-N 0 3 472.597 2.702 20 30 JFEDHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001294656177 1062201047 /nfs/dbraw/zinc/20/10/47/1062201047.db2.gz FSBIPEWHDKMPKY-JOCHJYFZSA-N 0 3 470.643 2.810 20 30 JFEDHN CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001294659498 1062207962 /nfs/dbraw/zinc/20/79/62/1062207962.db2.gz WVKXTQNHVXEPDA-QFIPXVFZSA-N 0 3 470.643 2.810 20 30 JFEDHN CCCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294751794 1062341047 /nfs/dbraw/zinc/34/10/47/1062341047.db2.gz YIRICIFYAFSASX-FQEVSTJZSA-N 0 3 456.616 2.705 20 30 JFEDHN CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001287158725 1062552989 /nfs/dbraw/zinc/55/29/89/1062552989.db2.gz UXMHTEZQOUKZSD-NHCUHLMSSA-N 0 3 456.616 2.560 20 30 JFEDHN CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295162032 1062986135 /nfs/dbraw/zinc/98/61/35/1062986135.db2.gz MWXKYNXNHIBDGP-DXIQSLLYSA-N 0 3 470.643 2.951 20 30 JFEDHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)(N(C)C)C1 ZINC001291068537 1063016323 /nfs/dbraw/zinc/01/63/23/1063016323.db2.gz PIRUJZWVFPEOTI-XQFWAAQXSA-N 0 3 462.664 2.821 20 30 JFEDHN CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1)c1ccco1 ZINC001295400221 1063386381 /nfs/dbraw/zinc/38/63/81/1063386381.db2.gz ZSBOZJODVKIMII-JOCHJYFZSA-N 0 3 491.596 2.788 20 30 JFEDHN CCN(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F ZINC001295831504 1063846686 /nfs/dbraw/zinc/84/66/86/1063846686.db2.gz YZUJFJIMTZOSDP-HXUWFJFHSA-N 0 3 492.485 2.637 20 30 JFEDHN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)CN1CCCC1 ZINC001295877147 1063917590 /nfs/dbraw/zinc/91/75/90/1063917590.db2.gz GJSURIPCNLLAEE-UHFFFAOYSA-N 0 3 458.632 2.810 20 30 JFEDHN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001291388732 1063937762 /nfs/dbraw/zinc/93/77/62/1063937762.db2.gz BRRCOKAIMMYOKH-QYXIYQDXSA-N 0 3 452.603 2.772 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296010859 1064069556 /nfs/dbraw/zinc/06/95/56/1064069556.db2.gz MRLHMBUYOZTTSJ-ZRCGQRJVSA-N 0 3 479.629 2.906 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296012428 1064072599 /nfs/dbraw/zinc/07/25/99/1064072599.db2.gz STACESSPSHKDIY-MOPGFXCFSA-N 0 3 467.618 2.810 20 30 JFEDHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001296079186 1064146551 /nfs/dbraw/zinc/14/65/51/1064146551.db2.gz CTGHUHOBQIMERI-YADHBBJMSA-N 0 3 465.602 2.740 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296125262 1064218741 /nfs/dbraw/zinc/21/87/41/1064218741.db2.gz LNRMPQCHGWIDCU-UNMCSNQZSA-N 0 3 451.619 2.706 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296125253 1064218765 /nfs/dbraw/zinc/21/87/65/1064218765.db2.gz LNRMPQCHGWIDCU-IFMALSPDSA-N 0 3 451.619 2.706 20 30 JFEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296127647 1064221986 /nfs/dbraw/zinc/22/19/86/1064221986.db2.gz WICJTGYHJCIBGG-WOJBJXKFSA-N 0 3 451.619 2.846 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001296134915 1064237483 /nfs/dbraw/zinc/23/74/83/1064237483.db2.gz SFSBOTZQTOLTGV-KPQWGBOZSA-N 0 3 469.609 2.939 20 30 JFEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296135489 