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RAVKIQPFUTTYRY-GHMZBOCLSA-N 0 3 404.518 -1.843 20 0 HAADHN CNc1nc(N[C@H]2CCCS(=O)(=O)C2)nc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000446862513 1071171292 /nfs/dbraw/zinc/17/12/92/1071171292.db2.gz RAVKIQPFUTTYRY-QWRGUYRKSA-N 0 3 404.518 -1.843 20 0 HAADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H](O)CN2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000447304159 1071176315 /nfs/dbraw/zinc/17/63/15/1071176315.db2.gz UVNZXNKPQUDLKO-QKDCVEJESA-N 0 3 412.578 -1.626 20 0 HAADHN CNS(=O)(=O)C[C@H]1CCCN1C[C@H](O)CN1CCC[C@H]1CS(=O)(=O)NC ZINC000447311686 1071176168 /nfs/dbraw/zinc/17/61/68/1071176168.db2.gz CLGICIRJAIGECB-FICVDOATSA-N 0 3 412.578 -1.626 20 0 HAADHN CNS(=O)(=O)C[C@@H]1CCCN1CC(O)CN1CCC[C@H]1CS(=O)(=O)NC ZINC000447311687 1071176410 /nfs/dbraw/zinc/17/64/10/1071176410.db2.gz CLGICIRJAIGECB-KBPBESRZSA-N 0 3 412.578 -1.626 20 0 HAADHN CNS(=O)(=O)C[C@H]1CCCN1CC(O)CN1CCC[C@@H]1CS(=O)(=O)NC ZINC000447311688 1071176356 /nfs/dbraw/zinc/17/63/56/1071176356.db2.gz CLGICIRJAIGECB-ZIAGYGMSSA-N 0 3 412.578 -1.626 20 0 HAADHN COCCNc1nc(N[C@@H]2CCCN(C)C2=O)nc(N[C@H]2CCCN(C)C2=O)n1 ZINC000448123568 1071186743 /nfs/dbraw/zinc/18/67/43/1071186743.db2.gz DVYVCXKBCUDKJT-BETUJISGSA-N 0 3 406.491 -1.739 20 0 HAADHN COCCNc1nc(N[C@@H]2CCN(C(C)=O)C2)nc(N[C@H]2CCN(C(C)=O)C2)n1 ZINC000448128017 1071186615 /nfs/dbraw/zinc/18/66/15/1071186615.db2.gz KNCLMRWKDIFWCD-GASCZTMLSA-N 0 3 406.491 -1.739 20 0 HAADHN COCCNc1nc(N[C@@H]2CCC(=O)N(C)C2)nc(N[C@H]2CCC(=O)N(C)C2)n1 ZINC000448132648 1071186720 /nfs/dbraw/zinc/18/67/20/1071186720.db2.gz OBKCHAVOSXRYQX-BETUJISGSA-N 0 3 406.491 -1.739 20 0 HAADHN CNc1nc(N2CCS(=O)(=O)[C@H](C)C2)nc(N2CCS(=O)(=O)[C@H](C)C2)n1 ZINC000462710748 1071437712 /nfs/dbraw/zinc/43/77/12/1071437712.db2.gz YAPGRWDKRIVZAB-GHMZBOCLSA-N 0 3 404.518 -1.418 20 0 HAADHN CNc1nc(N2CCS(=O)(=O)[C@H](C)C2)nc(N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000462710750 1071437570 /nfs/dbraw/zinc/43/75/70/1071437570.db2.gz YAPGRWDKRIVZAB-PHIMTYICSA-N 0 3 404.518 -1.418 20 0 HAADHN CNc1nc(N2CCS(=O)(=O)[C@@H](C)C2)nc(N2CCS(=O)(=O)[C@@H](C)C2)n1 ZINC000462710752 1071437756 /nfs/dbraw/zinc/43/77/56/1071437756.db2.gz YAPGRWDKRIVZAB-QWRGUYRKSA-N 0 3 404.518 -1.418 20 0 HAADHN Cn1c2c(ccn2CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(=O)n(C)c1=O ZINC000465127831 1071461190 /nfs/dbraw/zinc/46/11/90/1071461190.db2.gz HBBLPZZQLQPSJA-UHFFFAOYSA-N 0 3 416.482 -1.195 20 0 HAADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000465321632 1071463740 /nfs/dbraw/zinc/46/37/40/1071463740.db2.gz AXNCSXQKKUCKAZ-UHFFFAOYSA-N 0 3 419.486 -1.324 20 0 HAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000465330108 1071463698 /nfs/dbraw/zinc/46/36/98/1071463698.db2.gz OGGUFKGGMLRKPC-UHFFFAOYSA-N 0 3 421.502 -1.078 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000466130059 1071598544 /nfs/dbraw/zinc/59/85/44/1071598544.db2.gz IALKMPMZMYUVMM-INIZCTEOSA-N 0 3 407.523 -1.200 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000466130066 1071598655 /nfs/dbraw/zinc/59/86/55/1071598655.db2.gz IALKMPMZMYUVMM-MRXNPFEDSA-N 0 3 407.523 -1.200 20 0 HAADHN C[C@@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)CN1CCN(C)CC1 ZINC000466139977 1071598717 /nfs/dbraw/zinc/59/87/17/1071598717.db2.gz LYWYWNVRDCDQJJ-INIZCTEOSA-N 0 3 422.530 -1.127 20 0 HAADHN C[C@H](CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)CN1CCN(C)CC1 ZINC000466139981 1071598582 /nfs/dbraw/zinc/59/85/82/1071598582.db2.gz LYWYWNVRDCDQJJ-MRXNPFEDSA-N 0 3 422.530 -1.127 20 0 HAADHN C[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)CN1CCN(C)CC1 ZINC000466152889 1071599146 /nfs/dbraw/zinc/59/91/46/1071599146.db2.gz ZLJVPUXGZYYNTA-KRWDZBQOSA-N 0 3 424.546 -1.418 20 0 HAADHN C[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)CN1CCN(C)CC1 ZINC000466152893 1071599239 /nfs/dbraw/zinc/59/92/39/1071599239.db2.gz ZLJVPUXGZYYNTA-QGZVFWFLSA-N 0 3 424.546 -1.418 20 0 HAADHN COCCN1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466807409 1071906852 /nfs/dbraw/zinc/90/68/52/1071906852.db2.gz YUIKUZYNOLXPOO-UHFFFAOYSA-N 0 3 409.491 -1.231 20 0 HAADHN COCCN1CCC[C@H]1CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467007001 1071912745 /nfs/dbraw/zinc/91/27/45/1071912745.db2.gz MRXZKEWYOUSCGR-AWEZNQCLSA-N 0 3 409.491 -1.231 20 0 HAADHN COCCN1CCC[C@@H]1CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467007002 1071912898 /nfs/dbraw/zinc/91/28/98/1071912898.db2.gz MRXZKEWYOUSCGR-CQSZACIVSA-N 0 3 409.491 -1.231 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)CCCN1CCN(C)CC1 ZINC000467541182 1071918653 /nfs/dbraw/zinc/91/86/53/1071918653.db2.gz SRQFSGPXAWLHRY-UHFFFAOYSA-N 0 3 405.565 -1.084 20 0 HAADHN CNc1nc(NCCC(=O)N2CCOCC2)nc(NCCC(=O)N2CCOCC2)n1 ZINC000467747847 1071919930 /nfs/dbraw/zinc/91/99/30/1071919930.db2.gz VJKBDVKLBYNUQS-UHFFFAOYSA-N 0 3 422.490 -2.499 20 0 HAADHN CNc1nc(NC[C@@H]2CN(C3CC3)CCO2)nc(NC[C@H]2CN(C3CC3)CCO2)n1 ZINC000467780113 1071920557 /nfs/dbraw/zinc/92/05/57/1071920557.db2.gz LCMHQLXRTVYMRN-CALCHBBNSA-N 0 3 418.546 -1.271 20 0 HAADHN CNc1nc(NC[C@@H]2CN(C3CC3)CCO2)nc(NC[C@@H]2CN(C3CC3)CCO2)n1 ZINC000467780114 1071920433 /nfs/dbraw/zinc/92/04/33/1071920433.db2.gz LCMHQLXRTVYMRN-IAGOWNOFSA-N 0 3 418.546 -1.271 20 0 HAADHN CNc1nc(NC[C@H]2CN(C3CC3)CCO2)nc(NC[C@H]2CN(C3CC3)CCO2)n1 ZINC000467780115 1071920315 /nfs/dbraw/zinc/92/03/15/1071920315.db2.gz LCMHQLXRTVYMRN-IRXDYDNUSA-N 0 3 418.546 -1.271 20 0 HAADHN CNc1nc(N[C@@H]2CCc3nc(C)nn3C2)nc(N[C@H]2CCc3nc(C)nn3C2)n1 ZINC000467796971 1071920940 /nfs/dbraw/zinc/92/09/40/1071920940.db2.gz HXMJRUIEXYNGDL-BETUJISGSA-N 0 3 410.490 -1.167 20 0 HAADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1=O ZINC000468006105 1071922127 /nfs/dbraw/zinc/92/21/27/1071922127.db2.gz QECOFHFBUVXXPP-AWEZNQCLSA-N 0 3 407.471 -1.784 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1=O ZINC000468006106 1071922165 /nfs/dbraw/zinc/92/21/65/1071922165.db2.gz QECOFHFBUVXXPP-CQSZACIVSA-N 0 3 407.471 -1.784 20 0 HAADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000468175511 1071922563 /nfs/dbraw/zinc/92/25/63/1071922563.db2.gz VXMWETYIKVKBCS-KBPBESRZSA-N 0 3 402.517 -1.452 20 0 HAADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000468175512 1070846949 /nfs/dbraw/zinc/84/69/49/1070846949.db2.gz VXMWETYIKVKBCS-KGLIPLIRSA-N 0 3 402.517 -1.452 20 0 HAADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000468175513 1070847371 /nfs/dbraw/zinc/84/73/71/1070847371.db2.gz VXMWETYIKVKBCS-UONOGXRCSA-N 0 3 402.517 -1.452 20 0 HAADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000468175514 1070846834 /nfs/dbraw/zinc/84/68/34/1070846834.db2.gz VXMWETYIKVKBCS-ZIAGYGMSSA-N 0 3 402.517 -1.452 20 0 HAADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1=O ZINC000468275115 1071923638 /nfs/dbraw/zinc/92/36/38/1071923638.db2.gz VJMCSOGICYCKMY-HNNXBMFYSA-N 0 3 409.487 -2.074 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1=O ZINC000468275116 1071923683 /nfs/dbraw/zinc/92/36/83/1071923683.db2.gz VJMCSOGICYCKMY-OAHLLOKOSA-N 0 3 409.487 -2.074 20 0 HAADHN CC1CCN(CCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000468429422 1071630509 /nfs/dbraw/zinc/63/05/09/1071630509.db2.gz NDIABDZERUAEEZ-UHFFFAOYSA-N 0 3 406.487 -0.472 20 0 HAADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468433261 1071925917 /nfs/dbraw/zinc/92/59/17/1071925917.db2.gz URCMANNRNLZPNR-HNNXBMFYSA-N 0 3 406.487 -0.472 20 0 HAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000468433262 1071638822 /nfs/dbraw/zinc/63/88/22/1071638822.db2.gz URCMANNRNLZPNR-OAHLLOKOSA-N 0 3 406.487 -0.472 20 0 HAADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O ZINC000468606534 1071928086 /nfs/dbraw/zinc/92/80/86/1071928086.db2.gz HDLBOMFYKCSPSQ-HNNXBMFYSA-N 0 3 417.532 -1.882 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O ZINC000468606537 1071928073 /nfs/dbraw/zinc/92/80/73/1071928073.db2.gz HDLBOMFYKCSPSQ-OAHLLOKOSA-N 0 3 417.532 -1.882 20 0 HAADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468914692 1071932473 /nfs/dbraw/zinc/93/24/73/1071932473.db2.gz IBAQKJHXXTWLJB-DLBZAZTESA-N 0 3 409.531 -1.212 20 0 HAADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468914880 1071932362 /nfs/dbraw/zinc/93/23/62/1071932362.db2.gz IBAQKJHXXTWLJB-IAGOWNOFSA-N 0 3 409.531 -1.212 20 0 HAADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468914961 1071932614 /nfs/dbraw/zinc/93/26/14/1071932614.db2.gz IBAQKJHXXTWLJB-IRXDYDNUSA-N 0 3 409.531 -1.212 20 0 HAADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468915107 1071932594 /nfs/dbraw/zinc/93/25/94/1071932594.db2.gz IBAQKJHXXTWLJB-SJORKVTESA-N 0 3 409.531 -1.212 20 0 HAADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469034490 1071632857 /nfs/dbraw/zinc/63/28/57/1071632857.db2.gz NMXJQPCTXGSIMS-UHFFFAOYSA-N 0 3 410.475 -1.283 20 0 HAADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000469051206 1071933203 /nfs/dbraw/zinc/93/32/03/1071933203.db2.gz TVVUVVFGMQMVCR-GFCCVEGCSA-N 0 3 401.489 -1.039 20 0 HAADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000469051462 1071933067 /nfs/dbraw/zinc/93/30/67/1071933067.db2.gz TVVUVVFGMQMVCR-LBPRGKRZSA-N 0 3 401.489 -1.039 20 0 HAADHN CN(C)C(=O)CN1CCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000469058780 1071933227 /nfs/dbraw/zinc/93/32/27/1071933227.db2.gz SSJJPSGKCQZWEQ-UHFFFAOYSA-N 0 3 403.549 -1.425 20 0 HAADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCSC1 ZINC000469298543 1071935574 /nfs/dbraw/zinc/93/55/74/1071935574.db2.gz ZRSQAUYRIFQZHV-GOSISDBHSA-N 0 3 424.527 -0.766 20 0 HAADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCSC1 ZINC000469298575 1071935541 /nfs/dbraw/zinc/93/55/41/1071935541.db2.gz ZRSQAUYRIFQZHV-SFHVURJKSA-N 0 3 424.527 -0.766 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1=O ZINC000469300306 1071015307 /nfs/dbraw/zinc/01/53/07/1071015307.db2.gz UKRCENQRCUGDRG-ILXRZTDVSA-N 0 3 402.517 -1.990 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1=O ZINC000469300350 1071935387 /nfs/dbraw/zinc/93/53/87/1071935387.db2.gz UKRCENQRCUGDRG-KFWWJZLASA-N 0 3 402.517 -1.990 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1=O ZINC000469300355 1071935429 /nfs/dbraw/zinc/93/54/29/1071935429.db2.gz UKRCENQRCUGDRG-QLFBSQMISA-N 0 3 402.517 -1.990 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1=O ZINC000469300364 1071935319 /nfs/dbraw/zinc/93/53/19/1071935319.db2.gz UKRCENQRCUGDRG-RBSFLKMASA-N 0 3 402.517 -1.990 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000469504793 1071938275 /nfs/dbraw/zinc/93/82/75/1071938275.db2.gz KCVSYJQXHVGQIQ-HNNXBMFYSA-N 0 3 405.565 -1.180 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000469504794 1071938414 /nfs/dbraw/zinc/93/84/14/1071938414.db2.gz KCVSYJQXHVGQIQ-OAHLLOKOSA-N 0 3 405.565 -1.180 20 0 HAADHN CCN1CCN([C@@H](C)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469507211 1071053071 /nfs/dbraw/zinc/05/30/71/1071053071.db2.gz UAFFNWDCNNZKNQ-HNNXBMFYSA-N 0 3 405.565 -1.037 20 0 HAADHN CCN1CCN([C@H](C)CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000469507212 1071053094 /nfs/dbraw/zinc/05/30/94/1071053094.db2.gz UAFFNWDCNNZKNQ-OAHLLOKOSA-N 0 3 405.565 -1.037 20 0 HAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000469637210 1071939067 /nfs/dbraw/zinc/93/90/67/1071939067.db2.gz IINCEGAFHJSLHQ-GASCZTMLSA-N 0 3 424.502 -1.112 20 0 HAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000469637211 1071939598 /nfs/dbraw/zinc/93/95/98/1071939598.db2.gz IINCEGAFHJSLHQ-GJZGRUSLSA-N 0 3 424.502 -1.112 20 0 HAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000469637212 1071939576 /nfs/dbraw/zinc/93/95/76/1071939576.db2.gz IINCEGAFHJSLHQ-HUUCEWRRSA-N 0 3 424.502 -1.112 20 0 HAADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCN(CC3CCOCC3)CC2)c[nH]1 ZINC000469860958 1071939798 /nfs/dbraw/zinc/93/97/98/1071939798.db2.gz HYCVNGOOKVVGKS-UHFFFAOYSA-N 0 3 413.500 -1.037 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000469869220 1071940503 /nfs/dbraw/zinc/94/05/03/1071940503.db2.gz IRFACODOLNCHSQ-HNNXBMFYSA-N 0 3 403.549 -1.378 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000469869221 1071940378 /nfs/dbraw/zinc/94/03/78/1071940378.db2.gz IRFACODOLNCHSQ-OAHLLOKOSA-N 0 3 403.549 -1.378 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1=O ZINC000469895638 1071941029 /nfs/dbraw/zinc/94/10/29/1071941029.db2.gz FLVKHFOOQAZCBJ-CYBMUJFWSA-N 0 3 407.475 -2.115 20 0 HAADHN CN(C)CCN1C[C@@H](C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1=O ZINC000469895639 1071940950 /nfs/dbraw/zinc/94/09/50/1071940950.db2.gz FLVKHFOOQAZCBJ-ZDUSSCGKSA-N 0 3 407.475 -2.115 20 0 HAADHN CCN(CCO)CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000470198983 1071942632 /nfs/dbraw/zinc/94/26/32/1071942632.db2.gz BKBLAZHNCSNMCS-UHFFFAOYSA-N 0 3 407.537 -1.359 20 0 HAADHN CCN(CC)CC(=O)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000470372857 1071944554 /nfs/dbraw/zinc/94/45/54/1071944554.db2.gz GKCPFDVYDWGPPM-UHFFFAOYSA-N 0 3 403.549 -1.424 20 0 HAADHN CS(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000470389475 1071456196 /nfs/dbraw/zinc/45/61/96/1071456196.db2.gz VGUQQROLQKKERT-UHFFFAOYSA-N 0 3 401.533 -1.670 20 0 HAADHN Cn1c2ncn(CCN3CCC([C@@]4(C)NC(=O)NC4=O)CC3)c2c(=O)n(C)c1=O ZINC000471037275 1071948891 /nfs/dbraw/zinc/94/88/91/1071948891.db2.gz JEZLSXQQAKADRA-GOSISDBHSA-N 0 3 403.443 -1.256 20 0 HAADHN Cn1c2ncn(CCN3CCC([C@]4(C)NC(=O)NC4=O)CC3)c2c(=O)n(C)c1=O ZINC000471037276 1071948731 /nfs/dbraw/zinc/94/87/31/1071948731.db2.gz JEZLSXQQAKADRA-SFHVURJKSA-N 0 3 403.443 -1.256 20 0 HAADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000472116018 1070849859 /nfs/dbraw/zinc/84/98/59/1070849859.db2.gz UAHUUJGTCLGJQH-AWEZNQCLSA-N 0 3 405.503 -1.034 20 0 HAADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000472116019 1070849603 /nfs/dbraw/zinc/84/96/03/1070849603.db2.gz UAHUUJGTCLGJQH-CQSZACIVSA-N 0 3 405.503 -1.034 20 0 HAADHN CN(C)C(=O)CCN1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000473210416 1070929777 /nfs/dbraw/zinc/92/97/77/1070929777.db2.gz UKRFWGAJXPAJHN-UHFFFAOYSA-N 0 3 405.503 -1.080 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000474788842 1071128022 /nfs/dbraw/zinc/12/80/22/1071128022.db2.gz IEGVIVKSDWTCIF-HNNXBMFYSA-N 0 3 405.565 -1.037 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000474788849 1071127953 /nfs/dbraw/zinc/12/79/53/1071127953.db2.gz IEGVIVKSDWTCIF-OAHLLOKOSA-N 0 3 405.565 -1.037 20 0 HAADHN Cn1cnc2c1c(=O)n(CC(=O)NC(C)(C)CCN1CCN(C)CC1)c(=O)n2C ZINC000474809123 1071128899 /nfs/dbraw/zinc/12/88/99/1071128899.db2.gz NCYRKKZQTVOGGT-UHFFFAOYSA-N 0 3 405.503 -1.034 20 0 HAADHN CN1CCN(CCC(C)(C)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000474809179 1071128849 /nfs/dbraw/zinc/12/88/49/1071128849.db2.gz NVZUBMPNLSJKAK-UHFFFAOYSA-N 0 3 405.503 -1.034 20 0 HAADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475256612 1071140949 /nfs/dbraw/zinc/14/09/49/1071140949.db2.gz FKYNUOPPNQVXQN-UHFFFAOYSA-N 0 3 410.475 -1.283 20 0 HAADHN COc1ncc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1C(N)=O ZINC000475258529 1071140568 /nfs/dbraw/zinc/14/05/68/1071140568.db2.gz HEYSOAXBDRGPCP-UHFFFAOYSA-N 0 3 418.454 -1.106 20 0 HAADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000477187842 1071250759 /nfs/dbraw/zinc/25/07/59/1071250759.db2.gz NEONMMZEDDJXMR-INIZCTEOSA-N 0 3 411.503 -1.190 20 0 HAADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000477187847 1071250609 /nfs/dbraw/zinc/25/06/09/1071250609.db2.gz NEONMMZEDDJXMR-MRXNPFEDSA-N 0 3 411.503 -1.190 20 0 HAADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000477474590 1071255078 /nfs/dbraw/zinc/25/50/78/1071255078.db2.gz ISHWGVQASKZPJI-AWEZNQCLSA-N 0 3 410.562 -1.164 20 0 HAADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000477474591 1071255237 /nfs/dbraw/zinc/25/52/37/1071255237.db2.gz ISHWGVQASKZPJI-CQSZACIVSA-N 0 3 410.562 -1.164 20 0 HAADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000477529293 1071256735 /nfs/dbraw/zinc/25/67/35/1071256735.db2.gz VMJCBGCGMYVJOI-UHFFFAOYSA-N 0 3 410.562 -1.162 20 0 HAADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000477605401 1071257501 /nfs/dbraw/zinc/25/75/01/1071257501.db2.gz BXQFXUDTATZRMU-LLVKDONJSA-N 0 3 419.529 -1.038 20 0 HAADHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000477605402 1071257482 /nfs/dbraw/zinc/25/74/82/1071257482.db2.gz BXQFXUDTATZRMU-NSHDSACASA-N 0 3 419.529 -1.038 20 0 HAADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000477623484 1071258173 /nfs/dbraw/zinc/25/81/73/1071258173.db2.gz AEWWWIWHADANER-UHFFFAOYSA-N 0 3 409.531 -1.020 20 0 HAADHN COCCN1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000477623934 1071258292 /nfs/dbraw/zinc/25/82/92/1071258292.db2.gz CDIWHVWJJPYKHE-UHFFFAOYSA-N 0 3 409.487 -1.837 20 0 HAADHN COCCN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC000477649704 1071259136 /nfs/dbraw/zinc/25/91/36/1071259136.db2.gz DWXSGHOXIVBZQJ-UHFFFAOYSA-N 0 3 408.463 -2.429 20 0 HAADHN COCCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000477696457 1071258793 /nfs/dbraw/zinc/25/87/93/1071258793.db2.gz CJWZLVORGKCZRM-UHFFFAOYSA-N 0 3 422.573 -1.292 20 0 HAADHN COC(=O)C1CCN(CCCNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477715351 1071258862 /nfs/dbraw/zinc/25/88/62/1071258862.db2.gz GBFZEEOZBLUQOI-UHFFFAOYSA-N 0 3 404.533 -1.045 20 0 HAADHN COCCNC(=O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000479080795 1071294083 /nfs/dbraw/zinc/29/40/83/1071294083.db2.gz OFKVHBQDZCPONO-UHFFFAOYSA-N 0 3 407.427 -1.027 20 0 HAADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)CC1 ZINC000479300069 1071297305 /nfs/dbraw/zinc/29/73/05/1071297305.db2.gz AGSMNWMBCDKIHL-INIZCTEOSA-N 0 3 400.549 -1.987 20 0 HAADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000479300087 1071297924 /nfs/dbraw/zinc/29/79/24/1071297924.db2.gz AGSMNWMBCDKIHL-MRXNPFEDSA-N 0 3 400.549 -1.987 20 0 HAADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)o1 ZINC000480655969 1071315151 /nfs/dbraw/zinc/31/51/51/1071315151.db2.gz YLEPUNWSBVDDKD-CYBMUJFWSA-N 0 3 411.484 -1.399 20 0 HAADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)o1 ZINC000480655970 1071314935 /nfs/dbraw/zinc/31/49/35/1071314935.db2.gz YLEPUNWSBVDDKD-ZDUSSCGKSA-N 0 3 411.484 -1.399 20 0 HAADHN CNc1nc(NCC2(S(C)(=O)=O)CC2)nc(NCC2(S(C)(=O)=O)CC2)n1 ZINC000480688427 1071315050 /nfs/dbraw/zinc/31/50/50/1071315050.db2.gz HZDZGWJQUWJKJX-UHFFFAOYSA-N 0 3 404.518 -1.843 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480876434 1071316797 /nfs/dbraw/zinc/31/67/97/1071316797.db2.gz OBMKORLPMLHLLO-AWEZNQCLSA-N 0 3 423.561 -1.953 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480876438 1071316980 /nfs/dbraw/zinc/31/69/80/1071316980.db2.gz OBMKORLPMLHLLO-CQSZACIVSA-N 0 3 423.561 -1.953 20 0 HAADHN COC(=O)C1CCN(CCCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000481053495 1071318025 /nfs/dbraw/zinc/31/80/25/1071318025.db2.gz SYSCYDJJUIUINI-UHFFFAOYSA-N 0 3 420.470 -1.175 20 0 HAADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000481684050 1071325071 /nfs/dbraw/zinc/32/50/71/1071325071.db2.gz LYSBLMRIDKTNIK-BBWFWOEESA-N 0 3 415.560 -1.126 20 0 HAADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000481684051 1071324940 /nfs/dbraw/zinc/32/49/40/1071324940.db2.gz LYSBLMRIDKTNIK-BRWVUGGUSA-N 0 3 415.560 -1.126 20 0 HAADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)C[C@H](C)O1 ZINC000481684052 1071324987 /nfs/dbraw/zinc/32/49/87/1071324987.db2.gz LYSBLMRIDKTNIK-IXDOHACOSA-N 0 3 415.560 -1.126 20 0 HAADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)C[C@@H](C)O1 ZINC000481684053 1071325293 /nfs/dbraw/zinc/32/52/93/1071325293.db2.gz LYSBLMRIDKTNIK-ZACQAIPSSA-N 0 3 415.560 -1.126 20 0 HAADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000481807711 1071327794 /nfs/dbraw/zinc/32/77/94/1071327794.db2.gz PSILPQTZDLGVPF-CABCVRRESA-N 0 3 406.491 -1.420 20 0 HAADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000481807712 1071328516 /nfs/dbraw/zinc/32/85/16/1071328516.db2.gz PSILPQTZDLGVPF-GJZGRUSLSA-N 0 3 406.491 -1.420 20 0 HAADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000481807713 1071328383 /nfs/dbraw/zinc/32/83/83/1071328383.db2.gz PSILPQTZDLGVPF-HUUCEWRRSA-N 0 3 406.491 -1.420 20 0 HAADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000481807714 1071328003 /nfs/dbraw/zinc/32/80/03/1071328003.db2.gz PSILPQTZDLGVPF-LSDHHAIUSA-N 0 3 406.491 -1.420 20 0 HAADHN CNc1nc(NC[C@H]2CCCS2(=O)=O)nc(NC[C@H]2CCCS2(=O)=O)n1 ZINC000481845896 1071329735 /nfs/dbraw/zinc/32/97/35/1071329735.db2.gz ZFBUVRBSJNTPTJ-GHMZBOCLSA-N 0 3 404.518 -1.843 20 0 HAADHN CNc1nc(NC[C@@H]2CCCS2(=O)=O)nc(NC[C@@H]2CCCS2(=O)=O)n1 ZINC000481845900 1071329405 /nfs/dbraw/zinc/32/94/05/1071329405.db2.gz ZFBUVRBSJNTPTJ-QWRGUYRKSA-N 0 3 404.518 -1.843 20 0 HAADHN CN(CCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)S(C)(=O)=O ZINC000483505628 1071337888 /nfs/dbraw/zinc/33/78/88/1071337888.db2.gz NLALWMNVCUGYRN-HNNXBMFYSA-N 0 3 403.549 -1.378 20 0 HAADHN CN(CCCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)S(C)(=O)=O ZINC000483505637 1071337745 /nfs/dbraw/zinc/33/77/45/1071337745.db2.gz NLALWMNVCUGYRN-OAHLLOKOSA-N 0 3 403.549 -1.378 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000483507645 1071338033 /nfs/dbraw/zinc/33/80/33/1071338033.db2.gz JUASHQMIFRTJRZ-KBPBESRZSA-N 0 3 415.516 -1.762 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000483507665 1071337835 /nfs/dbraw/zinc/33/78/35/1071337835.db2.gz JUASHQMIFRTJRZ-KGLIPLIRSA-N 0 3 415.516 -1.762 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000483507669 1071338143 /nfs/dbraw/zinc/33/81/43/1071338143.db2.gz JUASHQMIFRTJRZ-UONOGXRCSA-N 0 3 415.516 -1.762 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000483507672 1071337677 /nfs/dbraw/zinc/33/76/77/1071337677.db2.gz JUASHQMIFRTJRZ-ZIAGYGMSSA-N 0 3 415.516 -1.762 20 0 HAADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000483512930 1071338094 /nfs/dbraw/zinc/33/80/94/1071338094.db2.gz XUOWNGRYTMAMOD-KRWDZBQOSA-N 0 3 408.547 -1.543 20 0 HAADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000483512935 1071337947 /nfs/dbraw/zinc/33/79/47/1071337947.db2.gz XUOWNGRYTMAMOD-QGZVFWFLSA-N 0 3 408.547 -1.543 20 0 HAADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1C ZINC000483915924 1071339229 /nfs/dbraw/zinc/33/92/29/1071339229.db2.gz ABFAVTPOYSBBRT-AWEZNQCLSA-N 0 3 412.516 -1.228 20 0 HAADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1C ZINC000483915925 1071339268 /nfs/dbraw/zinc/33/92/68/1071339268.db2.gz ABFAVTPOYSBBRT-CQSZACIVSA-N 0 3 412.516 -1.228 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000483926432 1071339322 /nfs/dbraw/zinc/33/93/22/1071339322.db2.gz COTJQDTUZZEJBH-CYBMUJFWSA-N 0 3 417.470 -1.801 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000483926433 1071339619 /nfs/dbraw/zinc/33/96/19/1071339619.db2.gz COTJQDTUZZEJBH-ZDUSSCGKSA-N 0 3 417.470 -1.801 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000483929017 1071339599 /nfs/dbraw/zinc/33/95/99/1071339599.db2.gz UXKOVLDGQAOWME-HNNXBMFYSA-N 0 3 401.533 -1.671 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000483929018 1071339560 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C[C@@H](CNC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(N)(=O)=O ZINC000541958946 1071457697 /nfs/dbraw/zinc/45/76/97/1071457697.db2.gz GNPXVHWXDXKWSZ-AWEZNQCLSA-N 0 3 411.528 -1.157 20 0 HAADHN C[C@H](CNC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)S(N)(=O)=O ZINC000541958948 1071457589 /nfs/dbraw/zinc/45/75/89/1071457589.db2.gz GNPXVHWXDXKWSZ-CQSZACIVSA-N 0 3 411.528 -1.157 20 0 HAADHN CN(C)CC(=O)N1CCN(CC2(CN3CCN(C(=O)CN(C)C)CC3)COC2)CC1 ZINC000542001145 1071458997 /nfs/dbraw/zinc/45/89/97/1071458997.db2.gz HETSURFWACXYFL-UHFFFAOYSA-N 0 3 424.590 -1.585 20 0 HAADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@H](C)C[S@@](C)=O)nc(N2CCOCC2)n1 ZINC000544139032 1071915690 /nfs/dbraw/zinc/91/56/90/1071915690.db2.gz XTKWCYLDHFRTLC-DHOFHSIOSA-N 0 3 404.562 -1.090 20 0 HAADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@@H](C)C[S@](C)=O)nc(N2CCOCC2)n1 ZINC000544139033 1070919917 /nfs/dbraw/zinc/91/99/17/1070919917.db2.gz XTKWCYLDHFRTLC-FJHRTPKUSA-N 0 3 404.562 -1.090 20 0 HAADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@H](C)C[S@](C)=O)nc(N2CCOCC2)n1 ZINC000544139034 1070920149 /nfs/dbraw/zinc/92/01/49/1070920149.db2.gz XTKWCYLDHFRTLC-KCZRFAQISA-N 0 3 404.562 -1.090 20 0 HAADHN C[C@H](C[S@](C)=O)Nc1nc(N[C@@H](C)C[S@@](C)=O)nc(N2CCOCC2)n1 ZINC000544139035 1070920052 /nfs/dbraw/zinc/92/00/52/1070920052.db2.gz XTKWCYLDHFRTLC-WEELLQAPSA-N 0 3 404.562 -1.090 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000550343661 1071067934 /nfs/dbraw/zinc/06/79/34/1071067934.db2.gz DPEYJTILYYAUOY-UHFFFAOYSA-N 0 3 408.507 -2.079 20 0 HAADHN COCCN1CC[C@H](NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000550374820 1071069434 /nfs/dbraw/zinc/06/94/34/1071069434.db2.gz NWPXZSIUHCNHGG-KRWDZBQOSA-N 0 3 419.530 -1.058 20 0 HAADHN COCCN1CC[C@@H](NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000550374821 1071069345 /nfs/dbraw/zinc/06/93/45/1071069345.db2.gz NWPXZSIUHCNHGG-QGZVFWFLSA-N 0 3 419.530 -1.058 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N2CCN(c3ncccc3C(N)=O)CC2)n1 ZINC000550388602 1071070215 /nfs/dbraw/zinc/07/02/15/1071070215.db2.gz 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CN1CCN(C(=O)CCNC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000550669254 1071233185 /nfs/dbraw/zinc/23/31/85/1071233185.db2.gz NBSAQZTXCVMSIX-UHFFFAOYSA-N 0 3 409.531 -1.163 20 0 HAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000550692683 1071233862 /nfs/dbraw/zinc/23/38/62/1071233862.db2.gz ZMDRDRWFXQJABA-KRWDZBQOSA-N 0 3 409.531 -1.020 20 0 HAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000550692684 1071233834 /nfs/dbraw/zinc/23/38/34/1071233834.db2.gz ZMDRDRWFXQJABA-QGZVFWFLSA-N 0 3 409.531 -1.020 20 0 HAADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000550785477 1071236912 /nfs/dbraw/zinc/23/69/12/1071236912.db2.gz UZYHNJFAZIFPIN-UHFFFAOYSA-N 0 3 410.563 -1.201 20 0 HAADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000550935107 1071240850 /nfs/dbraw/zinc/24/08/50/1071240850.db2.gz ORJIDZGMMZTNEU-CYBMUJFWSA-N 0 3 406.443 -1.090 20 0 HAADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000550935108 1071240781 /nfs/dbraw/zinc/24/07/81/1071240781.db2.gz ORJIDZGMMZTNEU-ZDUSSCGKSA-N 0 3 406.443 -1.090 20 0 HAADHN CC1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000551015316 1071242449 /nfs/dbraw/zinc/24/24/49/1071242449.db2.gz DQKMTGJRGJULEK-UHFFFAOYSA-N 0 3 409.531 -1.163 20 0 HAADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000551032530 1071243109 /nfs/dbraw/zinc/24/31/09/1071243109.db2.gz VJRKYPRMIIQUTG-GOSISDBHSA-N 0 3 422.574 -1.106 20 0 HAADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000551032538 1071243142 /nfs/dbraw/zinc/24/31/42/1071243142.db2.gz VJRKYPRMIIQUTG-SFHVURJKSA-N 0 3 422.574 -1.106 20 0 HAADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000551040162 1071243810 /nfs/dbraw/zinc/24/38/10/1071243810.db2.gz VUTYAAUBYVFTQG-AWEZNQCLSA-N 0 3 421.502 -1.677 20 0 HAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000551040163 1071244190 /nfs/dbraw/zinc/24/41/90/1071244190.db2.gz VUTYAAUBYVFTQG-CQSZACIVSA-N 0 3 421.502 -1.677 20 0 HAADHN Cn1c2ncn(CCN3CCC(n4cnc(C(N)=O)c4N)CC3)c2c(=O)n(C)c1=O ZINC000551043797 1071244051 /nfs/dbraw/zinc/24/40/51/1071244051.db2.gz AIYLKJPCFNMENF-UHFFFAOYSA-N 0 3 415.458 -1.352 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551048829 1071244131 /nfs/dbraw/zinc/24/41/31/1071244131.db2.gz RFQKVNOXVJQNCY-INIZCTEOSA-N 0 3 418.498 -1.014 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000551048830 1071243982 /nfs/dbraw/zinc/24/39/82/1071243982.db2.gz RFQKVNOXVJQNCY-MRXNPFEDSA-N 0 3 418.498 -1.014 20 0 HAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000551048930 1071244155 /nfs/dbraw/zinc/24/41/55/1071244155.db2.gz VJYJQHXPSSQVFG-UHFFFAOYSA-N 0 3 418.498 -1.060 20 0 HAADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000551058503 1071243755 /nfs/dbraw/zinc/24/37/55/1071243755.db2.gz PHUFAPTUUDKIBF-KRWDZBQOSA-N 0 3 408.547 -1.495 20 0 HAADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CCN(C)CC3)C2)CC1 ZINC000551058504 1071244078 /nfs/dbraw/zinc/24/40/78/1071244078.db2.gz PHUFAPTUUDKIBF-QGZVFWFLSA-N 0 3 408.547 -1.495 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000551122421 1071244656 /nfs/dbraw/zinc/24/46/56/1071244656.db2.gz OLJMMLYIFOKJNM-CVEARBPZSA-N 0 3 417.576 -1.084 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000551122422 1071245465 /nfs/dbraw/zinc/24/54/65/1071245465.db2.gz OLJMMLYIFOKJNM-HOTGVXAUSA-N 0 3 417.576 -1.084 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000551122423 1071245695 /nfs/dbraw/zinc/24/56/95/1071245695.db2.gz OLJMMLYIFOKJNM-HZPDHXFCSA-N 0 3 417.576 -1.084 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000551122424 1071245492 /nfs/dbraw/zinc/24/54/92/1071245492.db2.gz OLJMMLYIFOKJNM-JKSUJKDBSA-N 0 3 417.576 -1.084 20 0 HAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000551123375 1071245569 /nfs/dbraw/zinc/24/55/69/1071245569.db2.gz ZEBOGLIZUKNNBE-CVEARBPZSA-N 0 3 417.576 -1.084 20 0 HAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000551123376 1071245753 /nfs/dbraw/zinc/24/57/53/1071245753.db2.gz ZEBOGLIZUKNNBE-HOTGVXAUSA-N 0 3 417.576 -1.084 20 0 HAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000551123377 1071245386 /nfs/dbraw/zinc/24/53/86/1071245386.db2.gz ZEBOGLIZUKNNBE-HZPDHXFCSA-N 0 3 417.576 -1.084 20 0 HAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000551123378 1071245654 /nfs/dbraw/zinc/24/56/54/1071245654.db2.gz ZEBOGLIZUKNNBE-JKSUJKDBSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)CN1CCN(C)CC1 ZINC000551126844 1071640092 /nfs/dbraw/zinc/64/00/92/1071640092.db2.gz YKKKPWQSYGDYCY-CYBMUJFWSA-N 0 3 410.548 -1.231 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)CN1CCN(C)CC1 ZINC000551126846 1071639487 /nfs/dbraw/zinc/63/94/87/1071639487.db2.gz YKKKPWQSYGDYCY-ZDUSSCGKSA-N 0 3 410.548 -1.231 20 0 HAADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000551147911 1071246374 /nfs/dbraw/zinc/24/63/74/1071246374.db2.gz DTPPXZIJTCJCAN-DLBZAZTESA-N 0 3 422.574 -1.203 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000551147912 1071246522 /nfs/dbraw/zinc/24/65/22/1071246522.db2.gz DTPPXZIJTCJCAN-IAGOWNOFSA-N 0 3 422.574 -1.203 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000551147913 1071246510 /nfs/dbraw/zinc/24/65/10/1071246510.db2.gz DTPPXZIJTCJCAN-IRXDYDNUSA-N 0 3 422.574 -1.203 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000551147914 1071246486 /nfs/dbraw/zinc/24/64/86/1071246486.db2.gz DTPPXZIJTCJCAN-SJORKVTESA-N 0 3 422.574 -1.203 20 0 HAADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551149764 1071246217 /nfs/dbraw/zinc/24/62/17/1071246217.db2.gz YADZOEJQQMPWKA-HNNXBMFYSA-N 0 3 405.565 -1.226 20 0 HAADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551149767 1071246403 /nfs/dbraw/zinc/24/64/03/1071246403.db2.gz YADZOEJQQMPWKA-OAHLLOKOSA-N 0 3 405.565 -1.226 20 0 HAADHN CCN(CCCNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)S(C)(=O)=O ZINC000551151475 1071246462 /nfs/dbraw/zinc/24/64/62/1071246462.db2.gz KZLRCWIGKHPQAH-HNNXBMFYSA-N 0 3 405.565 -1.226 20 0 HAADHN CCN(CCCNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)S(C)(=O)=O ZINC000551151476 1071246436 /nfs/dbraw/zinc/24/64/36/1071246436.db2.gz KZLRCWIGKHPQAH-OAHLLOKOSA-N 0 3 405.565 -1.226 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000551152265 1071246498 /nfs/dbraw/zinc/24/64/98/1071246498.db2.gz NICDWASQFHGPQV-INIZCTEOSA-N 0 3 417.576 -1.130 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000551152270 1071246269 /nfs/dbraw/zinc/24/62/69/1071246269.db2.gz NICDWASQFHGPQV-MRXNPFEDSA-N 0 3 417.576 -1.130 20 0 HAADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000551159435 1071247237 /nfs/dbraw/zinc/24/72/37/1071247237.db2.gz OWSLNCKDIGMKGE-KRWDZBQOSA-N 0 3 422.574 -1.059 20 0 HAADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000551159436 1071247206 /nfs/dbraw/zinc/24/72/06/1071247206.db2.gz OWSLNCKDIGMKGE-QGZVFWFLSA-N 0 3 422.574 -1.059 20 0 HAADHN Cn1cc(N2CCN(C(=O)C(=O)NCCCCN3CCN(C)CC3)CC2=O)cn1 ZINC000551159872 1071247183 /nfs/dbraw/zinc/24/71/83/1071247183.db2.gz VWRZXEDSLHGGMT-UHFFFAOYSA-N 0 3 405.503 -1.261 20 0 HAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000551164815 1071247280 /nfs/dbraw/zinc/24/72/80/1071247280.db2.gz OURUEQASDJZZDM-UHFFFAOYSA-N 