1064240190 /nfs/dbraw/zinc/24/01/90/1064240190.db2.gz ZGLGXLOAMNCRBN-SFTDATJTSA-N 0 3 451.619 2.991 20 30 JFEDHN CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001292276787 1065053339 /nfs/dbraw/zinc/05/33/39/1065053339.db2.gz UPEOMFASFWMBQB-HYBUGGRVSA-N 0 3 493.656 2.747 20 30 JFEDHN CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCN1CCN(CC)CC1 ZINC001292991908 1065680090 /nfs/dbraw/zinc/68/00/90/1065680090.db2.gz ZRJOTLHRYWRWNA-UHFFFAOYSA-N 0 3 451.619 2.788 20 30 JFEDHN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1F ZINC001164738954 720706274 /nfs/dbraw/zinc/70/62/74/720706274.db2.gz LPXUJVUPUYLEKX-CVEARBPZSA-N 0 3 451.893 2.940 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164742106 720819305 /nfs/dbraw/zinc/81/93/05/720819305.db2.gz PWGLSMMMTAJYHT-BFYDXBDKSA-N 0 3 463.011 2.631 20 30 JFEDHN CSc1nc(Cl)c(C=N[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742106 720819307 /nfs/dbraw/zinc/81/93/07/720819307.db2.gz PWGLSMMMTAJYHT-BFYDXBDKSA-N 0 3 463.011 2.631 20 30 JFEDHN C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286302202 1060054018 /nfs/dbraw/zinc/05/40/18/1060054018.db2.gz RMZXGQVLYJMMLN-RXVVDRJESA-N 0 3 473.021 2.911 20 30 JFEDHN C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001286308948 1060062595 /nfs/dbraw/zinc/06/25/95/1060062595.db2.gz MUMMIIXVMNLYSR-UHFFFAOYSA-N 0 3 465.646 2.658 20 30 JFEDHN C#CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001286314836 1060075882 /nfs/dbraw/zinc/07/58/82/1060075882.db2.gz HQMIPEMYHZTHPW-KRWDZBQOSA-N 0 3 461.408 2.998 20 30 JFEDHN C#CCCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286333605 1060087001 /nfs/dbraw/zinc/08/70/01/1060087001.db2.gz AJGFWBKTSQBHQU-UHFFFAOYSA-N 0 3 468.577 2.544 20 30 JFEDHN C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286342475 1060098073 /nfs/dbraw/zinc/09/80/73/1060098073.db2.gz QUTWQKGBAXRLPE-XUZZJYLKSA-N 0 3 494.640 2.973 20 30 JFEDHN C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286342476 1060098409 /nfs/dbraw/zinc/09/84/09/1060098409.db2.gz QUTWQKGBAXRLPE-ZJSXRUAMSA-N 0 3 494.640 2.973 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382036 1060153167 /nfs/dbraw/zinc/15/31/67/1060153167.db2.gz IRPDZHLJTZXOMM-RZUBCFFCSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382375 1060154021 /nfs/dbraw/zinc/15/40/21/1060154021.db2.gz IZDDZPHMLICOLB-IFMALSPDSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC(F)F)c2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286383416 1060161766 /nfs/dbraw/zinc/16/17/66/1060161766.db2.gz MMDNRFNQVOMLLK-SFHVURJKSA-N 0 3 481.569 2.513 20 30 JFEDHN C#CCN(c1nnc(-c2c[nH]c3ccccc23)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286390092 1060222924 /nfs/dbraw/zinc/22/29/24/1060222924.db2.gz WSOFWGGKGXRQAC-IBGZPJMESA-N 0 3 468.627 2.783 20 30 JFEDHN C#CCN(c1nnc(Cc2c[nH]c3ccccc23)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286390679 1060226817 /nfs/dbraw/zinc/22/68/17/1060226817.db2.gz DRQDKEAWVAVXSE-PZJWPPBQSA-N 0 3 482.654 2.707 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286393891 1060244596 /nfs/dbraw/zinc/24/45/96/1060244596.db2.gz LIYQWUDWOUYBGV-NQIIRXRSSA-N 0 3 478.062 2.879 20 30 JFEDHN C#CCN(c1nnc(Cc2csc(C)n2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286393645 1060245618 /nfs/dbraw/zinc/24/56/18/1060245618.db2.gz RGFSVZZSUPEIOE-NQIIRXRSSA-N 0 3 490.699 2.525 20 30 JFEDHN C#CCN(c1nnc(Cc2ccsc2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286394188 1060249029 /nfs/dbraw/zinc/24/90/29/1060249029.db2.gz VECYESAMVNVAGP-FPOVZHCZSA-N 0 3 475.684 2.822 20 30 JFEDHN C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286396440 1060262325 /nfs/dbraw/zinc/26/23/25/1060262325.db2.gz PTRQCUGARROEKH-FCHUYYIVSA-N 0 3 485.654 2.524 20 30 JFEDHN C#CCN(c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397997 1060271191 /nfs/dbraw/zinc/27/11/91/1060271191.db2.gz VTUUCPXQFFOYHG-VXKWHMMOSA-N 0 3 485.654 2.524 20 30 JFEDHN C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286399015 1060277917 /nfs/dbraw/zinc/27/79/17/1060277917.db2.gz WNHJADVKPONWSK-AKIFATBCSA-N 0 3 485.654 2.667 20 30 JFEDHN C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286399016 1060278390 /nfs/dbraw/zinc/27/83/90/1060278390.db2.gz WNHJADVKPONWSK-MDNUFGMLSA-N 0 3 485.654 2.667 20 30 JFEDHN C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001286419361 1060307351 /nfs/dbraw/zinc/30/73/51/1060307351.db2.gz UHBYAGWWPHNPRT-OAQYLSRUSA-N 0 3 455.566 2.909 20 30 JFEDHN C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001286428400 1060318867 /nfs/dbraw/zinc/31/88/67/1060318867.db2.gz MRISTXPWEFNEIY-JOCHJYFZSA-N 0 3 450.606 2.745 20 30 JFEDHN C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCN1CCN(CC)CC1 ZINC001286444828 1060332744 /nfs/dbraw/zinc/33/27/44/1060332744.db2.gz BXTGAGQDZJTVNF-QFIPXVFZSA-N 0 3 487.693 2.880 20 30 JFEDHN C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001286450747 1060335606 /nfs/dbraw/zinc/33/56/06/1060335606.db2.gz XRTKBPSQYONVOL-UHFFFAOYSA-N 0 3 492.649 2.734 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286473674 1060376714 /nfs/dbraw/zinc/37/67/14/1060376714.db2.gz QKNLFRDJZVGJLI-PMACEKPBSA-N 0 3 488.583 2.801 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](CC)N2CCc3ccccc3C2)CC1 ZINC001286492797 1060498689 /nfs/dbraw/zinc/49/86/89/1060498689.db2.gz PXTVTEFTXOWVFC-DEOSSOPVSA-N 0 3 478.641 2.617 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286493592 1060503181 /nfs/dbraw/zinc/50/31/81/1060503181.db2.gz OCMJMQGLIGKMAF-BJKOFHAPSA-N 0 3 478.641 2.613 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001286495357 1060512205 /nfs/dbraw/zinc/51/22/05/1060512205.db2.gz ZIYWCMBPGXSYBK-GGAORHGYSA-N 0 3 482.604 2.580 20 30 JFEDHN C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286507673 1060536634 /nfs/dbraw/zinc/53/66/34/1060536634.db2.gz CLHSCXNFORVETN-NZQKXSOJSA-N 0 3 472.703 2.756 20 30 JFEDHN C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286507680 1060536946 /nfs/dbraw/zinc/53/69/46/1060536946.db2.gz CLHSCXNFORVETN-REWPJTCUSA-N 0 3 472.703 2.756 20 30 JFEDHN C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286533590 