0 3 409.531 -1.018 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000551165333 1071247165 /nfs/dbraw/zinc/24/71/65/1071247165.db2.gz RFIAFOXTTYDRHI-KRWDZBQOSA-N 0 3 409.531 -1.020 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000551165335 1071247342 /nfs/dbraw/zinc/24/73/42/1071247342.db2.gz RFIAFOXTTYDRHI-QGZVFWFLSA-N 0 3 409.531 -1.020 20 0 HAADHN CN(C)C[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CCO1 ZINC000551197997 1071248049 /nfs/dbraw/zinc/24/80/49/1071248049.db2.gz KBAOLIYICVNBPS-INIZCTEOSA-N 0 3 405.503 -1.496 20 0 HAADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CCO1 ZINC000551197999 1071247948 /nfs/dbraw/zinc/24/79/48/1071247948.db2.gz KBAOLIYICVNBPS-MRXNPFEDSA-N 0 3 405.503 -1.496 20 0 HAADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCSC1 ZINC000551212146 1071248622 /nfs/dbraw/zinc/24/86/22/1071248622.db2.gz TVFFGAFCHXOPLJ-GOSISDBHSA-N 0 3 408.528 -1.018 20 0 HAADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCSC1 ZINC000551212147 1071248737 /nfs/dbraw/zinc/24/87/37/1071248737.db2.gz TVFFGAFCHXOPLJ-SFHVURJKSA-N 0 3 408.528 -1.018 20 0 HAADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCSC1 ZINC000551218595 1071248777 /nfs/dbraw/zinc/24/87/77/1071248777.db2.gz AZDGRBKGTWHULQ-INIZCTEOSA-N 0 3 410.504 -2.103 20 0 HAADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCSC1 ZINC000551218597 1071248644 /nfs/dbraw/zinc/24/86/44/1071248644.db2.gz AZDGRBKGTWHULQ-MRXNPFEDSA-N 0 3 410.504 -2.103 20 0 HAADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000551322923 1071250011 /nfs/dbraw/zinc/25/00/11/1071250011.db2.gz QSMMMWIDDNLQLQ-UHFFFAOYSA-N 0 3 405.565 -1.084 20 0 HAADHN COCCN(C(=O)CSc1nnnn1CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000551422598 1071250956 /nfs/dbraw/zinc/25/09/56/1071250956.db2.gz HGVQDLGJLIPZMF-GFCCVEGCSA-N 0 3 406.534 -1.011 20 0 HAADHN COCCN(C(=O)CSc1nnnn1CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000551422599 1071250891 /nfs/dbraw/zinc/25/08/91/1071250891.db2.gz HGVQDLGJLIPZMF-LBPRGKRZSA-N 0 3 406.534 -1.011 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000551482841 1071252329 /nfs/dbraw/zinc/25/23/29/1071252329.db2.gz RJOSDXRRRVBGRV-HZPDHXFCSA-N 0 3 417.576 -1.084 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000551482842 1071252416 /nfs/dbraw/zinc/25/24/16/1071252416.db2.gz RJOSDXRRRVBGRV-JKSUJKDBSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000551503257 1071252049 /nfs/dbraw/zinc/25/20/49/1071252049.db2.gz DRMOKJLWLRCNIQ-INIZCTEOSA-N 0 3 408.547 -1.591 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000551503258 1071252268 /nfs/dbraw/zinc/25/22/68/1071252268.db2.gz DRMOKJLWLRCNIQ-MRXNPFEDSA-N 0 3 408.547 -1.591 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000551503364 1071252357 /nfs/dbraw/zinc/25/23/57/1071252357.db2.gz HSBSMWKCHGTOOX-GOSISDBHSA-N 0 3 422.574 -1.247 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000551503365 1071252396 /nfs/dbraw/zinc/25/23/96/1071252396.db2.gz HSBSMWKCHGTOOX-SFHVURJKSA-N 0 3 422.574 -1.247 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000551504761 1071253074 /nfs/dbraw/zinc/25/30/74/1071253074.db2.gz GKTHLFXJWIGVAG-INIZCTEOSA-N 0 3 419.530 -1.015 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC000551504762 1071252989 /nfs/dbraw/zinc/25/29/89/1071252989.db2.gz GKTHLFXJWIGVAG-MRXNPFEDSA-N 0 3 419.530 -1.015 20 0 HAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551507765 1071253043 /nfs/dbraw/zinc/25/30/43/1071253043.db2.gz OGWPMIIMVSLMLO-CABCVRRESA-N 0 3 403.549 -1.474 20 0 HAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551507785 1071252965 /nfs/dbraw/zinc/25/29/65/1071252965.db2.gz OGWPMIIMVSLMLO-GJZGRUSLSA-N 0 3 403.549 -1.474 20 0 HAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000551507786 1071252888 /nfs/dbraw/zinc/25/28/88/1071252888.db2.gz OGWPMIIMVSLMLO-HUUCEWRRSA-N 0 3 403.549 -1.474 20 0 HAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551507787 1071253123 /nfs/dbraw/zinc/25/31/23/1071253123.db2.gz OGWPMIIMVSLMLO-LSDHHAIUSA-N 0 3 403.549 -1.474 20 0 HAADHN CCN(CCCNC(=O)C(=O)N(C)CCCN1CCN(C)CC1)S(C)(=O)=O ZINC000551634888 1071254313 /nfs/dbraw/zinc/25/43/13/1071254313.db2.gz MSZKOFLNXDFETQ-UHFFFAOYSA-N 0 3 405.565 -1.130 20 0 HAADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000551834954 1071257247 /nfs/dbraw/zinc/25/72/47/1071257247.db2.gz DJTOLFFHYPSPEP-UHFFFAOYSA-N 0 3 421.546 -1.017 20 0 HAADHN CCN(CCCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)S(C)(=O)=O ZINC000551858021 1071258231 /nfs/dbraw/zinc/25/82/31/1071258231.db2.gz KIXJNLUMNPLUAM-UHFFFAOYSA-N 0 3 405.565 -1.084 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)CC1=O ZINC000552359888 1071276858 /nfs/dbraw/zinc/27/68/58/1071276858.db2.gz ZICROLUUDRWTAS-GFCCVEGCSA-N 0 3 403.443 -1.263 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccnc3c(C(N)=O)cnn32)CC1=O ZINC000552359889 1071276732 /nfs/dbraw/zinc/27/67/32/1071276732.db2.gz ZICROLUUDRWTAS-LBPRGKRZSA-N 0 3 403.443 -1.263 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1=O ZINC000552360294 1071276899 /nfs/dbraw/zinc/27/68/99/1071276899.db2.gz COCWQSKTCGXMBT-CYBMUJFWSA-N 0 3 405.459 -1.575 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2cnc3c(cnn3C)c2=O)CC1=O ZINC000552360295 1071276812 /nfs/dbraw/zinc/27/68/12/1071276812.db2.gz COCWQSKTCGXMBT-ZDUSSCGKSA-N 0 3 405.459 -1.575 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)CN1CCOCC1 ZINC000552540065 1071278342 /nfs/dbraw/zinc/27/83/42/1071278342.db2.gz LEXAJDMEABOTPM-KRWDZBQOSA-N 0 3 409.531 -1.163 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)CN1CCOCC1 ZINC000552540066 1071278471 /nfs/dbraw/zinc/27/84/71/1071278471.db2.gz LEXAJDMEABOTPM-QGZVFWFLSA-N 0 3 409.531 -1.163 20 0 HAADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)C2)CC1 ZINC000552583434 1071279823 /nfs/dbraw/zinc/27/98/23/1071279823.db2.gz BCDHPOQFTCIWOP-INIZCTEOSA-N 0 3 417.514 -1.051 20 0 HAADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)C2)CC1 ZINC000552583435 1071280091 /nfs/dbraw/zinc/28/00/91/1071280091.db2.gz BCDHPOQFTCIWOP-MRXNPFEDSA-N 0 3 417.514 -1.051 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000552927601 1071285617 /nfs/dbraw/zinc/28/56/17/1071285617.db2.gz YGNYWKVBGMCXMP-HNNXBMFYSA-N 0 3 417.470 -1.912 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000552927602 1071285549 /nfs/dbraw/zinc/28/55/49/1071285549.db2.gz YGNYWKVBGMCXMP-OAHLLOKOSA-N 0 3 417.470 -1.912 20 0 HAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000552928639 1071285481 /nfs/dbraw/zinc/28/54/81/1071285481.db2.gz LHQIJAWOULSJPH-UHFFFAOYSA-N 0 3 419.486 -1.665 20 0 HAADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000552947047 1071286108 /nfs/dbraw/zinc/28/61/08/1071286108.db2.gz HCQWEKVWRQNXAY-HNNXBMFYSA-N 0 3 403.487 -1.216 20 0 HAADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CC2 ZINC000552947048 1071285999 /nfs/dbraw/zinc/28/59/99/1071285999.db2.gz HCQWEKVWRQNXAY-OAHLLOKOSA-N 0 3 403.487 -1.216 20 0 HAADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000552967295 1071286745 /nfs/dbraw/zinc/28/67/45/1071286745.db2.gz LPCHJQILDCZQJE-CABCVRRESA-N 0 3 403.487 -1.217 20 0 HAADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000552967296 1071286700 /nfs/dbraw/zinc/28/67/00/1071286700.db2.gz LPCHJQILDCZQJE-GJZGRUSLSA-N 0 3 403.487 -1.217 20 0 HAADHN Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000552967297 1071286950 /nfs/dbraw/zinc/28/69/50/1071286950.db2.gz LPCHJQILDCZQJE-HUUCEWRRSA-N 0 3 403.487 -1.217 20 0 HAADHN Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000552967298 1071286871 /nfs/dbraw/zinc/28/68/71/1071286871.db2.gz LPCHJQILDCZQJE-LSDHHAIUSA-N 0 3 403.487 -1.217 20 0 HAADHN COCC(=O)N1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000553149450 1071289852 /nfs/dbraw/zinc/28/98/52/1071289852.db2.gz GRJLXAPYXNGIPJ-HNNXBMFYSA-N 0 3 411.503 -1.638 20 0 HAADHN COCC(=O)N1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000553149451 1071289906 /nfs/dbraw/zinc/28/99/06/1071289906.db2.gz GRJLXAPYXNGIPJ-OAHLLOKOSA-N 0 3 411.503 -1.638 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000553150337 1071290712 /nfs/dbraw/zinc/29/07/12/1071290712.db2.gz RHCCEIQWPCYUPV-INIZCTEOSA-N 0 3 411.547 -1.040 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000553150338 1071290778 /nfs/dbraw/zinc/29/07/78/1071290778.db2.gz RHCCEIQWPCYUPV-MRXNPFEDSA-N 0 3 411.547 -1.040 20 0 HAADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000553151273 1071290669 /nfs/dbraw/zinc/29/06/69/1071290669.db2.gz CWIVQIMCORUCCJ-CVEARBPZSA-N 0 3 411.503 -1.591 20 0 HAADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC000553151274 1071290806 /nfs/dbraw/zinc/29/08/06/1071290806.db2.gz CWIVQIMCORUCCJ-HOTGVXAUSA-N 0 3 411.503 -1.591 20 0 HAADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000553151275 1071290848 /nfs/dbraw/zinc/29/08/48/1071290848.db2.gz CWIVQIMCORUCCJ-HZPDHXFCSA-N 0 3 411.503 -1.591 20 0 HAADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC000553151276 1071290518 /nfs/dbraw/zinc/29/05/18/1071290518.db2.gz CWIVQIMCORUCCJ-JKSUJKDBSA-N 0 3 411.503 -1.591 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCN(Cc3nccn3C)C2=O)n1 ZINC000553160625 1071290723 /nfs/dbraw/zinc/29/07/23/1071290723.db2.gz XCEXRFRMFOAKHK-CYBMUJFWSA-N 0 3 403.491 -1.302 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCN(Cc3nccn3C)C2=O)n1 ZINC000553160626 1071290565 /nfs/dbraw/zinc/29/05/65/1071290565.db2.gz XCEXRFRMFOAKHK-ZDUSSCGKSA-N 0 3 403.491 -1.302 20 0 HAADHN NC(=O)NC1(C(=O)NCCN(CCN2CCCCC2)C(=O)C2(NC(N)=O)CC2)CC1 ZINC000553178650 1071291473 /nfs/dbraw/zinc/29/14/73/1071291473.db2.gz WLBLPPBKTACYOS-UHFFFAOYSA-N 0 3 423.518 -1.181 20 0 HAADHN C[C@@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN1CC(C)(C)O ZINC000553200842 1071292251 /nfs/dbraw/zinc/29/22/51/1071292251.db2.gz PQLHLNMHHSKIJQ-AJKMGBEJSA-N 0 3 422.486 -1.281 20 0 HAADHN C[C@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN1CC(C)(C)O ZINC000553200843 1071292126 /nfs/dbraw/zinc/29/21/26/1071292126.db2.gz PQLHLNMHHSKIJQ-URQYDQELSA-N 0 3 422.486 -1.281 20 0 HAADHN CC(C)Nc1nc(NCCO)nc([N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[nH+]1 ZINC000553262250 1071293695 /nfs/dbraw/zinc/29/36/95/1071293695.db2.gz NGEYDBZIQBVOAO-SECBINFHSA-N 0 3 415.442 -1.404 20 0 HAADHN CC(C)Nc1nc([N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[nH+]c(NCCO)n1 ZINC000553262250 1071293678 /nfs/dbraw/zinc/29/36/78/1071293678.db2.gz NGEYDBZIQBVOAO-SECBINFHSA-N 0 3 415.442 -1.404 20 0 HAADHN CC(C)Nc1nc(NCCO)nc([N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[nH+]1 ZINC000553262251 1071293814 /nfs/dbraw/zinc/29/38/14/1071293814.db2.gz NGEYDBZIQBVOAO-VIFPVBQESA-N 0 3 415.442 -1.404 20 0 HAADHN CC(C)Nc1nc([N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[nH+]c(NCCO)n1 ZINC000553262251 1071293804 /nfs/dbraw/zinc/29/38/04/1071293804.db2.gz NGEYDBZIQBVOAO-VIFPVBQESA-N 0 3 415.442 -1.404 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 ZINC000553299355 1071293905 /nfs/dbraw/zinc/29/39/05/1071293905.db2.gz YTSJHTSWOAXWKH-UHFFFAOYSA-N 0 3 406.491 -1.789 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000553336431 1071294697 /nfs/dbraw/zinc/29/46/97/1071294697.db2.gz SIKHWLRBLNXSIV-CHWSQXEVSA-N 0 3 401.537 -1.118 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000553336432 1071294897 /nfs/dbraw/zinc/29/48/97/1071294897.db2.gz SIKHWLRBLNXSIV-OLZOCXBDSA-N 0 3 401.537 -1.118 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 ZINC000553336433 1071294660 /nfs/dbraw/zinc/29/46/60/1071294660.db2.gz SIKHWLRBLNXSIV-QWHCGFSZSA-N 0 3 401.537 -1.118 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 ZINC000553336434 1071294626 /nfs/dbraw/zinc/29/46/26/1071294626.db2.gz SIKHWLRBLNXSIV-STQMWFEESA-N 0 3 401.537 -1.118 20 0 HAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000553351193 1071295491 /nfs/dbraw/zinc/29/54/91/1071295491.db2.gz DKCSOBMPNPKMFO-KRWDZBQOSA-N 0 3 409.531 -1.020 20 0 HAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000553351194 1071295289 /nfs/dbraw/zinc/29/52/89/1071295289.db2.gz DKCSOBMPNPKMFO-QGZVFWFLSA-N 0 3 409.531 -1.020 20 0 HAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000553354356 1071295603 /nfs/dbraw/zinc/29/56/03/1071295603.db2.gz LUYBPJYIRLJRLB-AWEZNQCLSA-N 0 3 421.502 -1.534 20 0 HAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000553354357 1071295450 /nfs/dbraw/zinc/29/54/50/1071295450.db2.gz LUYBPJYIRLJRLB-CQSZACIVSA-N 0 3 421.502 -1.534 20 0 HAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000553354769 1071295384 /nfs/dbraw/zinc/29/53/84/1071295384.db2.gz PJTAGTVEJPAPBS-INIZCTEOSA-N 0 3 423.514 -1.493 20 0 HAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000553354771 1071295533 /nfs/dbraw/zinc/29/55/33/1071295533.db2.gz PJTAGTVEJPAPBS-MRXNPFEDSA-N 0 3 423.514 -1.493 20 0 HAADHN COCCN(CCN(C)C)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000553747034 1071300957 /nfs/dbraw/zinc/30/09/57/1071300957.db2.gz UKCTYWGKQXATLS-UHFFFAOYSA-N 0 3 410.562 -1.482 20 0 HAADHN CN(C)c1ncc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C ZINC000553834486 1071301570 /nfs/dbraw/zinc/30/15/70/1071301570.db2.gz FOPSHFKLHWODRY-HNNXBMFYSA-N 0 3 405.503 -1.133 20 0 HAADHN CN(C)c1ncc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C ZINC000553834490 1071301868 /nfs/dbraw/zinc/30/18/68/1071301868.db2.gz FOPSHFKLHWODRY-OAHLLOKOSA-N 0 3 405.503 -1.133 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(CC(F)F)CC1 ZINC000554427693 1071309881 /nfs/dbraw/zinc/30/98/81/1071309881.db2.gz CZIWXNDNJBLHAU-UHFFFAOYSA-N 0 3 405.490 -1.098 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000554436892 1071309856 /nfs/dbraw/zinc/30/98/56/1071309856.db2.gz AMJMKGAJKNIJFT-DLBZAZTESA-N 0 3 409.531 -1.238 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000554436893 1071309771 /nfs/dbraw/zinc/30/97/71/1071309771.db2.gz AMJMKGAJKNIJFT-IAGOWNOFSA-N 0 3 409.531 -1.238 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000554436894 1071309979 /nfs/dbraw/zinc/30/99/79/1071309979.db2.gz AMJMKGAJKNIJFT-IRXDYDNUSA-N 0 3 409.531 -1.238 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000554436895 1071309754 /nfs/dbraw/zinc/30/97/54/1071309754.db2.gz AMJMKGAJKNIJFT-SJORKVTESA-N 0 3 409.531 -1.238 20 0 HAADHN CC(C)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000554437730 1071309709 /nfs/dbraw/zinc/30/97/09/1071309709.db2.gz OQOPTZMVNGDRPJ-UHFFFAOYSA-N 0 3 411.547 -1.181 20 0 HAADHN C[C@H](O)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1C ZINC000554438077 1071309617 /nfs/dbraw/zinc/30/96/17/1071309617.db2.gz XNLWWCLJAFBBFU-MSOLQXFVSA-N 0 3 413.563 -1.594 20 0 HAADHN C[C@@H](O)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@H]1C ZINC000554438078 1071310023 /nfs/dbraw/zinc/31/00/23/1071310023.db2.gz XNLWWCLJAFBBFU-QZTJIDSGSA-N 0 3 413.563 -1.594 20 0 HAADHN C[C@H](O)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1C ZINC000554438079 1071309795 /nfs/dbraw/zinc/30/97/95/1071309795.db2.gz XNLWWCLJAFBBFU-ROUUACIJSA-N 0 3 413.563 -1.594 20 0 HAADHN C[C@@H](O)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C[C@@H]1C ZINC000554438080 1071309932 /nfs/dbraw/zinc/30/99/32/1071309932.db2.gz XNLWWCLJAFBBFU-ZWKOTPCHSA-N 0 3 413.563 -1.594 20 0 HAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000554554389 1071310405 /nfs/dbraw/zinc/31/04/05/1071310405.db2.gz FZNLXONQJXJJQT-AWEZNQCLSA-N 0 3 403.549 -1.331 20 0 HAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000554554390 1071310562 /nfs/dbraw/zinc/31/05/62/1071310562.db2.gz FZNLXONQJXJJQT-CQSZACIVSA-N 0 3 403.549 -1.331 20 0 HAADHN CCN1CC[C@H]2OCCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC000555585600 1071320697 /nfs/dbraw/zinc/32/06/97/1071320697.db2.gz MYENZNHBGUXTCX-RBUKOAKNSA-N 0 3 423.558 -1.216 20 0 HAADHN CC(C)(CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000555668495 1071322653 /nfs/dbraw/zinc/32/26/53/1071322653.db2.gz QTKBTQDPDDEGGQ-UHFFFAOYSA-N 0 3 409.531 -1.020 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC000555893902 1071326323 /nfs/dbraw/zinc/32/63/23/1071326323.db2.gz DNTXCTVBINOQCD-UHFFFAOYSA-N 0 3 422.490 -2.553 20 0 HAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000556105116 1071510145 /nfs/dbraw/zinc/51/01/45/1071510145.db2.gz IXRPUIVNBTYGCY-AWEZNQCLSA-N 