1060570192 /nfs/dbraw/zinc/57/01/92/1060570192.db2.gz YFBWQOIRJUOQLZ-GOSISDBHSA-N 0 3 477.382 2.736 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286547624 1060597432 /nfs/dbraw/zinc/59/74/32/1060597432.db2.gz PGXBGIAEBMTSFE-ADHNFCLRSA-N 0 3 458.651 2.762 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286604250 1060708206 /nfs/dbraw/zinc/70/82/06/1060708206.db2.gz HKFSJVQOGAWAOF-BWKNWUBXSA-N 0 3 496.656 2.925 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286604255 1060708939 /nfs/dbraw/zinc/70/89/39/1060708939.db2.gz QNPGCIWBNCZLBI-BWKNWUBXSA-N 0 3 491.640 2.788 20 30 JFEDHN C=C(Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618992 1060734303 /nfs/dbraw/zinc/73/43/03/1060734303.db2.gz LAUYKKPFKRUBNQ-QPPBQGQZSA-N 0 3 466.630 2.907 20 30 JFEDHN C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286626441 1060744689 /nfs/dbraw/zinc/74/46/89/1060744689.db2.gz WNTHKUFWJIPCQM-SFHVURJKSA-N 0 3 461.010 2.931 20 30 JFEDHN C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286634420 1060755302 /nfs/dbraw/zinc/75/53/02/1060755302.db2.gz UCYHDKNREBUIMY-UHFFFAOYSA-N 0 3 458.994 2.662 20 30 JFEDHN C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC001286637828 1060758299 /nfs/dbraw/zinc/75/82/99/1060758299.db2.gz NNAHTNOKPQDUCR-SIKLNZKXSA-N 0 3 488.658 2.890 20 30 JFEDHN C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001286674910 1060788976 /nfs/dbraw/zinc/78/89/76/1060788976.db2.gz KAZUTQFWJAIYCM-LJQANCHMSA-N 0 3 499.685 2.615 20 30 JFEDHN C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286710769 1060829562 /nfs/dbraw/zinc/82/95/62/1060829562.db2.gz CWOBSBPKHNFKJV-HYBUGGRVSA-N 0 3 481.645 2.620 20 30 JFEDHN C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001286711722 1060832717 /nfs/dbraw/zinc/83/27/17/1060832717.db2.gz RWBTVEFAQHRHON-QFIPXVFZSA-N 0 3 453.635 2.846 20 30 JFEDHN C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001286756733 1060883255 /nfs/dbraw/zinc/88/32/55/1060883255.db2.gz UBSSDODCBCAIRC-UHFFFAOYSA-N 0 3 490.656 2.879 20 30 JFEDHN C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794640 1060969131 /nfs/dbraw/zinc/96/91/31/1060969131.db2.gz MYBZPKQXHJKOTC-NTKDMRAZSA-N 0 3 452.603 2.579 20 30 JFEDHN C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCCCC2)C1 ZINC001286822600 1061057771 /nfs/dbraw/zinc/05/77/71/1061057771.db2.gz LGFIWRUQAAHWMW-LJQANCHMSA-N 0 3 478.688 2.547 20 30 JFEDHN C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286828426 1061076094 /nfs/dbraw/zinc/07/60/94/1061076094.db2.gz MSGBKFFREZVCEI-SIKLNZKXSA-N 0 3 469.659 2.638 20 30 JFEDHN C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286830824 1061078743 /nfs/dbraw/zinc/07/87/43/1061078743.db2.gz VKHJSZNOSXAMAO-DENIHFKCSA-N 0 3 469.659 2.638 20 30 JFEDHN CCCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294700432 1062265667 /nfs/dbraw/zinc/26/56/67/1062265667.db2.gz SOVRLLWHJWEEJK-RTWAWAEBSA-N 0 3 456.616 2.705 20 30 JFEDHN CCCNC(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001294850312 1062550491 /nfs/dbraw/zinc/55/04/91/1062550491.db2.gz PNDBQEMJWPGMBC-UHFFFAOYSA-N 0 3 472.597 2.840 20 30 JFEDHN CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001287158767 1062553611 /nfs/dbraw/zinc/55/36/11/1062553611.db2.gz VVETUNPOYUVAIZ-YADHBBJMSA-N 0 3 470.643 2.951 20 30 JFEDHN N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)CC2)c(F)c1 ZINC001295148238 1062969137 /nfs/dbraw/zinc/96/91/37/1062969137.db2.gz YFHAOBWCDINGLW-ISKFKSNPSA-N 0 3 450.558 2.913 20 30 JFEDHN CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295250623 1063069451 /nfs/dbraw/zinc/06/94/51/1063069451.db2.gz RIPFLDZQBAFTRU-OAQYLSRUSA-N 0 3 486.642 2.617 20 30 JFEDHN CCN(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295397634 1063384402 /nfs/dbraw/zinc/38/44/02/1063384402.db2.gz PMLMJSKSAYKLFV-OAQYLSRUSA-N 0 3 476.585 2.954 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001295482308 1063499773 /nfs/dbraw/zinc/49/97/73/1063499773.db2.gz JJKIIQJHDXSQJB-GOTSBHOMSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001295482309 1063499862 /nfs/dbraw/zinc/49/98/62/1063499862.db2.gz JJKIIQJHDXSQJB-PKTZIBPZSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CC1 ZINC001295482370 1063500413 /nfs/dbraw/zinc/50/04/13/1063500413.db2.gz LUHMESXMNLCAOX-FQEVSTJZSA-N 0 3 467.643 2.560 20 30 JFEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)CCC(F)(F)F ZINC001295834481 1063850791 /nfs/dbraw/zinc/85/07/91/1063850791.db2.gz VMJLWBRNXHPVIM-UHFFFAOYSA-N 0 3 463.508 2.793 20 30 JFEDHN CC[C@@H](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)OC ZINC001291413787 1063990014 /nfs/dbraw/zinc/99/00/14/1063990014.db2.gz PQHOLKWFCUMFBC-OFNKIYASSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296012432 1064073106 /nfs/dbraw/zinc/07/31/06/1064073106.db2.gz STACESSPSHKDIY-OALUTQOASA-N 0 3 467.618 2.810 20 30 JFEDHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296012435 1064073138 /nfs/dbraw/zinc/07/31/38/1064073138.db2.gz STACESSPSHKDIY-RBUKOAKNSA-N 0 3 467.618 2.810 20 30 JFEDHN CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001291605276 1064140665 /nfs/dbraw/zinc/14/06/65/1064140665.db2.gz ICOOBWHLUAMGKT-VXKWHMMOSA-N 0 3 479.677 2.658 20 30 JFEDHN CC[C@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001291610884 1064148668 /nfs/dbraw/zinc/14/86/68/1064148668.db2.gz RHGBTWPHNOLMJS-URXFXBBRSA-N 0 3 492.672 2.933 20 30 JFEDHN CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001292032676 1064690578 /nfs/dbraw/zinc/69/05/78/1064690578.db2.gz FUXOENGZMDUDAV-UHFFFAOYSA-N 0 3 459.639 2.826 20 30 JFEDHN CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CCN1CCOC ZINC001294069904 1066540472 /nfs/dbraw/zinc/54/04/72/1066540472.db2.gz ZQTDIJWHQILJRB-RDGATRHJSA-N 0 3 468.602 2.559 20 30 JFEDHN C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001286314891 1060076450 /nfs/dbraw/zinc/07/64/50/1060076450.db2.gz IEVPIMQKZPTNQV-WOJBJXKFSA-N 0 3 472.659 2.918 20 30 JFEDHN C#CCCCCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286334190 1060087487 /nfs/dbraw/zinc/08/74/87/1060087487.db2.gz FWOSNRAVOAKXLD-OZXSUGGESA-N 0 3 472.678 2.727 20 30 