0 3 421.502 -1.534 20 0 HAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000556105117 1071510256 /nfs/dbraw/zinc/51/02/56/1071510256.db2.gz IXRPUIVNBTYGCY-CQSZACIVSA-N 0 3 421.502 -1.534 20 0 HAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000556108430 1071510847 /nfs/dbraw/zinc/51/08/47/1071510847.db2.gz PMYLRGRORSVVEO-INIZCTEOSA-N 0 3 423.514 -1.493 20 0 HAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000556108433 1071510770 /nfs/dbraw/zinc/51/07/70/1071510770.db2.gz PMYLRGRORSVVEO-MRXNPFEDSA-N 0 3 423.514 -1.493 20 0 HAADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000556171073 1071511722 /nfs/dbraw/zinc/51/17/22/1071511722.db2.gz PRTORPKKZFOPQJ-UHFFFAOYSA-N 0 3 403.549 -1.376 20 0 HAADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCSC1 ZINC000556204023 1071513041 /nfs/dbraw/zinc/51/30/41/1071513041.db2.gz HZJDUESRVDEKBG-GOSISDBHSA-N 0 3 411.528 -1.511 20 0 HAADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCSC1 ZINC000556204028 1071512864 /nfs/dbraw/zinc/51/28/64/1071512864.db2.gz HZJDUESRVDEKBG-SFHVURJKSA-N 0 3 411.528 -1.511 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000556353065 1071515669 /nfs/dbraw/zinc/51/56/69/1071515669.db2.gz HMSAGSHPSFOUBD-HNNXBMFYSA-N 0 3 405.503 -1.288 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000556353066 1071516049 /nfs/dbraw/zinc/51/60/49/1071516049.db2.gz HMSAGSHPSFOUBD-OAHLLOKOSA-N 0 3 405.503 -1.288 20 0 HAADHN C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)CN1CCN(C)CC1 ZINC000556354158 1071515906 /nfs/dbraw/zinc/51/59/06/1071515906.db2.gz DKRGWGNAGXVJBB-INIZCTEOSA-N 0 3 421.546 -1.113 20 0 HAADHN C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)CN1CCN(C)CC1 ZINC000556354159 1071515523 /nfs/dbraw/zinc/51/55/23/1071515523.db2.gz DKRGWGNAGXVJBB-MRXNPFEDSA-N 0 3 421.546 -1.113 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000556354318 1071515415 /nfs/dbraw/zinc/51/54/15/1071515415.db2.gz GCGJQUXJRKPSMS-HNNXBMFYSA-N 0 3 403.549 -1.520 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000556354320 1071516008 /nfs/dbraw/zinc/51/60/08/1071516008.db2.gz GCGJQUXJRKPSMS-OAHLLOKOSA-N 0 3 403.549 -1.520 20 0 HAADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000556367623 1071516435 /nfs/dbraw/zinc/51/64/35/1071516435.db2.gz CEVXANUGTDXHIM-KRWDZBQOSA-N 0 3 410.563 -1.345 20 0 HAADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000556367629 1071516585 /nfs/dbraw/zinc/51/65/85/1071516585.db2.gz CEVXANUGTDXHIM-QGZVFWFLSA-N 0 3 410.563 -1.345 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000556368963 1071516387 /nfs/dbraw/zinc/51/63/87/1071516387.db2.gz GNGJHTNYDOFKGY-INIZCTEOSA-N 0 3 410.563 -1.216 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 ZINC000556368964 1071516752 /nfs/dbraw/zinc/51/67/52/1071516752.db2.gz GNGJHTNYDOFKGY-MRXNPFEDSA-N 0 3 410.563 -1.216 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000556369149 1071516711 /nfs/dbraw/zinc/51/67/11/1071516711.db2.gz QHTHIBYYDUFISK-HNNXBMFYSA-N 0 3 422.530 -2.065 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)CN1CCN(C)CC1 ZINC000556369153 1071516511 /nfs/dbraw/zinc/51/65/11/1071516511.db2.gz QHTHIBYYDUFISK-OAHLLOKOSA-N 0 3 422.530 -2.065 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)CN1CCN(C)CC1 ZINC000556369254 1071515750 /nfs/dbraw/zinc/51/57/50/1071515750.db2.gz RNJQIVKIKXYNJX-KRWDZBQOSA-N 0 3 410.563 -1.391 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1)CN1CCN(C)CC1 ZINC000556369259 1071515948 /nfs/dbraw/zinc/51/59/48/1071515948.db2.gz RNJQIVKIKXYNJX-QGZVFWFLSA-N 0 3 410.563 -1.391 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000556931577 1071530771 /nfs/dbraw/zinc/53/07/71/1071530771.db2.gz XJAOKYNXNCBJLE-CABCVRRESA-N 0 3 404.533 -1.599 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000556931597 1071530541 /nfs/dbraw/zinc/53/05/41/1071530541.db2.gz XJAOKYNXNCBJLE-GJZGRUSLSA-N 0 3 404.533 -1.599 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000556931600 1071530738 /nfs/dbraw/zinc/53/07/38/1071530738.db2.gz XJAOKYNXNCBJLE-HUUCEWRRSA-N 0 3 404.533 -1.599 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000556931602 1071530629 /nfs/dbraw/zinc/53/06/29/1071530629.db2.gz XJAOKYNXNCBJLE-LSDHHAIUSA-N 0 3 404.533 -1.599 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000556934520 1071530701 /nfs/dbraw/zinc/53/07/01/1071530701.db2.gz WRSWZOQABRJHFI-HNNXBMFYSA-N 0 3 404.533 -1.047 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1=O ZINC000556934529 1071530666 /nfs/dbraw/zinc/53/06/66/1071530666.db2.gz WRSWZOQABRJHFI-OAHLLOKOSA-N 0 3 404.533 -1.047 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)CN1CCOCC1 ZINC000557252325 1071951204 /nfs/dbraw/zinc/95/12/04/1071951204.db2.gz XIQQLTANJJBAON-DLBZAZTESA-N 0 3 409.531 -1.164 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)CN1CCOCC1 ZINC000557252326 1071951408 /nfs/dbraw/zinc/95/14/08/1071951408.db2.gz XIQQLTANJJBAON-IAGOWNOFSA-N 0 3 409.531 -1.164 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)CN1CCOCC1 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CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000557572516 1071955834 /nfs/dbraw/zinc/95/58/34/1071955834.db2.gz UUESZMTWRDPINA-RYUDHWBXSA-N 0 3 415.520 -2.287 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)n1 ZINC000557572517 1071955856 /nfs/dbraw/zinc/95/58/56/1071955856.db2.gz UUESZMTWRDPINA-VXGBXAGGSA-N 0 3 415.520 -2.287 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(NCCS(=O)(=O)N2CCSCC2)n1 ZINC000557585207 1071955811 /nfs/dbraw/zinc/95/58/11/1071955811.db2.gz XYXQWMMUJQRMMJ-UHFFFAOYSA-N 0 3 405.550 -1.848 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N2CCC(N3CCS(=O)(=O)CC3)CC2)n1 ZINC000557663263 1071957017 /nfs/dbraw/zinc/95/70/17/1071957017.db2.gz YKKKYRNIOJFYQI-UHFFFAOYSA-N 0 3 413.548 -1.361 20 0 HAADHN CN1CCN(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1(C)C ZINC000557672968 1071957065 /nfs/dbraw/zinc/95/70/65/1071957065.db2.gz QKFUNBVVAPZWSR-SCFUHWHPSA-N 0 3 421.502 -1.124 20 0 HAADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000558021753 1071959594 /nfs/dbraw/zinc/95/95/94/1071959594.db2.gz LMWYHBFEZYPGLE-HNNXBMFYSA-N 0 3 411.547 -1.041 20 0 HAADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000558021755 1071959565 /nfs/dbraw/zinc/95/95/65/1071959565.db2.gz LMWYHBFEZYPGLE-OAHLLOKOSA-N 0 3 411.547 -1.041 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000558319693 1071962414 /nfs/dbraw/zinc/96/24/14/1071962414.db2.gz BOOPTMCBVLPQKI-DLBZAZTESA-N 0 3 409.531 -1.238 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000558319694 1071962342 /nfs/dbraw/zinc/96/23/42/1071962342.db2.gz BOOPTMCBVLPQKI-IAGOWNOFSA-N 0 3 409.531 -1.238 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000558319695 1071962521 /nfs/dbraw/zinc/96/25/21/1071962521.db2.gz BOOPTMCBVLPQKI-IRXDYDNUSA-N 0 3 409.531 -1.238 20 0 HAADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000558319697 1071962500 /nfs/dbraw/zinc/96/25/00/1071962500.db2.gz 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CN1CCN(C)[C@H](CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000559608079 1071968680 /nfs/dbraw/zinc/96/86/80/1071968680.db2.gz VHJYXGFYVQSJJY-QGZVFWFLSA-N 0 3 418.546 -1.533 20 0 HAADHN CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)N1CCN(C)CC1 ZINC000559613138 1071968732 /nfs/dbraw/zinc/96/87/32/1071968732.db2.gz IZZWPGLDTHREFE-MSOLQXFVSA-N 0 3 413.563 -1.474 20 0 HAADHN CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)N1CCN(C)CC1 ZINC000559613147 1071968838 /nfs/dbraw/zinc/96/88/38/1071968838.db2.gz IZZWPGLDTHREFE-QZTJIDSGSA-N 0 3 413.563 -1.474 20 0 HAADHN CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)N1CCN(C)CC1 ZINC000559613149 1071968863 /nfs/dbraw/zinc/96/88/63/1071968863.db2.gz IZZWPGLDTHREFE-ROUUACIJSA-N 0 3 413.563 -1.474 20 0 HAADHN CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)N1CCN(C)CC1 ZINC000559613152 1071968716 /nfs/dbraw/zinc/96/87/16/1071968716.db2.gz IZZWPGLDTHREFE-ZWKOTPCHSA-N 0 3 413.563 -1.474 20 0 HAADHN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000559771081 1071970576 /nfs/dbraw/zinc/97/05/76/1071970576.db2.gz QIODDYSXGPJYEH-UHFFFAOYSA-N 0 3 422.530 -1.967 20 0 HAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000559772264 1071971417 /nfs/dbraw/zinc/97/14/17/1071971417.db2.gz GLHAZUOFMBZIQF-UHFFFAOYSA-N 0 3 424.546 -1.721 20 0 HAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000559779831 1071971394 /nfs/dbraw/zinc/97/13/94/1071971394.db2.gz AUKYASHLDXUMGW-KRWDZBQOSA-N 0 3 409.531 -1.020 20 0 HAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000559779832 1071971512 /nfs/dbraw/zinc/97/15/12/1071971512.db2.gz AUKYASHLDXUMGW-QGZVFWFLSA-N 0 3 409.531 -1.020 20 0 HAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)CC1 ZINC000559849095 1071972001 /nfs/dbraw/zinc/97/20/01/1071972001.db2.gz MUICQMZVESVUPI-UHFFFAOYSA-N 0 3 424.546 -1.674 20 0 HAADHN CN(C)[C@]1(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCSC1 ZINC000559866424 1071973331 /nfs/dbraw/zinc/97/33/31/1071973331.db2.gz 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CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000560014373 1071974074 /nfs/dbraw/zinc/97/40/74/1071974074.db2.gz WTIQEFUCZGZBEO-JKSUJKDBSA-N 0 3 417.576 -1.084 20 0 HAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000560015115 1071974716 /nfs/dbraw/zinc/97/47/16/1071974716.db2.gz BYAFENVMGGMJEG-CABCVRRESA-N 0 3 403.549 -1.474 20 0 HAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000560015117 1071974603 /nfs/dbraw/zinc/97/46/03/1071974603.db2.gz BYAFENVMGGMJEG-GJZGRUSLSA-N 0 3 403.549 -1.474 20 0 HAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000560015118 1071974676 /nfs/dbraw/zinc/97/46/76/1071974676.db2.gz BYAFENVMGGMJEG-HUUCEWRRSA-N 0 3 403.549 -1.474 20 0 HAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000560015120 1071974589 /nfs/dbraw/zinc/97/45/89/1071974589.db2.gz BYAFENVMGGMJEG-LSDHHAIUSA-N 0 3 403.549 -1.474 20 0 HAADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000560017756 1071974694 /nfs/dbraw/zinc/97/46/94/1071974694.db2.gz XXBGBPSWBZDCED-HNNXBMFYSA-N 0 3 403.549 -1.520 20 0 HAADHN CCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000560017757 1071974647 /nfs/dbraw/zinc/97/46/47/1071974647.db2.gz XXBGBPSWBZDCED-OAHLLOKOSA-N 0 3 403.549 -1.520 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000560030677 1071974658 /nfs/dbraw/zinc/97/46/58/1071974658.db2.gz DZYRBRILOSYEKD-DLBZAZTESA-N 0 3 409.531 -1.164 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000560030678 1071974493 /nfs/dbraw/zinc/97/44/93/1071974493.db2.gz DZYRBRILOSYEKD-IAGOWNOFSA-N 0 3 409.531 -1.164 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000560030679 1071974705 /nfs/dbraw/zinc/97/47/05/1071974705.db2.gz DZYRBRILOSYEKD-IRXDYDNUSA-N 0 3 409.531 -1.164 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000560030680 1071974557 /nfs/dbraw/zinc/97/45/57/1071974557.db2.gz DZYRBRILOSYEKD-SJORKVTESA-N 0 3 409.531 -1.164 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000560030880 1071974630 /nfs/dbraw/zinc/97/46/30/1071974630.db2.gz JULYTUKKWIKJCZ-KRWDZBQOSA-N 0 3 422.574 -1.201 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000560030881 1071974530 /nfs/dbraw/zinc/97/45/30/1071974530.db2.gz JULYTUKKWIKJCZ-QGZVFWFLSA-N 0 3 422.574 -1.201 20 0 HAADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000560033695 1071974616 /nfs/dbraw/zinc/97/46/16/1071974616.db2.gz NUWNHNXBKSNRPJ-KRWDZBQOSA-N 0 3 410.563 -1.344 20 0 HAADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000560033697 1071974465 /nfs/dbraw/zinc/97/44/65/1071974465.db2.gz NUWNHNXBKSNRPJ-QGZVFWFLSA-N 0 3 410.563 -1.344 20 0 HAADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)CN1CCN(C)CC1 ZINC000560037488 1071975187 /nfs/dbraw/zinc/97/51/87/1071975187.db2.gz ZCDPTDJEDTVLPR-HNNXBMFYSA-N 0 3 405.503 -1.405 20 0 HAADHN C[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)CN1CCN(C)CC1 ZINC000560037489 1071975111 /nfs/dbraw/zinc/97/51/11/1071975111.db2.gz ZCDPTDJEDTVLPR-OAHLLOKOSA-N 0 3 405.503 -1.405 20 0 HAADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000560256821 1071975942 /nfs/dbraw/zinc/97/59/42/1071975942.db2.gz OMFDJHZTPNHGPC-INIZCTEOSA-N 0 3 423.514 -1.495 20 0 HAADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000560256822 1071976039 /nfs/dbraw/zinc/97/60/39/1071976039.db2.gz OMFDJHZTPNHGPC-MRXNPFEDSA-N 0 3 423.514 -1.495 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000560257521 1070858140 /nfs/dbraw/zinc/85/81/40/1070858140.db2.gz AAAHIHXIFWSHJH-AWEZNQCLSA-N 0 3 403.487 -1.004 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000560257527 1071975965 /nfs/dbraw/zinc/97/59/65/1071975965.db2.gz AAAHIHXIFWSHJH-CQSZACIVSA-N 0 3 403.487 -1.004 20 0 HAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000560263289 1070858271 /nfs/dbraw/zinc/85/82/71/1070858271.db2.gz YBFBXYYXCRSRRV-UHFFFAOYSA-N 0 3 403.487 -1.003 20 0 HAADHN O=C(NC[C@]1(O)CN2CCC1CC2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000560505547 1071977039 /nfs/dbraw/zinc/97/70/39/1071977039.db2.gz PCHAMIXFMRVICH-IBGZPJMESA-N 0 3 422.507 -1.006 20 0 HAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000560505548 1071977172 /nfs/dbraw/zinc/97/71/72/1071977172.db2.gz PCHAMIXFMRVICH-LJQANCHMSA-N 0 3 422.507 -1.006 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000560915365 1071980252 /nfs/dbraw/zinc/98/02/52/1071980252.db2.gz GFCKBAOPDSNGNF-HNNXBMFYSA-N 0 3 419.486 -1.619 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCNC(=O)c1cnccn1 ZINC000560915366 1071980149 /nfs/dbraw/zinc/98/01/49/1071980149.db2.gz GFCKBAOPDSNGNF-OAHLLOKOSA-N 0 3 419.486 -1.619 20 0 HAADHN CN(C)CC(=O)N1CCN(c2cncc(N3CCN(C(=O)CN(C)C)CC3)n2)CC1 ZINC000561141184 1071982062 /nfs/dbraw/zinc/98/20/62/1071982062.db2.gz FEVTZLRQJKMUJH-UHFFFAOYSA-N 0 3 418.546 -1.103 20 0 HAADHN CCS(=O)(=O)N1CCC(CNc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000561263904 1071982905 /nfs/dbraw/zinc/98/29/05/1071982905.db2.gz GTUZELDPTLEGFO-UHFFFAOYSA-N 0 3 401.537 -1.165 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(NCCNS(=O)(=O)c2cccs2)n1 ZINC000561267939 1071982785 /nfs/dbraw/zinc/98/27/85/1071982785.db2.gz OCXPQDVDUGDNHC-UHFFFAOYSA-N 0 3 401.518 -1.186 20 0 HAADHN COCCCS(=O)(=O)N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000561277542 1071982559 /nfs/dbraw/zinc/98/25/59/1071982559.db2.gz VRQGKFGOCVOMHM-UHFFFAOYSA-N 0 3 417.536 -1.572 20 0 HAADHN O=C(CN1CN=NC1=O)NCCN(CCN1CCCCC1)C(=O)CN1CN=NC1=O ZINC000561288120 1071983016 /nfs/dbraw/zinc/98/30/16/1071983016.db2.gz YNVDTJPKSOSDSG-UHFFFAOYSA-N 0 3 421.462 -1.588 20 0 HAADHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000561309404 1071983672 /nfs/dbraw/zinc/98/36/72/1071983672.db2.gz IBLBRIFLHVLVDG-AJKMGBEJSA-N 0 3 422.486 -1.281 20 0 HAADHN C[C@H]1CN(CC(C)(C)O)CCN1c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000561309405 1071983539 /nfs/dbraw/zinc/98/35/39/1071983539.db2.gz IBLBRIFLHVLVDG-URQYDQELSA-N 0 3 422.486 -1.281 20 0 HAADHN C[C@H]([C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000561368094 1071983590 /nfs/dbraw/zinc/98/35/90/1071983590.db2.gz VNSKMBUZEYOGBU-DLBZAZTESA-N 0 3 409.531 -1.022 20 0 HAADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H](C)N1CCOCC1 ZINC000561368095 1071983411 /nfs/dbraw/zinc/98/34/11/1071983411.db2.gz VNSKMBUZEYOGBU-IAGOWNOFSA-N 0 3 409.531 -1.022 20 0 HAADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000561368096 1071983712 /nfs/dbraw/zinc/98/37/12/1071983712.db2.gz VNSKMBUZEYOGBU-IRXDYDNUSA-N 0 3 409.531 -1.022 20 0 HAADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)N1CCOCC1 ZINC000561368097 1071983726 /nfs/dbraw/zinc/98/37/26/1071983726.db2.gz VNSKMBUZEYOGBU-SJORKVTESA-N 0 3 409.531 -1.022 20 0 HAADHN COc1ccc(CNc2nc(NCCO)nc(NC(C)C)n2)cc1S(N)(=O)=O ZINC000561700639 1071987244 /nfs/dbraw/zinc/98/72/44/1071987244.db2.gz JXZRTIVXAATYBN-UHFFFAOYSA-N 0 3 411.488 -1.370 20 0 HAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000561884255 1071989640 /nfs/dbraw/zinc/98/96/40/1071989640.db2.gz XJYLIFIVQNLKQL-HNNXBMFYSA-N 0 3 405.499 -1.120 20 0 HAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000561884263 1071989588 /nfs/dbraw/zinc/98/95/88/1071989588.db2.gz XJYLIFIVQNLKQL-OAHLLOKOSA-N 0 3 405.499 -1.120 