JFEDHN C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](c1cccs1)N(C)C ZINC001286363363 1060124910 /nfs/dbraw/zinc/12/49/10/1060124910.db2.gz ROYCEFUATGQUSV-KRWDZBQOSA-N 0 3 471.656 2.980 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383256 1060160912 /nfs/dbraw/zinc/16/09/12/1060160912.db2.gz LXQMEEJZOFOGEL-IFMALSPDSA-N 0 3 485.654 2.845 20 30 JFEDHN C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387217 1060198682 /nfs/dbraw/zinc/19/86/82/1060198682.db2.gz BLWSVGPVCJAOKT-GMAHTHKFSA-N 0 3 485.654 2.701 20 30 JFEDHN C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388723 1060214190 /nfs/dbraw/zinc/21/41/90/1060214190.db2.gz BBQDPFZKXXULGQ-IRLDBZIGSA-N 0 3 472.659 2.642 20 30 JFEDHN C#CCN(c1nnc(Cc2ccccc2F)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286393027 1060241239 /nfs/dbraw/zinc/24/12/39/1060241239.db2.gz IYIKKNBCZHIJFN-NRFANRHFSA-N 0 3 475.634 2.754 20 30 JFEDHN C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393904 1060246686 /nfs/dbraw/zinc/24/66/86/1060246686.db2.gz LQWAJJUYZMPIHR-DHIUTWEWSA-N 0 3 487.645 2.755 20 30 JFEDHN C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286408533 1060291675 /nfs/dbraw/zinc/29/16/75/1060291675.db2.gz GSLZUZICRRDMOM-QFIPXVFZSA-N 0 3 467.017 2.538 20 30 JFEDHN C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286428331 1060318173 /nfs/dbraw/zinc/31/81/73/1060318173.db2.gz RSZMHJRFAAJHOG-QHCPKHFHSA-N 0 3 482.579 2.553 20 30 JFEDHN C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001286438555 1060329784 /nfs/dbraw/zinc/32/97/84/1060329784.db2.gz FJFQODOXFXCPNU-QHCPKHFHSA-N 0 3 470.625 2.620 20 30 JFEDHN C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001286451784 1060335991 /nfs/dbraw/zinc/33/59/91/1060335991.db2.gz AUFRHSYVRBTHKL-QHAWAJNXSA-N 0 3 458.651 2.599 20 30 JFEDHN C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001286457700 1060339246 /nfs/dbraw/zinc/33/92/46/1060339246.db2.gz CMOWHJSOMVOILC-JTHBVZDNSA-N 0 3 482.604 2.504 20 30 JFEDHN C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(N(C)C)CCSC1 ZINC001286460757 1060346162 /nfs/dbraw/zinc/34/61/62/1060346162.db2.gz JGPUSJSIWRPGQT-DEOSSOPVSA-N 0 3 470.643 2.671 20 30 JFEDHN C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(CC)CCC(F)(F)F)CC1 ZINC001286475731 1060391077 /nfs/dbraw/zinc/39/10/77/1060391077.db2.gz HNHDPMGVMGIICZ-UHFFFAOYSA-N 0 3 478.519 2.703 20 30 JFEDHN C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286484203 1060415417 /nfs/dbraw/zinc/41/54/17/1060415417.db2.gz GEXORELCLCWGPP-VWLOTQADSA-N 0 3 474.657 2.760 20 30 JFEDHN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CC1 ZINC001286494512 1060508128 /nfs/dbraw/zinc/50/81/28/1060508128.db2.gz MWWPMGPHULYNSJ-DNQXCXABSA-N 0 3 478.641 2.961 20 30 JFEDHN C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001286499048 1060520700 /nfs/dbraw/zinc/52/07/00/1060520700.db2.gz IDZRUPIIFVGXPA-UHFFFAOYSA-N 0 3 474.638 2.980 20 30 JFEDHN C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001286504619 1060530563 /nfs/dbraw/zinc/53/05/63/1060530563.db2.gz OOCIVPKTQWHJEZ-RTBURBONSA-N 