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000562025113 1071990627 /nfs/dbraw/zinc/99/06/27/1071990627.db2.gz PEHZBVKAQAURJI-INIZCTEOSA-N 0 3 407.515 -1.268 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000562025118 1071990847 /nfs/dbraw/zinc/99/08/47/1071990847.db2.gz PEHZBVKAQAURJI-MRXNPFEDSA-N 0 3 407.515 -1.268 20 0 HAADHN CCCN1CCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1=O ZINC000562157957 1071992284 /nfs/dbraw/zinc/99/22/84/1071992284.db2.gz RVYIDPWNOMTKMS-UHFFFAOYSA-N 0 3 411.547 -1.036 20 0 HAADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000562161251 1071992148 /nfs/dbraw/zinc/99/21/48/1071992148.db2.gz RJWALKNCPFQGQG-KRWDZBQOSA-N 0 3 411.547 -1.038 20 0 HAADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000562161252 1071992050 /nfs/dbraw/zinc/99/20/50/1071992050.db2.gz RJWALKNCPFQGQG-QGZVFWFLSA-N 0 3 411.547 -1.038 20 0 HAADHN CNS(=O)(=O)[C@@H]1CCCN(C[C@@H](O)CN2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000562493061 1071992942 /nfs/dbraw/zinc/99/29/42/1071992942.db2.gz ZYBYYHBFLOSGGI-QKDCVEJESA-N 0 3 412.578 -1.626 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000563714819 1071995551 /nfs/dbraw/zinc/99/55/51/1071995551.db2.gz GZEXVUWPSFNNCR-GFCCVEGCSA-N 0 3 402.525 -1.956 20 0 HAADHN CC1CCN(CCNC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000563947944 1071996616 /nfs/dbraw/zinc/99/66/16/1071996616.db2.gz JOIKIVLCQBFXHJ-UHFFFAOYSA-N 0 3 421.502 -1.677 20 0 HAADHN CN(C)c1nccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000564372279 1071999687 /nfs/dbraw/zinc/99/96/87/1071999687.db2.gz PGPCERQSKLNTCR-HNNXBMFYSA-N 0 3 403.487 -1.076 20 0 HAADHN CN(C)c1nccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000564372298 1071999533 /nfs/dbraw/zinc/99/95/33/1071999533.db2.gz PGPCERQSKLNTCR-OAHLLOKOSA-N 0 3 403.487 -1.076 20 0 HAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000565238042 1072000587 /nfs/dbraw/zinc/00/05/87/1072000587.db2.gz FJWHLLAOBOFOFC-KLHDSHLOSA-N 0 3 414.528 -1.575 20 0 HAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000565238051 1072000827 /nfs/dbraw/zinc/00/08/27/1072000827.db2.gz FJWHLLAOBOFOFC-LVQVYYBASA-N 0 3 414.528 -1.575 20 0 HAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000565238052 1072000558 /nfs/dbraw/zinc/00/05/58/1072000558.db2.gz FJWHLLAOBOFOFC-XUWVNRHRSA-N 0 3 414.528 -1.575 20 0 HAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000565238054 1072000786 /nfs/dbraw/zinc/00/07/86/1072000786.db2.gz FJWHLLAOBOFOFC-ZJIFWQFVSA-N 0 3 414.528 -1.575 20 0 HAADHN CNC(=O)NCC(=O)N(C)CCN(CCN1CCCCC1)C(=O)CNC(=O)NC ZINC000565507600 1072001161 /nfs/dbraw/zinc/00/11/61/1072001161.db2.gz FLOBFOFGKYWDGI-UHFFFAOYSA-N 0 3 413.523 -1.383 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000566023547 1072002833 /nfs/dbraw/zinc/00/28/33/1072002833.db2.gz HODLLLLQWSKQDB-INIZCTEOSA-N 0 3 416.482 -1.307 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000566023548 1072002875 /nfs/dbraw/zinc/00/28/75/1072002875.db2.gz HODLLLLQWSKQDB-MRXNPFEDSA-N 0 3 416.482 -1.307 20 0 HAADHN COc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000566495612 1072003349 /nfs/dbraw/zinc/00/33/49/1072003349.db2.gz HMGVBJOVMMAHPF-AAEUAGOBSA-N 0 3 412.468 -1.248 20 0 HAADHN COc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000566495613 1072003173 /nfs/dbraw/zinc/00/31/73/1072003173.db2.gz HMGVBJOVMMAHPF-DGCLKSJQSA-N 0 3 412.468 -1.248 20 0 HAADHN COc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000566495614 1072003566 /nfs/dbraw/zinc/00/35/66/1072003566.db2.gz HMGVBJOVMMAHPF-WCQYABFASA-N 0 3 412.468 -1.248 20 0 HAADHN COc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000566495615 1072003446 /nfs/dbraw/zinc/00/34/46/1072003446.db2.gz HMGVBJOVMMAHPF-YPMHNXCESA-N 0 3 412.468 -1.248 20 0 HAADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000566495946 1072003491 /nfs/dbraw/zinc/00/34/91/1072003491.db2.gz MNBOQLWXRLUTLX-DZGCQCFKSA-N 0 3 413.486 -1.744 20 0 HAADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000566495947 1072003542 /nfs/dbraw/zinc/00/35/42/1072003542.db2.gz MNBOQLWXRLUTLX-HIFRSBDPSA-N 0 3 413.486 -1.744 20 0 HAADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000566495948 1072003517 /nfs/dbraw/zinc/00/35/17/1072003517.db2.gz MNBOQLWXRLUTLX-UKRRQHHQSA-N 0 3 413.486 -1.744 20 0 HAADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000566495949 1072003405 /nfs/dbraw/zinc/00/34/05/1072003405.db2.gz MNBOQLWXRLUTLX-ZFWWWQNUSA-N 0 3 413.486 -1.744 20 0 HAADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566496632 1072003281 /nfs/dbraw/zinc/00/32/81/1072003281.db2.gz SSLICXZGSDVLNM-JKOKRWQUSA-N 0 3 409.468 -1.777 20 0 HAADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566496633 1072003470 /nfs/dbraw/zinc/00/34/70/1072003470.db2.gz SSLICXZGSDVLNM-SUHUHFCYSA-N 0 3 409.468 -1.777 20 0 HAADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566496634 1072003374 /nfs/dbraw/zinc/00/33/74/1072003374.db2.gz SSLICXZGSDVLNM-VHRBIJSZSA-N 0 3 409.468 -1.777 20 0 HAADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566496636 1072003235 /nfs/dbraw/zinc/00/32/35/1072003235.db2.gz SSLICXZGSDVLNM-ZKYQVNSYSA-N 0 3 409.468 -1.777 20 0 HAADHN CCCS(=O)(=O)N1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000566553487 1072003311 /nfs/dbraw/zinc/00/33/11/1072003311.db2.gz VQFYFNLYHKEBKE-UHFFFAOYSA-N 0 3 401.537 -1.022 20 0 HAADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000566646315 1072004046 /nfs/dbraw/zinc/00/40/46/1072004046.db2.gz QQQBTJJDLOITOH-OAHLLOKOSA-N 0 3 403.549 -1.378 20 0 HAADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1CC(C)(C)O ZINC000567240129 1072006032 /nfs/dbraw/zinc/00/60/32/1072006032.db2.gz IGPGQQAVCVLNQO-HNNXBMFYSA-N 0 3 411.547 -1.041 20 0 HAADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1CC(C)(C)O ZINC000567240130 1072006110 /nfs/dbraw/zinc/00/61/10/1072006110.db2.gz IGPGQQAVCVLNQO-OAHLLOKOSA-N 0 3 411.547 -1.041 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000567259141 1072006276 /nfs/dbraw/zinc/00/62/76/1072006276.db2.gz JFTQPMZNHATDDM-AWEZNQCLSA-N 0 3 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COCCN(C)CCN1C[C@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1=O ZINC000567520319 1072006777 /nfs/dbraw/zinc/00/67/77/1072006777.db2.gz KNSFQHYXQVDUSU-CYBMUJFWSA-N 0 3 416.504 -2.006 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1=O ZINC000567520320 1072006526 /nfs/dbraw/zinc/00/65/26/1072006526.db2.gz KNSFQHYXQVDUSU-ZDUSSCGKSA-N 0 3 416.504 -2.006 20 0 HAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CCN2C1=O ZINC000567522259 1072006654 /nfs/dbraw/zinc/00/66/54/1072006654.db2.gz KLPJUCIEZSNYSA-CORIIIEPSA-N 0 3 421.479 -1.543 20 0 HAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CCN2C1=O ZINC000567522260 1072007366 /nfs/dbraw/zinc/00/73/66/1072007366.db2.gz KLPJUCIEZSNYSA-NJZAAPMLSA-N 0 3 421.479 -1.543 20 0 HAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CCN2C1=O ZINC000567522261 1072007302 /nfs/dbraw/zinc/00/73/02/1072007302.db2.gz KLPJUCIEZSNYSA-OSAQELSMSA-N 0 3 421.479 -1.543 20 0 HAADHN 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ZINC000569237075 1072011759 /nfs/dbraw/zinc/01/17/59/1072011759.db2.gz IERBQJKASHMNHN-RYUDHWBXSA-N 0 3 402.498 -1.131 20 0 HAADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569237076 1072011876 /nfs/dbraw/zinc/01/18/76/1072011876.db2.gz IERBQJKASHMNHN-VXGBXAGGSA-N 0 3 402.498 -1.131 20 0 HAADHN CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000569297230 1072012142 /nfs/dbraw/zinc/01/21/42/1072012142.db2.gz CUZLSTUJLJDDEB-UHFFFAOYSA-N 0 3 424.549 -1.416 20 0 HAADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000569466435 1072012526 /nfs/dbraw/zinc/01/25/26/1072012526.db2.gz ZMPKCDRHTBAXHR-INIZCTEOSA-N 0 3 423.514 -1.493 20 0 HAADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCOCC1 ZINC000569466436 1072012662 /nfs/dbraw/zinc/01/26/62/1072012662.db2.gz ZMPKCDRHTBAXHR-MRXNPFEDSA-N 0 3 423.514 -1.493 20 0 HAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000570652397 1072016073 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FPGRLULUESUFEY-HOTGVXAUSA-N 0 3 423.514 -1.495 20 0 HAADHN CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N1CCOCC1 ZINC000570843650 1072016672 /nfs/dbraw/zinc/01/66/72/1072016672.db2.gz FPGRLULUESUFEY-HZPDHXFCSA-N 0 3 423.514 -1.495 20 0 HAADHN CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N1CCOCC1 ZINC000570843651 1072016822 /nfs/dbraw/zinc/01/68/22/1072016822.db2.gz FPGRLULUESUFEY-JKSUJKDBSA-N 0 3 423.514 -1.495 20 0 HAADHN COCCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000571002740 1072017321 /nfs/dbraw/zinc/01/73/21/1072017321.db2.gz PRABSMOLEUCVQI-INIZCTEOSA-N 0 3 406.487 -1.089 20 0 HAADHN COCCn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000571002744 1072017898 /nfs/dbraw/zinc/01/78/98/1072017898.db2.gz PRABSMOLEUCVQI-MRXNPFEDSA-N 0 3 406.487 -1.089 20 0 HAADHN CC(C)Nc1nc(NCCO)nc(N2CCN(S(=O)(=O)c3cccnc3)CC2)n1 ZINC000571667259 1072019007 /nfs/dbraw/zinc/01/90/07/1072019007.db2.gz BRMVPMNRFLBHEE-UHFFFAOYSA-N 0 3 422.515 -1.154 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000571945563 1072018633 /nfs/dbraw/zinc/01/86/33/1072018633.db2.gz MXNIAFJYTRFWLZ-MSOLQXFVSA-N 0 3 413.563 -1.472 20 0 HAADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000571945565 1072018776 /nfs/dbraw/zinc/01/87/76/1072018776.db2.gz MXNIAFJYTRFWLZ-QZTJIDSGSA-N 0 3 413.563 -1.472 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000571945566 1072019505 /nfs/dbraw/zinc/01/95/05/1072019505.db2.gz MXNIAFJYTRFWLZ-ROUUACIJSA-N 0 3 413.563 -1.472 20 0 HAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000571945568 1072019588 /nfs/dbraw/zinc/01/95/88/1072019588.db2.gz MXNIAFJYTRFWLZ-ZWKOTPCHSA-N 0 3 413.563 -1.472 20 0 HAADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000572049383 1071376894 /nfs/dbraw/zinc/37/68/94/1071376894.db2.gz NWJCMRGMGCHQJY-UHFFFAOYSA-N 0 3 416.482 -1.306 20 0 HAADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000572183915 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Cn1cnc2c1c(=O)n(CC(=O)N1CCC(N3CCC[C@@H]3C(N)=O)CC1)c(=O)n2C ZINC000623203911 1071558180 /nfs/dbraw/zinc/55/81/80/1071558180.db2.gz PCXMRITZLYJVSW-CYBMUJFWSA-N 0 3 417.470 -1.626 20 0 HAADHN Cn1cnc2c1c(=O)n(CC(=O)N1CCC(N3CCC[C@H]3C(N)=O)CC1)c(=O)n2C ZINC000623203912 1071557996 /nfs/dbraw/zinc/55/79/96/1071557996.db2.gz PCXMRITZLYJVSW-ZDUSSCGKSA-N 0 3 417.470 -1.626 20 0 HAADHN O=C(N[C@H](CO)CN1CCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000646220011 1072047139 /nfs/dbraw/zinc/04/71/39/1072047139.db2.gz BTPBGXGRRULTMR-HNNXBMFYSA-N 0 3 410.496 -1.006 20 0 HAADHN O=C(N[C@@H](CO)CN1CCCC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000646220012 1072047185 /nfs/dbraw/zinc/04/71/85/1072047185.db2.gz BTPBGXGRRULTMR-OAHLLOKOSA-N 0 3 410.496 -1.006 20 0 HAADHN Cn1c2ccc(NC(=O)CCC(=O)N[C@@H](CO)CN3CCCC3)nc2n(C)c1=O ZINC000646222798 1071397661 /nfs/dbraw/zinc/39/76/61/1071397661.db2.gz WVUICTHURDQIGC-CYBMUJFWSA-N 0 3 404.471 -1.015 20 0 HAADHN Cn1c2ccc(NC(=O)CCC(=O)N[C@H](CO)CN3CCCC3)nc2n(C)c1=O ZINC000646222799 1071397713 /nfs/dbraw/zinc/39/77/13/1071397713.db2.gz WVUICTHURDQIGC-ZDUSSCGKSA-N 0 3 404.471 -1.015 20 0 HAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000647810199 1072049909 /nfs/dbraw/zinc/04/99/09/1072049909.db2.gz JWWBHSQHPJDUED-FGTMMUONSA-N 0 3 414.547 -1.142 20 0 HAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC000647810200 1072049829 /nfs/dbraw/zinc/04/98/29/1072049829.db2.gz JWWBHSQHPJDUED-KURKYZTESA-N 0 3 414.547 -1.142 20 0 HAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC000647810201 1072050580 /nfs/dbraw/zinc/05/05/80/1072050580.db2.gz JWWBHSQHPJDUED-KZNAEPCWSA-N 0 3 414.547 -1.142 20 0 HAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000647810202 1072050505 /nfs/dbraw/zinc/05/05/05/1072050505.db2.gz JWWBHSQHPJDUED-SQNIBIBYSA-N 0 3 414.547 -1.142 20 0 HAADHN O=C(COCC(=O)NC[C@H]1CN2CCN1CCC2)NC[C@@H]1CN2CCN1CCC2 ZINC000670407897 1071504934 /nfs/dbraw/zinc/50/49/34/1071504934.db2.gz CCLVUVJESNCOAM-HDICACEKSA-N 0 3 408.547 -1.985 20 0 HAADHN O=C(COCC(=O)NC[C@@H]1CN2CCN1CCC2)NC[C@@H]1CN2CCN1CCC2 ZINC000670407898 1071505057 /nfs/dbraw/zinc/50/50/57/1071505057.db2.gz CCLVUVJESNCOAM-QZTJIDSGSA-N 0 3 408.547 -1.985 20 0 HAADHN O=C(COCC(=O)NC[C@H]1CN2CCN1CCC2)NC[C@H]1CN2CCN1CCC2 ZINC000670407899 1071505115 /nfs/dbraw/zinc/50/51/15/1071505115.db2.gz CCLVUVJESNCOAM-ROUUACIJSA-N 0 3 408.547 -1.985 20 0 HAADHN CC(C)(CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)N1CCCCC1 ZINC000670572597 1071522939 /nfs/dbraw/zinc/52/29/39/1071522939.db2.gz QXZLXRORMOGHNS-UHFFFAOYSA-N 0 3 406.491 -1.275 20 0 HAADHN CC(C)[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)N1CCN(C)CC1 ZINC000670833543 1071542454 /nfs/dbraw/zinc/54/24/54/1071542454.db2.gz NLZCNEODFSUCSM-KRWDZBQOSA-N 0 3 410.563 -1.345 20 0 HAADHN CC(C)[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)N1CCN(C)CC1 ZINC000670833544 1071542382 /nfs/dbraw/zinc/54/23/82/1071542382.db2.gz NLZCNEODFSUCSM-QGZVFWFLSA-N 0 3 410.563 -1.345 20 0 HAADHN CC1CCN(CCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000670983700 1071546848 /nfs/dbraw/zinc/54/68/48/1071546848.db2.gz NIQGFHHYQPPTLP-UHFFFAOYSA-N 0 3 403.549 -1.472 20 0 HAADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000670984931 1071547040 /nfs/dbraw/zinc/54/70/40/1071547040.db2.gz NIJMSKQEMDPPDN-HNNXBMFYSA-N 0 3 403.549 -1.472 20 0 HAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000670984932 1071546816 /nfs/dbraw/zinc/54/68/16/1071546816.db2.gz NIJMSKQEMDPPDN-OAHLLOKOSA-N 0 3 403.549 -1.472 20 0 HAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000670997742 1071547598 /nfs/dbraw/zinc/54/75/98/1071547598.db2.gz GPWMPNZLAYIVJA-HNNXBMFYSA-N 0 3 403.549 -1.330 20 0 HAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000670997743 1071547429 /nfs/dbraw/zinc/54/74/29/1071547429.db2.gz GPWMPNZLAYIVJA-OAHLLOKOSA-N 0 3 403.549 -1.330 20 0 HAADHN CN(C)[C@]1(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000671071727 1071550519 /nfs/dbraw/zinc/55/05/19/1071550519.db2.gz NKZZUGYKQROENJ-INIZCTEOSA-N 0 3 421.589 -1.767 20 0 HAADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000671071729 1071550549 /nfs/dbraw/zinc/55/05/49/1071550549.db2.gz NKZZUGYKQROENJ-MRXNPFEDSA-N 0 3 421.589 -1.767 20 0 HAADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000671172397 1071553967 /nfs/dbraw/zinc/55/39/67/1071553967.db2.gz VHIPLLCBJUEZBF-CVEARBPZSA-N 0 3 417.576 -1.085 20 0 HAADHN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000671172398 1071554019 /nfs/dbraw/zinc/55/40/19/1071554019.db2.gz VHIPLLCBJUEZBF-HOTGVXAUSA-N 0 3 417.576 -1.085 20 0 HAADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000671172399 1071553872 /nfs/dbraw/zinc/55/38/72/1071553872.db2.gz VHIPLLCBJUEZBF-HZPDHXFCSA-N 0 3 417.576 -1.085 20 0 HAADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000671172400 1071553649 /nfs/dbraw/zinc/55/36/49/1071553649.db2.gz VHIPLLCBJUEZBF-JKSUJKDBSA-N 0 3 417.576 -1.085 20 0 HAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356167 1071560453 /nfs/dbraw/zinc/56/04/53/1071560453.db2.gz AVPROPJOTDZJSV-HNNXBMFYSA-N 0 3 403.549 -1.330 20 0 HAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356170 1071560523 /nfs/dbraw/zinc/56/05/23/1071560523.db2.gz AVPROPJOTDZJSV-OAHLLOKOSA-N 0 3 403.549 -1.330 20 0 HAADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000671356201 1071583475 /nfs/dbraw/zinc/58/34/75/1071583475.db2.gz BWKLNAZSOKRBDF-HNNXBMFYSA-N 0 3 401.533 -1.624 20 0 HAADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000671356202 1071583402 /nfs/dbraw/zinc/58/34/02/1071583402.db2.gz BWKLNAZSOKRBDF-OAHLLOKOSA-N 0 3 401.533 -1.624 20 0 HAADHN COCCN(CCN(C)C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356206 1071583464 /nfs/dbraw/zinc/58/34/64/1071583464.db2.gz BZXAGZMOSOOWCZ-UHFFFAOYSA-N 0 3 407.537 -2.284 20 0 HAADHN CC(C)N1CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671356768 1071561689 /nfs/dbraw/zinc/56/16/89/1071561689.db2.gz BBYQAZYBJZBURI-UHFFFAOYSA-N 0 3 403.549 -1.378 20 0 HAADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CCC(C)CC1 ZINC000671356842 1071562305 /nfs/dbraw/zinc/56/23/05/1071562305.db2.gz BTVOPBORAJJQPT-INIZCTEOSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CCC(C)CC1 ZINC000671356854 1071562215 /nfs/dbraw/zinc/56/22/15/1071562215.db2.gz BTVOPBORAJJQPT-MRXNPFEDSA-N 0 3 417.576 -1.084 20 0 HAADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000671356857 1071562182 /nfs/dbraw/zinc/56/21/82/1071562182.db2.gz BUNBHKXTPDNWBA-INIZCTEOSA-N 0 3 415.560 -1.233 20 0 HAADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000671356860 1071562172 /nfs/dbraw/zinc/56/21/72/1071562172.db2.gz BUNBHKXTPDNWBA-MRXNPFEDSA-N 0 3 415.560 -1.233 20 0 HAADHN C[C@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000671356922 1071561023 /nfs/dbraw/zinc/56/10/23/1071561023.db2.gz BXUUNIOURSNZHZ-AWEZNQCLSA-N 0 3 401.533 -1.554 20 0 HAADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000671356926 1071561775 /nfs/dbraw/zinc/56/17/75/1071561775.db2.gz BXUUNIOURSNZHZ-CQSZACIVSA-N 0 3 401.533 -1.554 20 0 HAADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000671356955 1071561751 /nfs/dbraw/zinc/56/17/51/1071561751.db2.gz SVLKYZPMBLIAGJ-HNNXBMFYSA-N 0 3 401.533 -1.720 20 0 HAADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000671356957 1071561580 /nfs/dbraw/zinc/56/15/80/1071561580.db2.gz SVLKYZPMBLIAGJ-OAHLLOKOSA-N 0 3 401.533 -1.720 20 0 HAADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356973 1071561731 /nfs/dbraw/zinc/56/17/31/1071561731.db2.gz TUNDBYPIVWZMKX-HNNXBMFYSA-N 0 3 403.549 -1.330 20 0 HAADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356974 1071561661 /nfs/dbraw/zinc/56/16/61/1071561661.db2.gz TUNDBYPIVWZMKX-OAHLLOKOSA-N 0 3 403.549 -1.330 20 0 HAADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000671356985 1071561802 /nfs/dbraw/zinc/56/18/02/1071561802.db2.gz CCPNGIBBKCGMBA-CVEARBPZSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000671357078 1071560914 /nfs/dbraw/zinc/56/09/14/1071560914.db2.gz CCPNGIBBKCGMBA-HOTGVXAUSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](C)C1 ZINC000671357079 1071560901 /nfs/dbraw/zinc/56/09/01/1071560901.db2.gz CCPNGIBBKCGMBA-HZPDHXFCSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N1CCC[C@H](C)C1 ZINC000671357080 1071560963 /nfs/dbraw/zinc/56/09/63/1071560963.db2.gz CCPNGIBBKCGMBA-JKSUJKDBSA-N 0 3 417.576 -1.084 20 0 HAADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357143 1071560942 /nfs/dbraw/zinc/56/09/42/1071560942.db2.gz DJMHYIBSFNIONV-HNNXBMFYSA-N 0 3 417.576 -1.084 20 0 HAADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357146 1071560921 /nfs/dbraw/zinc/56/09/21/1071560921.db2.gz DJMHYIBSFNIONV-OAHLLOKOSA-N 0 3 417.576 -1.084 20 0 HAADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357399 1071566708 /nfs/dbraw/zinc/56/67/08/1071566708.db2.gz IZAFPDFGPFIORO-CVEARBPZSA-N 0 3 415.560 -1.235 20 0 HAADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357400 1071566693 /nfs/dbraw/zinc/56/66/93/1071566693.db2.gz JBHRQWFAHJCMIX-CVEARBPZSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357401 1071566583 /nfs/dbraw/zinc/56/65/83/1071566583.db2.gz JBHRQWFAHJCMIX-HOTGVXAUSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357402 1071566630 /nfs/dbraw/zinc/56/66/30/1071566630.db2.gz JBHRQWFAHJCMIX-HZPDHXFCSA-N 0 3 417.576 -1.084 20 0 HAADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671357403 1071583885 /nfs/dbraw/zinc/58/38/85/1071583885.db2.gz JBHRQWFAHJCMIX-JKSUJKDBSA-N 0 3 417.576 -1.084 20 0 HAADHN COCCN1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671358007 1071564373 /nfs/dbraw/zinc/56/43/73/1071564373.db2.gz HPZPRFSWDYTUBG-UHFFFAOYSA-N 0 3 419.548 -2.093 20 0 HAADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359397 1071569175 /nfs/dbraw/zinc/56/91/75/1071569175.db2.gz RASAGBKOOGFPKV-UHFFFAOYSA-N 0 3 405.565 -1.274 20 0 HAADHN COCCN1CCC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000672210073 1071590026 /nfs/dbraw/zinc/59/00/26/1071590026.db2.gz NOKFJPOOTRTMFN-AJKMGBEJSA-N 0 3 408.459 -1.040 20 0 HAADHN COCCN1CCC[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000672210074 1071590002 /nfs/dbraw/zinc/59/00/02/1071590002.db2.gz NOKFJPOOTRTMFN-URQYDQELSA-N 0 3 408.459 -1.040 20 0 HAADHN O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)N1CCOCC1 ZINC000672307704 1071590602 /nfs/dbraw/zinc/59/06/02/1071590602.db2.gz JYIOAGIJXPXTGB-KRWDZBQOSA-N 0 3 407.515 -1.410 20 0 HAADHN O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)N1CCOCC1 ZINC000672307705 1071590970 /nfs/dbraw/zinc/59/09/70/1071590970.db2.gz JYIOAGIJXPXTGB-QGZVFWFLSA-N 0 3 407.515 -1.410 20 0 HAADHN O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672311031 1071590624 /nfs/dbraw/zinc/59/06/24/1071590624.db2.gz SHJTXUJNBVMQRR-KRWDZBQOSA-N 0 3 407.515 -1.410 20 0 HAADHN O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672311032 1071590850 /nfs/dbraw/zinc/59/08/50/1071590850.db2.gz SHJTXUJNBVMQRR-QGZVFWFLSA-N 0 3 407.515 -1.410 20 0 HAADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000672311286 1071590786 /nfs/dbraw/zinc/59/07/86/1071590786.db2.gz BXZYPMBZXIUGCB-INIZCTEOSA-N 0 3 421.498 -1.884 20 0 HAADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000672311295 1071590911 /nfs/dbraw/zinc/59/09/11/1071590911.db2.gz BXZYPMBZXIUGCB-MRXNPFEDSA-N 0 3 421.498 -1.884 20 0 HAADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)C2 ZINC000672312360 1071590995 /nfs/dbraw/zinc/59/09/95/1071590995.db2.gz IHLOXZVJNKKJCW-AWEZNQCLSA-N 0 3 419.486 -1.924 20 0 HAADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)C2 ZINC000672312361 1071590944 /nfs/dbraw/zinc/59/09/44/1071590944.db2.gz IHLOXZVJNKKJCW-CQSZACIVSA-N 0 3 419.486 -1.924 20 0 HAADHN CN(CCN(CCN1CCCC1)C(=O)C1(NC(N)=O)CC1)C(=O)C1(NC(N)=O)CC1 ZINC000672467109 1071592430 /nfs/dbraw/zinc/59/24/30/1071592430.db2.gz SAQZPUSGWPOMTC-UHFFFAOYSA-N 0 3 423.518 -1.229 20 0 HAADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000672697332 1071596252 /nfs/dbraw/zinc/59/62/52/1071596252.db2.gz XTQSKAZEFLUBBJ-KRWDZBQOSA-N 0 3 409.531 -1.020 20 0 HAADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000672697334 1071596413 /nfs/dbraw/zinc/59/64/13/1071596413.db2.gz 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O=C(NCC1(O)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001044229438 1072060153 /nfs/dbraw/zinc/06/01/53/1072060153.db2.gz VVZKLQIDEOFLEQ-SBCRVSIYSA-N 0 3 403.479 -1.038 20 0 HAADHN O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001044235961 1072060862 /nfs/dbraw/zinc/06/08/62/1072060862.db2.gz LQONWBWCXWNPBE-AULPLIOUSA-N 0 3 403.479 -1.038 20 0 HAADHN O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001044235962 1072060663 /nfs/dbraw/zinc/06/06/63/1072060663.db2.gz LQONWBWCXWNPBE-SBCRVSIYSA-N 0 3 403.479 -1.038 20 0 HAADHN Cn1c(CNC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCO2)cc(=O)n(C)c1=O ZINC001051722130 1072074265 /nfs/dbraw/zinc/07/42/65/1072074265.db2.gz FLAWCNDQBBABGY-CNRFMZSYSA-N 0 3 404.467 -1.176 20 0 HAADHN Cn1c(CNC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCO2)cc(=O)n(C)c1=O ZINC001051722138 1072074338 /nfs/dbraw/zinc/07/43/38/1072074338.db2.gz FLAWCNDQBBABGY-NTCWUJLTSA-N 0 3 404.467 -1.176 20 0 HAADHN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070239262 1072085606 /nfs/dbraw/zinc/08/56/06/1072085606.db2.gz DRZFTQBMALXDEZ-MFAUZPSPSA-N 0 3 415.454 -1.405 20 0 HAADHN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070241545 1072085652 /nfs/dbraw/zinc/08/56/52/1072085652.db2.gz LIMUCPSMTMUNCW-ZOFXXKQRSA-N 0 3 402.459 -1.037 20 0 HAADHN O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1C[C@@H](NCCN2C(=O)CNC2=O)[C@@H](n2ccnn2)C1 ZINC001070281420 1072086257 /nfs/dbraw/zinc/08/62/57/1072086257.db2.gz XBZGEMMHLYTPNX-ZSAUSMIDSA-N 0 3 403.443 -1.261 20 0 HAADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC001118442545 1072124159 /nfs/dbraw/zinc/12/41/59/1072124159.db2.gz CRTNMPWIEUQSQM-CVEARBPZSA-N 0 3 401.475 -1.187 20 0 HAADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC001118442546 1072124271 /nfs/dbraw/zinc/12/42/71/1072124271.db2.gz CRTNMPWIEUQSQM-HOTGVXAUSA-N 0 3 401.475 -1.187 20 0 HAADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC001118442547 1072124258 /nfs/dbraw/zinc/12/42/58/1072124258.db2.gz CRTNMPWIEUQSQM-HZPDHXFCSA-N 0 3 401.475 -1.187 20 0 HAADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cn1 ZINC001118442548 1072124234 /nfs/dbraw/zinc/12/42/34/1072124234.db2.gz CRTNMPWIEUQSQM-JKSUJKDBSA-N 0 3 401.475 -1.187 20 0 HAADHN Cc1cc(C(=O)N2CCN(CCN(C)C)C(=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC001130707261 1071713921 /nfs/dbraw/zinc/71/39/21/1071713921.db2.gz PJPZQSHKZSACFZ-UHFFFAOYSA-N 0 3 402.455 -1.213 20 0 HAADHN CS(=O)(=O)N1CCN(C(=O)CNCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001131524455 1071719637 /nfs/dbraw/zinc/71/96/37/1071719637.db2.gz IBEQWSNANFSBMI-AQRJEWBLSA-N 0 3 400.501 -1.781 20 0 HAADHN CN1CCn2nc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2S1(=O)=O ZINC001136610133 1071735115 /nfs/dbraw/zinc/73/51/15/1071735115.db2.gz PLSOSTVJAXLHJY-UHFFFAOYSA-N 0 3 410.500 -1.103 20 0 HAADHN CN(C)C(=O)CCN1CCC(NC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC001136629711 1071735208 /nfs/dbraw/zinc/73/52/08/1071735208.db2.gz UXSGOZAHTGSDQJ-UHFFFAOYSA-N 0 3 413.500 -1.086 20 0 HAADHN O=C(CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NCCN1CCCCC1 ZINC001140743235 1072127696 /nfs/dbraw/zinc/12/76/96/1072127696.db2.gz CEPKMRZCGBZROJ-CABCVRRESA-N 0 3 414.528 -1.260 20 0 HAADHN O=C(CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NCCN1CCCCC1 ZINC001140743236 1072127830 /nfs/dbraw/zinc/12/78/30/1072127830.db2.gz CEPKMRZCGBZROJ-GJZGRUSLSA-N 0 3 414.528 -1.260 20 0 HAADHN O=C(CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NCCN1CCCCC1 ZINC001140743237 1072127766 /nfs/dbraw/zinc/12/77/66/1072127766.db2.gz CEPKMRZCGBZROJ-HUUCEWRRSA-N 0 3 414.528 -1.260 20 0 HAADHN O=C(CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NCCN1CCCCC1 ZINC001140743238 1072127772 /nfs/dbraw/zinc/12/77/72/1072127772.db2.gz CEPKMRZCGBZROJ-LSDHHAIUSA-N 0 3 414.528 -1.260 20 0 HAADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001140743395 1072127747 /nfs/dbraw/zinc/12/77/47/1072127747.db2.gz JUXXHYMXCLLPBJ-CYBMUJFWSA-N 0 3 400.505 -1.195 20 0 HAADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001140743396 1072127819 /nfs/dbraw/zinc/12/78/19/1072127819.db2.gz JUXXHYMXCLLPBJ-ZDUSSCGKSA-N 0 3 400.505 -1.195 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cn1ccccc1=O ZINC001141924030 1072129756 /nfs/dbraw/zinc/12/97/56/1072129756.db2.gz TUQITHBHSKANBX-KABGHNSYSA-N 0 3 417.382 -2.745 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cn1cccnc1=O ZINC001141958064 1072129747 /nfs/dbraw/zinc/12/97/47/1072129747.db2.gz SBTCGELDXHROMK-NKNIEXMISA-N 0 3 418.370 -3.350 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1cscn1 ZINC001142045122 1072130363 /nfs/dbraw/zinc/13/03/63/1072130363.db2.gz LMEDLOUDYBOOFZ-NKNIEXMISA-N 0 3 407.412 -1.908 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1cccnc1 ZINC001142148090 1072131354 /nfs/dbraw/zinc/13/13/54/1072131354.db2.gz DOTINBYXGTYOAT-NZLORHDLSA-N 0 3 401.383 -1.969 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1ccccn1 ZINC001142166860 1072131404 /nfs/dbraw/zinc/13/14/04/1072131404.db2.gz CQXANYHWSNJAHK-NZLORHDLSA-N 0 3 401.383 -1.969 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1ccncc1 ZINC001142185395 1072131361 /nfs/dbraw/zinc/13/13/61/1072131361.db2.gz YOPCGRTYJTYEIP-NZLORHDLSA-N 0 3 401.383 -1.969 20 0 HAADHN CC(C)N(C)CC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001142590226 1071311216 /nfs/dbraw/zinc/31/12/16/1071311216.db2.gz MTAFJHSNECSONW-VBVJRUAFSA-N 0 3 407.475 -1.032 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1CC2CCN1CC2 ZINC001142635464 1072133742 /nfs/dbraw/zinc/13/37/42/1072133742.db2.gz MNKLHZOLYOCUBV-JISVWNMTSA-N 0 3 419.442 -2.122 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1CC2CCN1CC2 ZINC001142635465 1072133794 /nfs/dbraw/zinc/13/37/94/1072133794.db2.gz MNKLHZOLYOCUBV-ZOKLZRJQSA-N 0 3 419.442 -2.122 20 0 HAADHN CN(C)C(=O)CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001143055644 1072134964 /nfs/dbraw/zinc/13/49/64/1072134964.db2.gz GTTKYAKABDZUSJ-DHNQBYQLSA-N 0 3 409.403 -2.738 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CN1CCCC1=O ZINC001143249316 1072136024 /nfs/dbraw/zinc/13/60/24/1072136024.db2.gz VQUXLXCEGQHFTK-DHNQBYQLSA-N 0 3 407.387 -2.984 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001143292716 1072135952 /nfs/dbraw/zinc/13/59/52/1072135952.db2.gz AGLUAGPIROIUON-QBPKDAKJSA-N 0 3 420.514 -1.031 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001143292717 1072136051 /nfs/dbraw/zinc/13/60/51/1072136051.db2.gz AGLUAGPIROIUON-YLFCFFPRSA-N 0 3 420.514 -1.031 20 0 HAADHN CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001144084676 1071738846 /nfs/dbraw/zinc/73/88/46/1071738846.db2.gz JNOPWDFTDVNYOA-UHFFFAOYSA-N 0 3 407.475 -1.220 20 0 HAADHN NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2=O)c1 ZINC001144237105 1071739427 /nfs/dbraw/zinc/73/94/27/1071739427.db2.gz NASCNHCLGPSMCI-AEGPPILISA-N 0 3 408.480 -1.036 20 0 HAADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCN4C[C@H](O)C[C@H]4C3)CC2=O)c1 ZINC001144237106 1071739447 /nfs/dbraw/zinc/73/94/47/1071739447.db2.gz NASCNHCLGPSMCI-VHDGCEQUSA-N 0 3 408.480 -1.036 20 0 HAADHN C[C@@]1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[C@@H]2C=C[C@H]1C2 ZINC001144284676 1071739507 /nfs/dbraw/zinc/73/95/07/1071739507.db2.gz YBJRFKVKVNHFQK-GWYCOXRTSA-N 0 3 416.438 -1.004 20 0 HAADHN C[C@]1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)C[C@@H]2C=C[C@H]1C2 ZINC001144284677 1071739405 /nfs/dbraw/zinc/73/94/05/1071739405.db2.gz YBJRFKVKVNHFQK-VXBUESCESA-N 0 3 416.438 -1.004 20 0 HAADHN CC(=O)N1CCC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001144319781 1071739460 /nfs/dbraw/zinc/73/94/60/1071739460.db2.gz HDNBSXMFBHURPY-GBPQWNHNSA-N 0 3 421.414 -2.596 20 0 HAADHN COC(=O)C[C@@H](C)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001144383122 1071740013 /nfs/dbraw/zinc/74/00/13/1071740013.db2.gz KLDXRRQZCXSNJI-HUCDERQRSA-N 0 3 424.414 -2.017 20 0 HAADHN COC(=O)C[C@H](C)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001144383123 1071740033 /nfs/dbraw/zinc/74/00/33/1071740033.db2.gz KLDXRRQZCXSNJI-IOKXHJGESA-N 0 3 424.414 -2.017 20 0 HAADHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@@H]21 ZINC001144899184 1071749819 /nfs/dbraw/zinc/74/98/19/1071749819.db2.gz HCARUOMBSURXRF-JUAVELKISA-N 0 3 421.494 -1.215 20 0 HAADHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@H]21 ZINC001144899185 1071749891 /nfs/dbraw/zinc/74/98/91/1071749891.db2.gz HCARUOMBSURXRF-NKOUSSCVSA-N 0 3 421.494 -1.215 20 0 HAADHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C[C@@H]21 ZINC001144899186 1071749859 /nfs/dbraw/zinc/74/98/59/1071749859.db2.gz HCARUOMBSURXRF-UOBLNPGPSA-N 0 3 421.494 -1.215 20 0 HAADHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C[C@H]21 ZINC001144899187 1071749838 /nfs/dbraw/zinc/74/98/38/1071749838.db2.gz HCARUOMBSURXRF-VMLRXSKPSA-N 0 3 421.494 -1.215 20 0 HAADHN COc1ccc(CCN2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)cc1 ZINC001144901766 1071753409 /nfs/dbraw/zinc/75/34/09/1071753409.db2.gz BTDJQCYSQPSLFR-FGTMMUONSA-N 0 3 410.467 -1.538 20 0 HAADHN COc1ccc(CCN2CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)cc1 ZINC001144901767 1071753423 /nfs/dbraw/zinc/75/34/23/1071753423.db2.gz BTDJQCYSQPSLFR-KZNAEPCWSA-N 0 3 410.467 -1.538 20 0 HAADHN COc1ccc(CCN2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)cc1 ZINC001144901768 1071753520 /nfs/dbraw/zinc/75/35/20/1071753520.db2.gz BTDJQCYSQPSLFR-OKZBNKHCSA-N 0 3 410.467 -1.538 20 0 HAADHN COc1ccc(CCN2CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)cc1 ZINC001144901769 1071753552 /nfs/dbraw/zinc/75/35/52/1071753552.db2.gz BTDJQCYSQPSLFR-RCCFBDPRSA-N 0 3 410.467 -1.538 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)COC1CCCC1 ZINC001146769004 1071772143 /nfs/dbraw/zinc/77/21/43/1071772143.db2.gz KHZMWIWATAEOEH-NZLORHDLSA-N 0 3 408.415 -1.648 20 0 HAADHN Cc1ccsc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001147115903 1071772727 /nfs/dbraw/zinc/77/27/27/1071772727.db2.gz SPDPEKKRCVYYIP-YEQQSWKOSA-N 0 3 406.424 -1.188 20 0 HAADHN Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cn1 ZINC001147168911 1071772822 /nfs/dbraw/zinc/77/28/22/1071772822.db2.gz