0 3 479.654 2.960 20 30 JFEDHN C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001286505080 1060531612 /nfs/dbraw/zinc/53/16/12/1060531612.db2.gz WNGLOUHOQKFVBD-UHFFFAOYSA-N 0 3 455.628 2.869 20 30 JFEDHN C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001286524022 1060558575 /nfs/dbraw/zinc/55/85/75/1060558575.db2.gz GMFAGKHMSYEFSW-QFQXNSOFSA-N 0 3 450.631 2.896 20 30 JFEDHN C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001286548113 1060600113 /nfs/dbraw/zinc/60/01/13/1060600113.db2.gz LWFKPBJQDRNKOE-UFYCRDLUSA-N 0 3 497.482 2.515 20 30 JFEDHN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001286565911 1060653833 /nfs/dbraw/zinc/65/38/33/1060653833.db2.gz QJPPWRKJTJRXPS-OFNKIYASSA-N 0 3 458.651 2.940 20 30 JFEDHN C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001286588363 1060683712 /nfs/dbraw/zinc/68/37/12/1060683712.db2.gz RJKGUQFQFGGKFE-UHFFFAOYSA-N 0 3 457.575 2.848 20 30 JFEDHN C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001286604149 1060707756 /nfs/dbraw/zinc/70/77/56/1060707756.db2.gz GMOWKRSACLPOCQ-PMACEKPBSA-N 0 3 490.674 2.707 20 30 JFEDHN C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001286607504 1060717290 /nfs/dbraw/zinc/71/72/90/1060717290.db2.gz QNKNZCOGJDLPJJ-OALUTQOASA-N 0 3 475.663 2.750 20 30 JFEDHN C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001286626442 1060744642 /nfs/dbraw/zinc/74/46/42/1060744642.db2.gz WOHGMXGJJJFAPU-IBGZPJMESA-N 0 3 461.010 2.931 20 30 JFEDHN C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001286627381 1060746945 /nfs/dbraw/zinc/74/69/45/1060746945.db2.gz ZYADXQLWHUYEQO-IERDGZPVSA-N 0 3 458.010 2.780 20 30 JFEDHN C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC001286637829 1060758336 /nfs/dbraw/zinc/75/83/36/1060758336.db2.gz NNAHTNOKPQDUCR-UGKGYDQZSA-N 0 3 488.658 2.890 20 30 JFEDHN C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001286704363 1060817731 /nfs/dbraw/zinc/81/77/31/1060817731.db2.gz RSOICOBQSXNXPZ-QFIPXVFZSA-N 0 3 452.603 2.875 20 30 JFEDHN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001286770582 1060903629 /nfs/dbraw/zinc/90/36/29/1060903629.db2.gz PMVJVLBKUJRWJN-UHFFFAOYSA-N 0 3 459.392 2.638 20 30 JFEDHN C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001286774950 1060911240 /nfs/dbraw/zinc/91/12/40/1060911240.db2.gz RUXMCBFMLXUITH-UHFFFAOYSA-N 0 3 489.665 2.569 20 30 JFEDHN C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001286778909 1060917046 /nfs/dbraw/zinc/91/70/46/1060917046.db2.gz FPLLFBMDGAVZLK-HSZRJFAPSA-N 0 3 466.630 2.671 20 30 JFEDHN C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001286783839 1060935329 /nfs/dbraw/zinc/93/53/29/1060935329.db2.gz NGRGLGPVUZZECI-RTBURBONSA-N 0 3 470.618 2.962 20 30 JFEDHN C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001286792540 1060961681 /nfs/dbraw/zinc/96/16/81/1060961681.db2.gz AYKQTWTWHPMYRU-UHFFFAOYSA-N 0 3 470.593 2.999 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)C1 ZINC001286798791 1060980460 /nfs/dbraw/zinc/98/04/60/1060980460.db2.gz OKIIJSDPFUEISV-RTBURBONSA-N 0 3 453.591 2.827 20 30 JFEDHN C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001286803831 1060990713 /nfs/dbraw/zinc/99/07/13/1060990713.db2.gz KDXUKNFTAISOSH-REWPJTCUSA-N 0 3 454.619 2.761 20 30 JFEDHN C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001286808739 1060998353 /nfs/dbraw/zinc/99/83/53/1060998353.db2.gz NGTFUEPSVLJJRM-FSSWDIPSSA-N 0 3 452.603 2.876 20 30 JFEDHN CC(=O)Nc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)cn1 ZINC001286893264 1061368637 /nfs/dbraw/zinc/36/86/37/1061368637.db2.gz AUFZNHUGHBKCBU-UHFFFAOYSA-N 0 3 458.570 2.996 20 30 JFEDHN CC(C)OCCN1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC001294501963 1062037365 /nfs/dbraw/zinc/03/73/65/1062037365.db2.gz CYCTZHKQTGDKAK-UHFFFAOYSA-N 0 3 454.531 2.991 20 30 JFEDHN CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)N1CCOCC1 ZINC001287159383 1062555666 /nfs/dbraw/zinc/55/56/66/1062555666.db2.gz ZQCJOBOAOLUBQG-XMMPIXPASA-N 0 3 495.672 2.721 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295482240 1063497969 /nfs/dbraw/zinc/49/79/69/1063497969.db2.gz GOIXYPJFNACBTA-QFIPXVFZSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295482239 1063497997 /nfs/dbraw/zinc/49/79/97/1063497997.db2.gz GOIXYPJFNACBTA-JOCHJYFZSA-N 0 3 479.629 2.622 20 30 JFEDHN CCN(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001295831503 1063846356 /nfs/dbraw/zinc/84/63/56/1063846356.db2.gz YZUJFJIMTZOSDP-FQEVSTJZSA-N 0 3 492.485 2.637 20 30 JFEDHN CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001291356947 1063862778 /nfs/dbraw/zinc/86/27/78/1063862778.db2.gz RTQJRZHHFAKDEX-UHFFFAOYSA-N 0 3 479.629 2.909 20 30 JFEDHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC[C@@H]1C ZINC001295876399 1063914783 /nfs/dbraw/zinc/91/47/83/1063914783.db2.gz ANGLCWQUPSAPIY-IBGZPJMESA-N 0 3 458.632 2.952 20 30 JFEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001296014034 1064075682 /nfs/dbraw/zinc/07/56/82/1064075682.db2.gz XPFKSYLXRIISBD-STSQHVNTSA-N 0 3 456.616 2.516 20 30 JFEDHN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001291610886 1064148758 /nfs/dbraw/zinc/14/87/58/1064148758.db2.gz RHGBTWPHNOLMJS-ZJSXRUAMSA-N 0 3 492.672 2.933 20 30 JFEDHN CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291785421 1064281003 /nfs/dbraw/zinc/28/10/03/1064281003.db2.gz VNXZRXIIVSXHAI-UGKGYDQZSA-N 0 3 488.658 2.863 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191136 1064341291 /nfs/dbraw/zinc/34/12/91/1064341291.db2.gz HFBPWHYSNSMEBH-REWPJTCUSA-N 0 3 451.619 2.564 20 30 JFEDHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296196611 1064368682 /nfs/dbraw/zinc/36/86/82/1064368682.db2.gz YKISYYVESJTDMT-CYFREDJKSA-N 0 3 457.573 2.724 20 30 JFEDHN CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CCN1CCOC ZINC001293561042 1066075085 /nfs/dbraw/zinc/07/50/85/1066075085.db2.gz NFINNDIDAWTXPR-QHCPKHFHSA-N 0 3 462.602 2.959 20 30 JFEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CCN1CCOC ZINC001294066990 1066537400 /nfs/dbraw/zinc/53/74/00/1066537400.db2.gz LMCYITHXFIWEQB-XMMPIXPASA-N 0 3 489.624 2.809 20 30 JFEDHN