XKDAZPLJOUHLHG-NKTGWMFESA-N 0 3 401.383 -1.855 20 0 HAADHN Cc1cccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)n1 ZINC001147221765 1071772902 /nfs/dbraw/zinc/77/29/02/1071772902.db2.gz MUQKVBXWAGKWSQ-NKTGWMFESA-N 0 3 401.383 -1.855 20 0 HAADHN Cc1nc(C)c(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)s1 ZINC001147242534 1071772748 /nfs/dbraw/zinc/77/27/48/1071772748.db2.gz ZZFZJJSIKNIVQO-YEQQSWKOSA-N 0 3 421.439 -1.485 20 0 HAADHN Cc1ncsc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001147392290 1071772877 /nfs/dbraw/zinc/77/28/77/1071772877.db2.gz NUEIJBMFGDCMOY-YQWOLNQXSA-N 0 3 407.412 -1.793 20 0 HAADHN Cc1cncc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001147404909 1071772703 /nfs/dbraw/zinc/77/27/03/1071772703.db2.gz FCOVJZBOBYONLA-NKTGWMFESA-N 0 3 401.383 -1.855 20 0 HAADHN Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)nc1 ZINC001147453439 1071773431 /nfs/dbraw/zinc/77/34/31/1071773431.db2.gz AYFZDHXIOWZSHN-NKTGWMFESA-N 0 3 401.383 -1.855 20 0 HAADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)C1=O ZINC001147543935 1071773389 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C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001158991472 1072170146 /nfs/dbraw/zinc/17/01/46/1072170146.db2.gz MRWOFBWQHVOFDG-GUTXKFCHSA-N 0 3 406.487 -1.007 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001158991473 1072170137 /nfs/dbraw/zinc/17/01/37/1072170137.db2.gz MRWOFBWQHVOFDG-YDHLFZDLSA-N 0 3 406.487 -1.007 20 0 HAADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001158992528 1072170236 /nfs/dbraw/zinc/17/02/36/1072170236.db2.gz XMAXGAFZFIJNME-HOCLYGCPSA-N 0 3 406.487 -1.056 20 0 HAADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001158992529 1072170273 /nfs/dbraw/zinc/17/02/73/1072170273.db2.gz XMAXGAFZFIJNME-ZBFHGGJFSA-N 0 3 406.487 -1.056 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1)C(N)=O ZINC001159045689 1072170704 /nfs/dbraw/zinc/17/07/04/1072170704.db2.gz DEOKZQIGZVRGIV-NJVJYBDUSA-N 0 3 411.503 -1.574 20 0 HAADHN 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Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001159073915 1072171431 /nfs/dbraw/zinc/17/14/31/1072171431.db2.gz FKJKBZPZDYRYGI-OAHLLOKOSA-N 0 3 417.514 -1.977 20 0 HAADHN Cn1cncc1C[C@H](N)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074039 1072171578 /nfs/dbraw/zinc/17/15/78/1072171578.db2.gz HQOQTJFBOCRQRQ-INIZCTEOSA-N 0 3 414.514 -1.004 20 0 HAADHN COC(=O)CC[C@H](N)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074729 1072171613 /nfs/dbraw/zinc/17/16/13/1072171613.db2.gz JXYIAWSVHLEJKI-AWEZNQCLSA-N 0 3 406.487 -1.027 20 0 HAADHN COC(=O)CC[C@@H](N)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074730 1072172118 /nfs/dbraw/zinc/17/21/18/1072172118.db2.gz JXYIAWSVHLEJKI-CQSZACIVSA-N 0 3 406.487 -1.027 20 0 HAADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001159075311 1072172336 /nfs/dbraw/zinc/17/23/36/1072172336.db2.gz MVOBODFYBSIJCR-HJFSHJIFSA-N 0 3 410.544 -1.212 20 0 HAADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001159075314 1072172209 /nfs/dbraw/zinc/17/22/09/1072172209.db2.gz MVOBODFYBSIJCR-POXGOYDTSA-N 0 3 410.544 -1.212 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159075567 1072172162 /nfs/dbraw/zinc/17/21/62/1072172162.db2.gz PKZFGKHHHSSTED-STQMWFEESA-N 0 3 405.503 -1.456 20 0 HAADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)Cc1c[nH]cn1)CC2 ZINC001159076130 1072172354 /nfs/dbraw/zinc/17/23/54/1072172354.db2.gz RVGPSXMIMSLSHS-HNNXBMFYSA-N 0 3 400.487 -1.015 20 0 HAADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H](N)Cc1c[nH]cn1)CC2 ZINC001159076132 1072172085 /nfs/dbraw/zinc/17/20/85/1072172085.db2.gz RVGPSXMIMSLSHS-OAHLLOKOSA-N 0 3 400.487 -1.015 20 0 HAADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001159076137 1072172140 /nfs/dbraw/zinc/17/21/40/1072172140.db2.gz RVZAIFDFAIZOGG-AWEZNQCLSA-N 0 3 420.518 -1.532 20 0 HAADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001159076138 1072172179 /nfs/dbraw/zinc/17/21/79/1072172179.db2.gz RVZAIFDFAIZOGG-CQSZACIVSA-N 0 3 420.518 -1.532 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1)C(N)=O ZINC001159084430 1072173059 /nfs/dbraw/zinc/17/30/59/1072173059.db2.gz KSQFGHGYGPWVFD-AHLTXXRQSA-N 0 3 405.459 -1.776 20 0 HAADHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)[C@H]1COC2(CNC2)CN1)N1CCCC1 ZINC001159090304 1072172894 /nfs/dbraw/zinc/17/28/94/1072172894.db2.gz CFHBUQFXPHMECV-KYHPRHEASA-N 0 3 408.499 -1.286 20 0 HAADHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)[C@@H]1COC2(CNC2)CN1)N1CCCC1 ZINC001159090308 1072172995 /nfs/dbraw/zinc/17/29/95/1072172995.db2.gz CFHBUQFXPHMECV-LISAXSMJSA-N 0 3 408.499 -1.286 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103197 1072173583 /nfs/dbraw/zinc/17/35/83/1072173583.db2.gz LXABZOUBZFGJDE-STQMWFEESA-N 0 3 402.459 -1.780 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2nnc(Cn3cccc3)n2CC1)C(N)=O ZINC001159103716 1072173563 /nfs/dbraw/zinc/17/35/63/1072173563.db2.gz VLMFBBSFIWTOIB-UONOGXRCSA-N 0 3 416.486 -1.390 20 0 HAADHN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001159126466 1072174211 /nfs/dbraw/zinc/17/42/11/1072174211.db2.gz OXHVGZQQQFJHFZ-CORIIIEPSA-N 0 3 421.502 -1.267 20 0 HAADHN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001159126467 1072174327 /nfs/dbraw/zinc/17/43/27/1072174327.db2.gz OXHVGZQQQFJHFZ-WHOFXGATSA-N 0 3 421.502 -1.267 20 0 HAADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@](C)(N)CO)CC3)C1=O ZINC001159182368 1072174844 /nfs/dbraw/zinc/17/48/44/1072174844.db2.gz QKUPMKRBCGGYRE-DOTOQJQBSA-N 0 3 402.517 -1.571 20 0 HAADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@](C)(N)CO)CC3)C1=O ZINC001159182369 1072174805 /nfs/dbraw/zinc/17/48/05/1072174805.db2.gz QKUPMKRBCGGYRE-RDJZCZTQSA-N 0 3 402.517 -1.571 20 0 HAADHN CN[C@@H](CO)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159189682 1072175657 /nfs/dbraw/zinc/17/56/57/1072175657.db2.gz FWJPUXDZKCHPQD-GUYCJALGSA-N 0 3 402.517 -1.701 20 0 HAADHN CN[C@@H](CO)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159189684 1072175385 /nfs/dbraw/zinc/17/53/85/1072175385.db2.gz FWJPUXDZKCHPQD-SUMWQHHRSA-N 0 3 402.517 -1.701 20 0 HAADHN CO[C@@H](CN)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159190026 1072175671 /nfs/dbraw/zinc/17/56/71/1072175671.db2.gz HRTDMMJDXQXOOR-GUYCJALGSA-N 0 3 402.517 -1.307 20 0 HAADHN CO[C@@H](CN)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159190028 1072176204 /nfs/dbraw/zinc/17/62/04/1072176204.db2.gz HRTDMMJDXQXOOR-SUMWQHHRSA-N 0 3 402.517 -1.307 20 0 HAADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@@H]21 ZINC001159191292 1072176744 /nfs/dbraw/zinc/17/67/44/1072176744.db2.gz FBQFCTJNIONFRW-BYNSBNAKSA-N 0 3 414.528 -1.102 20 0 HAADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@@H]21 ZINC001159191293 1072176650 /nfs/dbraw/zinc/17/66/50/1072176650.db2.gz FBQFCTJNIONFRW-ZQDZILKHSA-N 0 3 414.528 -1.102 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001159192834 1072177325 /nfs/dbraw/zinc/17/73/25/1072177325.db2.gz XLZGVSNKUYWDNJ-BJJXKVORSA-N 0 3 406.487 -1.025 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001159192835 1072177363 /nfs/dbraw/zinc/17/73/63/1072177363.db2.gz XLZGVSNKUYWDNJ-NOLJZWGESA-N 0 3 406.487 -1.025 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001159201927 1072177371 /nfs/dbraw/zinc/17/73/71/1072177371.db2.gz BAANALBYXCTKFG-HTVCTNPSSA-N 0 3 412.491 -2.172 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21)C(N)=O ZINC001159208840 1072177241 /nfs/dbraw/zinc/17/72/41/1072177241.db2.gz DGNOLZADCQNTEL-WSOGKROESA-N 0 3 419.482 -1.079 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159210132 1072177220 /nfs/dbraw/zinc/17/72/20/1072177220.db2.gz ORNKVCCBYUOXPA-AFHWFKKNSA-N 0 3 405.455 -1.469 20 0 HAADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](N)CCCNC(N)=O ZINC001159224073 1072177305 /nfs/dbraw/zinc/17/73/05/1072177305.db2.gz HAOSTIRTIRQXDJ-CHWSQXEVSA-N 0 3 405.463 -1.188 20 0 HAADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](N)CCCNC(N)=O ZINC001159224074 1072177878 /nfs/dbraw/zinc/17/78/78/1072177878.db2.gz HAOSTIRTIRQXDJ-OLZOCXBDSA-N 0 3 405.463 -1.188 20 0 HAADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](N)CCCNC(N)=O ZINC001159224075 1072177834 /nfs/dbraw/zinc/17/78/34/1072177834.db2.gz HAOSTIRTIRQXDJ-QWHCGFSZSA-N 0 3 405.463 -1.188 20 0 HAADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H](N)CCCNC(N)=O ZINC001159224076 1072177911 /nfs/dbraw/zinc/17/79/11/1072177911.db2.gz HAOSTIRTIRQXDJ-STQMWFEESA-N 0 3 405.463 -1.188 20 0 HAADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001159225947 1072177867 /nfs/dbraw/zinc/17/78/67/1072177867.db2.gz WQOHFYQDKWERSW-KBPBESRZSA-N 0 3 402.459 -1.634 20 0 HAADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001159225949 1072177899 /nfs/dbraw/zinc/17/78/99/1072177899.db2.gz WQOHFYQDKWERSW-KGLIPLIRSA-N 0 3 402.459 -1.634 20 0 HAADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001159225950 1072177797 /nfs/dbraw/zinc/17/77/97/1072177797.db2.gz WQOHFYQDKWERSW-UONOGXRCSA-N 0 3 402.459 -1.634 20 0 HAADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001159225951 1072177894 /nfs/dbraw/zinc/17/78/94/1072177894.db2.gz WQOHFYQDKWERSW-ZIAGYGMSSA-N 0 3 402.459 -1.634 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H]1CCN2C(=O)c1cnn(C)c1 ZINC001159237145 1072178377 /nfs/dbraw/zinc/17/83/77/1072178377.db2.gz XDTUKPJMUAVVRU-DOERSZECSA-N 0 3 405.459 -2.057 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@H]1CCN2C(=O)c1cnn(C)c1)C(N)=O ZINC001159237322 1072178535 /nfs/dbraw/zinc/17/85/35/1072178535.db2.gz ZAANJOBGDNSLKU-MYPMTAMASA-N 0 3 419.486 -1.667 20 0 HAADHN Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)[C@@H]2CCCO[C@@H]21 ZINC001159267644 1072178461 /nfs/dbraw/zinc/17/84/61/1072178461.db2.gz MSJXZRLMBDMEAW-KLZNWCGWSA-N 0 3 403.483 -1.156 20 0 HAADHN Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)[C@@H]2CCCO[C@@H]21 ZINC001159267646 1072178489 /nfs/dbraw/zinc/17/84/89/1072178489.db2.gz MSJXZRLMBDMEAW-LJIGWXMPSA-N 0 3 403.483 -1.156 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159272143 1072178528 /nfs/dbraw/zinc/17/85/28/1072178528.db2.gz IYSRIYLOYHVVIA-GFCCVEGCSA-N 0 3 404.431 -1.081 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001159272145 1072178503 /nfs/dbraw/zinc/17/85/03/1072178503.db2.gz IYSRIYLOYHVVIA-LBPRGKRZSA-N 0 3 404.431 -1.081 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)C(N)=O ZINC001159272219 1072179006 /nfs/dbraw/zinc/17/90/06/1072179006.db2.gz KMZXPQCAVLKRCA-DGAVXFQQSA-N 0 3 405.459 -2.010 20 0 HAADHN O=C(NCc1cnc2n1CCN(C(=O)[C@H]1COC3(CNC3)CN1)C2)c1ccno1 ZINC001159272737 1072179042 /nfs/dbraw/zinc/17/90/42/1072179042.db2.gz NOWUBSDJYNUWKU-CYBMUJFWSA-N 0 3 401.427 -1.526 20 0 HAADHN O=C(NCc1cnc2n1CCN(C(=O)[C@@H]1COC3(CNC3)CN1)C2)c1ccno1 ZINC001159272739 1072179025 /nfs/dbraw/zinc/17/90/25/1072179025.db2.gz NOWUBSDJYNUWKU-ZDUSSCGKSA-N 0 3 401.427 -1.526 20 0 HAADHN Cc1ccc(N2CCO[C@H]3CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@H]32)nn1 ZINC001159297185 1072178932 /nfs/dbraw/zinc/17/89/32/1072178932.db2.gz GRKSOUDGSSANDO-YJNKXOJESA-N 0 3 419.486 -1.701 20 0 HAADHN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H]4CCS(=O)(=O)C45CNC5)C[C@H]32)nn1 ZINC001159298213 1072179055 /nfs/dbraw/zinc/17/90/55/1072179055.db2.gz RNARDHKOVIJRHL-KFWWJZLASA-N 0 3 407.496 -1.022 20 0 HAADHN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)C45CNC5)C[C@H]32)nn1 ZINC001159298215 1072178956 /nfs/dbraw/zinc/17/89/56/1072178956.db2.gz RNARDHKOVIJRHL-ZNMIVQPWSA-N 0 3 407.496 -1.022 20 0 HAADHN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]32)nn1 ZINC001159298370 1072179015 /nfs/dbraw/zinc/17/90/15/1072179015.db2.gz SAKVFEORUAGLNT-FQUUOJAGSA-N 0 3 405.459 -2.092 20 0 HAADHN CO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159317516 1072179038 /nfs/dbraw/zinc/17/90/38/1072179038.db2.gz WOIBMWXYQJFFFA-OGCZYDBJSA-N 0 3 405.499 -1.046 20 0 HAADHN CN1CCN(CC2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001159365510 1072179603 /nfs/dbraw/zinc/17/96/03/1072179603.db2.gz ALUUDIASUQMQGG-HNNXBMFYSA-N 0 3 411.528 -1.142 20 0 HAADHN CN1CCN(CC2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)CC1 ZINC001159365515 1072179581 /nfs/dbraw/zinc/17/95/81/1072179581.db2.gz ALUUDIASUQMQGG-OAHLLOKOSA-N 0 3 411.528 -1.142 20 0 HAADHN CCN1C[C@H]2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[C@H]2S1(=O)=O ZINC001159402710 1072180801 /nfs/dbraw/zinc/18/08/01/1072180801.db2.gz BKLKWBYHYZCHQY-QNWHQSFQSA-N 0 3 403.505 -2.034 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159411980 1072181252 /nfs/dbraw/zinc/18/12/52/1072181252.db2.gz MOMMAMKLDVQAJF-MAAUKKLOSA-N 0 3 423.445 -1.218 20 0 HAADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCS(=O)(=O)C24CNC4)CC3)CC1 ZINC001159417507 1072181190 /nfs/dbraw/zinc/18/11/90/1072181190.db2.gz SRMKRIJOLNYILY-INIZCTEOSA-N 0 3 422.555 -1.251 20 0 HAADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CCS(=O)(=O)C24CNC4)CC3)CC1 ZINC001159417508 1072181211 /nfs/dbraw/zinc/18/12/11/1072181211.db2.gz SRMKRIJOLNYILY-MRXNPFEDSA-N 0 3 422.555 -1.251 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001159424248 1072181274 /nfs/dbraw/zinc/18/12/74/1072181274.db2.gz GPUOVVSOJFSTAO-ZFWWWQNUSA-N 0 3 420.518 -2.320 20 0 HAADHN O=C(c1[nH]nc2c1CNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457034 1072182027 /nfs/dbraw/zinc/18/20/27/1072182027.db2.gz CXKHEGQRHBTVJE-NJZAAPMLSA-N 0 3 423.495 -1.253 20 0 HAADHN O=C(c1[nH]nc2c1CNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457035 1072181974 /nfs/dbraw/zinc/18/19/74/1072181974.db2.gz CXKHEGQRHBTVJE-UXIGCNINSA-N 0 3 423.495 -1.253 20 0 HAADHN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CNCCN3)C[C@@H]21)N1CCOCC1 ZINC001159457036 1072181911 /nfs/dbraw/zinc/18/19/11/1072181911.db2.gz CXQOWWGNPLOKFU-APIJFGDWSA-N 0 3 400.501 -2.332 20 0 HAADHN O=C([C@H]1CNCCN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457037 1072181960 /nfs/dbraw/zinc/18/19/60/1072181960.db2.gz CXQOWWGNPLOKFU-GBJTYRQASA-N 0 3 400.501 -2.332 20 0 HAADHN O=C([C@H]1CNCCN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457038 1072181928 /nfs/dbraw/zinc/18/19/28/1072181928.db2.gz CXQOWWGNPLOKFU-KBUPBQIOSA-N 0 3 400.501 -2.332 20 0 HAADHN O=C([C@@H]1CNCCN1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457039 1072181990 /nfs/dbraw/zinc/18/19/90/1072181990.db2.gz CXQOWWGNPLOKFU-LJISPDSOSA-N 0 3 400.501 -2.332 20 0 HAADHN O=C(C[C@H]1CNCCO1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457458 1072182501 /nfs/dbraw/zinc/18/25/01/1072182501.db2.gz HRMFRRBOGLHHRT-CAOSSQGBSA-N 0 3 415.512 -1.515 20 0 HAADHN O=C(C[C@H]1CNCCO1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457459 1072182516 /nfs/dbraw/zinc/18/25/16/1072182516.db2.gz HRMFRRBOGLHHRT-ZJIFWQFVSA-N 0 3 415.512 -1.515 20 0 HAADHN NC(C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C(F)(F)F ZINC001159457694 1072182982 /nfs/dbraw/zinc/18/29/82/1072182982.db2.gz IJRSFYGLAKHGNV-DDHJBXDOSA-N 0 3 413.418 -1.004 20 0 HAADHN NC(C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C(F)(F)F ZINC001159457695 1072183068 /nfs/dbraw/zinc/18/30/68/1072183068.db2.gz IJRSFYGLAKHGNV-IRCOFANPSA-N 0 3 413.418 -1.004 20 0 HAADHN 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ZINC001159710266 1072191299 /nfs/dbraw/zinc/19/12/99/1072191299.db2.gz IAAJHTPHBFSOBC-RKTXRCNFSA-N 0 3 416.482 -1.457 20 0 HAADHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@H]1COC2(CNC2)CN1)c1ccnnc1 ZINC001159710267 1072191272 /nfs/dbraw/zinc/19/12/72/1072191272.db2.gz IAAJHTPHBFSOBC-SVGFKBNWSA-N 0 3 416.482 -1.457 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159712938 1072191253 /nfs/dbraw/zinc/19/12/53/1072191253.db2.gz RVAFLTNXKQHYAV-ARLBYUKCSA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712942 1072191222 /nfs/dbraw/zinc/19/12/22/1072191222.db2.gz RVAFLTNXKQHYAV-DMRZNYOFSA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712945 1072191214 /nfs/dbraw/zinc/19/12/14/1072191214.db2.gz RVAFLTNXKQHYAV-DRPJVOAASA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159712948 1072191044 /nfs/dbraw/zinc/19/10/44/1072191044.db2.gz RVAFLTNXKQHYAV-DTZQCDIJSA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159712952 1072191810 /nfs/dbraw/zinc/19/18/10/1072191810.db2.gz RVAFLTNXKQHYAV-LCGIIJARSA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712958 1072191828 /nfs/dbraw/zinc/19/18/28/1072191828.db2.gz RVAFLTNXKQHYAV-QCEMKRCNSA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159712962 1072191817 /nfs/dbraw/zinc/19/18/17/1072191817.db2.gz RVAFLTNXKQHYAV-SLBVQIDZSA-N 0 3 419.486 -1.012 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712968 1072191893 /nfs/dbraw/zinc/19/18/93/1072191893.db2.gz RVAFLTNXKQHYAV-SYAUCNOPSA-N 0 3 419.486 -1.012 20 0 HAADHN O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@@H]1COC3(CNC3)CN1)C2)N1CCCC1 ZINC001159736508 1072191907 /nfs/dbraw/zinc/19/19/07/1072191907.db2.gz FBTBKSXWYVXWKT-GJYPPUQNSA-N 0 3 408.499 -1.569 20 0 HAADHN O=C(COC[C@]12COC[C@H]1CN(C(=O)[C@H]1COC3(CNC3)CN1)C2)N1CCCC1 ZINC001159736509 1072191875 /nfs/dbraw/zinc/19/18/75/1072191875.db2.gz FBTBKSXWYVXWKT-MDZRGWNJSA-N 0 3 408.499 -1.569 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159738336 1072192496 /nfs/dbraw/zinc/19/24/96/1072192496.db2.gz TWDYWTMYWCIJEE-CLCXKQKWSA-N 0 3 411.503 -1.124 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159738337 1072192439 /nfs/dbraw/zinc/19/24/39/1072192439.db2.gz TWDYWTMYWCIJEE-VCBZYWHSSA-N 0 3 411.503 -1.124 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746393 1072192514 /nfs/dbraw/zinc/19/25/14/1072192514.db2.gz DJYMPHCKPGLDEQ-BJINURBMSA-N 0 3 409.487 -1.772 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1)C(N)=O ZINC001159746439 1072192544 /nfs/dbraw/zinc/19/25/44/1072192544.db2.gz FVQJLLNLYWBFTP-LXJUHRJVSA-N 0 3 423.514 -1.382 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2OCC(=O)N(c3cccc(F)c3)[C@@H]2C1 ZINC001159750897 1072192620 /nfs/dbraw/zinc/19/26/20/1072192620.db2.gz MDPDEADWGXXZMG-BSLXNSKLSA-N 0 3 421.429 -1.524 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1)C(N)=O ZINC001159756371 1072192612 /nfs/dbraw/zinc/19/26/12/1072192612.db2.gz BQRJMKDARUHQIY-BBEJJTJUSA-N 0 3 419.486 -1.527 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1)C(N)=O ZINC001159756372 1072192484 /nfs/dbraw/zinc/19/24/84/1072192484.db2.gz BQRJMKDARUHQIY-CFZJUORYSA-N 0 3 419.486 -1.527 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159758004 1072192556 /nfs/dbraw/zinc/19/25/56/1072192556.db2.gz MBFBDKPMPWVCPA-FNFWKMNBSA-N 0 3 405.459 -1.917 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001159758007 1072192454 /nfs/dbraw/zinc/19/24/54/1072192454.db2.gz MBFBDKPMPWVCPA-RRUGBERISA-N 0 3 405.459 -1.917 20 0 HAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001159759080 1072192417 /nfs/dbraw/zinc/19/24/17/1072192417.db2.gz WIEGOKNNEVLKCR-PFRQMTDMSA-N 0 3 411.547 -1.402 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001159764816 1072192603 /nfs/dbraw/zinc/19/26/03/1072192603.db2.gz JOXFWLWTKFAGNL-AMMHQNNLSA-N 0 3 423.514 -1.669 20 0 HAADHN O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]21)N1CCOCC1 ZINC001159768083 1072193071 /nfs/dbraw/zinc/19/30/71/1072193071.db2.gz NXIXQJDSLDTBCJ-NCOADZHNSA-N 0 3 408.499 -1.713 20 0 HAADHN O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]21)N1CCOCC1 ZINC001159768084 1072193114 /nfs/dbraw/zinc/19/31/14/1072193114.db2.gz NXIXQJDSLDTBCJ-WCXIOVBPSA-N 0 3 408.499 -1.713 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159768254 1072193146 /nfs/dbraw/zinc/19/31/46/1072193146.db2.gz QMGDZIKBBXINKV-LVQVYYBASA-N 0 3 411.503 -1.268 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)C(N)=O ZINC001159770984 1072193080 /nfs/dbraw/zinc/19/30/80/1072193080.db2.gz XTJUELJKDILCNK-NBRWMIFNSA-N 0 3 409.487 -1.632 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159810696 1072193060 /nfs/dbraw/zinc/19/30/60/1072193060.db2.gz KJEPTTQZKGYMRY-IHRRRGAJSA-N 0 3 402.459 -1.554 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159810697 1072193120 /nfs/dbraw/zinc/19/31/20/1072193120.db2.gz KJEPTTQZKGYMRY-MJBXVCDLSA-N 0 3 402.459 -1.554 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1)C(N)=O ZINC001159811006 1072193090 /nfs/dbraw/zinc/19/30/90/1072193090.db2.gz UHTYSGXPYFYGCK-RRFJBIMHSA-N 0 3 416.486 -1.164 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1)C(N)=O ZINC001159811007 1072193784 /nfs/dbraw/zinc/19/37/84/1072193784.db2.gz UHTYSGXPYFYGCK-SOUVJXGZSA-N 0 3 416.486 -1.164 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159816591 1072193760 /nfs/dbraw/zinc/19/37/60/1072193760.db2.gz BPQJNAKAHYDJHY-GUTXKFCHSA-N 0 3 423.514 -1.240 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001159816593 1072193667 /nfs/dbraw/zinc/19/36/67/1072193667.db2.gz BPQJNAKAHYDJHY-YDHLFZDLSA-N 0 3 423.514 -1.240 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159886905 1072193592 /nfs/dbraw/zinc/19/35/92/1072193592.db2.gz PYFRZJKDFFEZBZ-CKFHNAJUSA-N 0 3 419.486 -1.618 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159886906 1072193754 /nfs/dbraw/zinc/19/37/54/1072193754.db2.gz PYFRZJKDFFEZBZ-NJSLBKSFSA-N 0 3 419.486 -1.618 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001159905963 1072193749 /nfs/dbraw/zinc/19/37/49/1072193749.db2.gz SYFQYEIMBAQKOG-WGDDSDEBSA-N 0 3 405.455 -1.072 20 0 HAADHN COCCN1CCO[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC[C@H]2C1=O ZINC001159916440 1072193650 /nfs/dbraw/zinc/19/36/50/1072193650.db2.gz BZQBXOLHAHUUMP-ILXRZTDVSA-N 0 3 415.512 -1.515 20 0 HAADHN COCCN1CCO[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC[C@H]2C1=O ZINC001159916443 1072194223 /nfs/dbraw/zinc/19/42/23/1072194223.db2.gz BZQBXOLHAHUUMP-KFWWJZLASA-N 0 3 415.512 -1.515 20 0 HAADHN COCCN1CCO[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC[C@H]2C1=O ZINC001159918581 1072194281 /nfs/dbraw/zinc/19/42/81/1072194281.db2.gz WSNYGRNMHQFQIW-CRWXNKLISA-N 0 3 413.475 -2.584 20 0 HAADHN CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001159931100 1072194236 /nfs/dbraw/zinc/19/42/36/1072194236.db2.gz WWDKFLSPTBQHOT-ZDUSSCGKSA-N 0 3 415.458 -1.416 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC2CC1(C(=O)NCc1ccco1)C2)C(N)=O ZINC001159938458 1072194320 /nfs/dbraw/zinc/19/43/20/1072194320.db2.gz CYFWQFLHVBKBIB-UEWHRMHWSA-N 0 3 405.455 -1.016 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001159939925 1072194806 /nfs/dbraw/zinc/19/48/06/1072194806.db2.gz YHAQURXGJHRXGT-QVKMIARZSA-N 0 3 423.514 -1.384 20 0 HAADHN Cn1ccc(CN2CCOCC23CCN(C(=O)[C@@H]2COC4(CNC4)CN2)CC3)n1 ZINC001159961444 1072194724 /nfs/dbraw/zinc/19/47/24/1072194724.db2.gz JEFUTRBVEFWELF-KRWDZBQOSA-N 0 3 404.515 -1.056 20 0 HAADHN Cn1ccc(CN2CCOCC23CCN(C(=O)[C@H]2COC4(CNC4)CN2)CC3)n1 ZINC001159961445 1072194914 /nfs/dbraw/zinc/19/49/14/1072194914.db2.gz JEFUTRBVEFWELF-QGZVFWFLSA-N 0 3 404.515 -1.056 20 0 HAADHN O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)C1)N1CCCC1 ZINC001159979541 1072194849 /nfs/dbraw/zinc/19/48/49/1072194849.db2.gz BNGAFRZUKHZQBZ-GJYPPUQNSA-N 0 3 408.499 -1.284 20 0 HAADHN O=C(CO[C@H]1CO[C@@]2(CCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)C1)N1CCCC1 ZINC001159979542 1072194787 /nfs/dbraw/zinc/19/47/87/1072194787.db2.gz BNGAFRZUKHZQBZ-MDZRGWNJSA-N 0 3 408.499 -1.284 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159979550 1072194941 /nfs/dbraw/zinc/19/49/41/1072194941.db2.gz BWBLTJUIGDJRGE-STQMWFEESA-N 0 3 402.459 -1.432 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCCn2cnc(Cn3cccn3)c2C1)C(N)=O ZINC001159980298 1072194949 /nfs/dbraw/zinc/19/49/49/1072194949.db2.gz LLYFOUFOULIIAM-UONOGXRCSA-N 0 3 416.486 -1.042 20 0 HAADHN Cc1noc(C)c1CN1CCO[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]21 ZINC001159988018 1072195374 /nfs/dbraw/zinc/19/53/74/1072195374.db2.gz RJTQTMKORQLNCG-LTTZEQNMSA-N 0 3 422.486 -1.590 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21)C(N)=O ZINC001159998823 1072195414 /nfs/dbraw/zinc/19/54/14/1072195414.db2.gz MHHLGSLJBJZZKF-LOWDOPEQSA-N 0 3 403.505 -2.034 20 0 HAADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]2C1 ZINC001160007003 1072195480 /nfs/dbraw/zinc/19/54/80/1072195480.db2.gz AGRIMQNRJUEYQJ-ILXRZTDVSA-N 0 3 401.533 -1.087 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001160007260 1072195515 /nfs/dbraw/zinc/19/55/15/1072195515.db2.gz HRDKJHHTSNHTMU-RNJOBUHISA-N 0 3 418.520 -2.720 20 0 HAADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001160007939 1072195333 /nfs/dbraw/zinc/19/53/33/1072195333.db2.gz REDCGBVCSTUIOO-XGUBFFRZSA-N 0 3 401.533 -1.089 20 0 HAADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@H]2C1 ZINC001160008609 1072195975 /nfs/dbraw/zinc/19/59/75/1072195975.db2.gz ZUHDQYSUCCLDIK-HZSPNIEDSA-N 0 3 420.557 -1.650 20 0 HAADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@H]2C1 ZINC001160008611 1072196233 /nfs/dbraw/zinc/19/62/33/1072196233.db2.gz ZUHDQYSUCCLDIK-RDBSUJKOSA-N 0 3 420.557 -1.650 20 0 HAADHN O=C(N[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001160017069 1072196264 /nfs/dbraw/zinc/19/62/64/1072196264.db2.gz PTCKJEWCPPQWHR-JURCDPSOSA-N 0 3 407.496 -1.038 20 0 HAADHN O=C(N[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001160017070 1072196007 /nfs/dbraw/zinc/19/60/07/1072196007.db2.gz PTCKJEWCPPQWHR-NEBZKDRISA-N 0 3 407.496 -1.038 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21)C(N)=O ZINC001160026586 1072196042 /nfs/dbraw/zinc/19/60/42/1072196042.db2.gz JDAVJEJPDNBTGY-GCSSGZNBSA-N 0 3 423.514 -1.145 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160027423 1072196224 /nfs/dbraw/zinc/19/62/24/1072196224.db2.gz YKYYBBKCLQWYEL-AHDPXTMNSA-N 0 3 409.487 -1.535 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001160049186 1072196245 /nfs/dbraw/zinc/19/62/45/1072196245.db2.gz AJSQAUFBVOZPRL-CVXDAYKESA-N 0 3 412.491 -1.885 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001160049689 1072196113 /nfs/dbraw/zinc/19/61/13/1072196113.db2.gz KQHTTYIFCYVSRI-NCLAMWEWSA-N 0 3 419.482 -1.219 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160065092 1072196753 /nfs/dbraw/zinc/19/67/53/1072196753.db2.gz GCRLRLJHVFFGQU-JSGCOSHPSA-N 0 3 414.470 -1.378 20 0 HAADHN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4COC5(CNC5)CN4)CC[C@@H]32)cn1 ZINC001160078317 1072196604 /nfs/dbraw/zinc/19/66/04/1072196604.db2.gz PUDHRGRBQOWQKE-LUKYLMHMSA-N 0 3 418.498 -1.656 20 0 HAADHN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4COC5(CNC5)CN4)CC[C@@H]32)cn1 ZINC001160078318 1072196773 /nfs/dbraw/zinc/19/67/73/1072196773.db2.gz PUDHRGRBQOWQKE-MWDXBVQZSA-N 0 3 418.498 -1.656 20 0 HAADHN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H](N)CCCNC(N)=O)CC[C@@H]32)cn1 ZINC001160078479 1072197292 /nfs/dbraw/zinc/19/72/92/1072197292.db2.gz TVWFNQBPVXHZOP-CAOSSQGBSA-N 0 3 421.502 -1.211 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](NC(=O)c2cccn2C)[C@H]2COC[C@H]21 ZINC001160083825 1072197161 /nfs/dbraw/zinc/19/71/61/1072197161.db2.gz AYSVOJYELJEYJP-GGAZOKNXSA-N 0 3 420.470 -2.312 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160083837 1072197338 /nfs/dbraw/zinc/19/73/38/1072197338.db2.gz CSDKVQHRQLXZQX-YERCRUGSSA-N 0 3 406.487 -1.135 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160085574 1072197249 /nfs/dbraw/zinc/19/72/49/1072197249.db2.gz MKWCFSWMDPNTJI-CFEDGUPZSA-N 0 3 416.482 -1.356 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160085576 1072197307 /nfs/dbraw/zinc/19/73/07/1072197307.db2.gz MKWCFSWMDPNTJI-IRHLFGLPSA-N 0 3 416.482 -1.356 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160085577 1072197436 /nfs/dbraw/zinc/19/74/36/1072197436.db2.gz MKWCFSWMDPNTJI-LTKYSVDLSA-N 0 3 416.482 -1.356 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160085578 1072197374 /nfs/dbraw/zinc/19/73/74/1072197374.db2.gz MKWCFSWMDPNTJI-TUQFVAEASA-N 0 3 416.482 -1.356 20 0 HAADHN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@@H]2COC[C@H]12 ZINC001160085735 1072197394 /nfs/dbraw/zinc/19/73/94/1072197394.db2.gz PKKULQBDIVGVIT-HLPPOEQASA-N 0 3 422.507 -1.243 20 0 HAADHN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@@H]2COC[C@H]12 ZINC001160085736 1072197322 /nfs/dbraw/zinc/19/73/22/1072197322.db2.gz PKKULQBDIVGVIT-IXYNUQLISA-N 0 3 422.507 -1.243 20 0 HAADHN N[C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CNCC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086051 1072197180 /nfs/dbraw/zinc/19/71/80/1072197180.db2.gz ADQDHAUPZWWLEK-XIDUGBJDSA-N 0 3 409.834 -1.512 20 0 HAADHN N[C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CCNC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086063 1072197450 /nfs/dbraw/zinc/19/74/50/1072197450.db2.gz AHSJHDLZQQONCL-XIDUGBJDSA-N 0 3 409.834 -1.512 20 0 HAADHN CN1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)nn2)CC1 ZINC001160086371 1072197988 /nfs/dbraw/zinc/19/79/88/1072197988.db2.gz GRPLVQDLGDFPNG-GAEVZRCVSA-N 0 3 418.458 -2.059 20 0 HAADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160087021 1072198021 /nfs/dbraw/zinc/19/80/21/1072198021.db2.gz PHHIWTLRTJSCHC-SDBHATRESA-N 0 3 417.382 -1.592 20 0 HAADHN COC(=O)c1cc2c(ncnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)[nH]1 ZINC001160087021 1072198017 /nfs/dbraw/zinc/19/80/17/1072198017.db2.gz PHHIWTLRTJSCHC-SDBHATRESA-N 0 3 417.382 -1.592 20 0 HAADHN COC(=O)c1c[n-]c2nc[nH+]c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c21 ZINC001160088190 1072199160 /nfs/dbraw/zinc/19/91/60/1072199160.db2.gz QOHVULYSIGNBCI-PMXXHBEXSA-N 0 3 417.382 -1.543 20 0 HAADHN COC(=O)c1c[nH]c2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c12 ZINC001160088190 1072199155 /nfs/dbraw/zinc/19/91/55/1072199155.db2.gz QOHVULYSIGNBCI-PMXXHBEXSA-N 0 3 417.382 -1.543 20 0 HAADHN CN1CCN(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)n2)CC1 ZINC001160088440 1072198951 /nfs/dbraw/zinc/19/89/51/1072198951.db2.gz YKTROXVVVXACGQ-BDQAWRDZSA-N 0 3 417.470 -1.288 20 0 HAADHN CN1CCN(c2nccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)n2)CC1 ZINC001160092292 1072199199 /nfs/dbraw/zinc/19/91/99/1072199199.db2.gz AQMCIBDKFOAHIB-RAEVTNRLSA-N 0 3 418.458 -1.893 20 0 HAADHN O=C([C@H]1COC2(C1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2)N1CCOCC1 ZINC001160106416 1072200893 /nfs/dbraw/zinc/20/08/93/1072200893.db2.gz XJZJIXXPMVJFCB-CVEARBPZSA-N 0 3 408.499 -1.427 20 0 HAADHN O=C([C@@H]1COC2(C1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2)N1CCOCC1 ZINC001160106417 1072200850 /nfs/dbraw/zinc/20/08/50/1072200850.db2.gz XJZJIXXPMVJFCB-HOTGVXAUSA-N 0 3 408.499 -1.427 20 0 HAADHN O=C([C@H]1COC2(C1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2)N1CCOCC1 ZINC001160106418 1072200968 /nfs/dbraw/zinc/20/09/68/1072200968.db2.gz XJZJIXXPMVJFCB-HZPDHXFCSA-N 0 3 408.499 -1.427 20 0 HAADHN O=C([C@@H]1COC2(C1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2)N1CCOCC1 ZINC001160106419 1072200997 /nfs/dbraw/zinc/20/09/97/1072200997.db2.gz XJZJIXXPMVJFCB-JKSUJKDBSA-N 0 3 408.499 -1.427 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160108990 1072200926 /nfs/dbraw/zinc/20/09/26/1072200926.db2.gz AIWFICNGELKZLE-CFVMTHIKSA-N 0 3 416.482 -1.246 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160108991 1072201004 /nfs/dbraw/zinc/20/10/04/1072201004.db2.gz AIWFICNGELKZLE-QEJZJMRPSA-N 0 3 416.482 -1.246 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2onc(Cn3cccn3)c2C1)C(N)=O ZINC001160129228 1072200988 /nfs/dbraw/zinc/20/09/88/1072200988.db2.gz UFNMAZSCDFOOSQ-WCQYABFASA-N 0 3 403.443 -1.098 20 0 HAADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160155839 1072200769 /nfs/dbraw/zinc/20/07/69/1072200769.db2.gz MFIVMEIGRZSWFW-LLLHUVSDSA-N 0 3 407.515 -1.238 20 0 HAADHN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160156333 1072200957 /nfs/dbraw/zinc/20/09/57/1072200957.db2.gz PINZIUTUENNFRD-OKILXGFUSA-N 0 3 410.475 -3.385 20 0 HAADHN CC(C)C(=O)N1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@]2(CCCC(=O)N2)C1 ZINC001160192385 1072201973 /nfs/dbraw/zinc/20/19/73/1072201973.db2.gz WSCGZSPMONIABQ-BEFAXECRSA-N 0 3 407.515 -1.318 20 0 HAADHN CC(C)C(=O)N1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192386 1072201926 /nfs/dbraw/zinc/20/19/26/1072201926.db2.gz WSCGZSPMONIABQ-DNVCBOLYSA-N 0 3 407.515 -1.318 20 0 HAADHN CC(C)C(=O)N1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192387 1072201951 /nfs/dbraw/zinc/20/19/51/1072201951.db2.gz WSCGZSPMONIABQ-HNAYVOBHSA-N 0 3 407.515 -1.318 20 0 HAADHN CC(C)C(=O)N1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@]2(CCCC(=O)N2)C1 ZINC001160192388 1072202027 /nfs/dbraw/zinc/20/20/27/1072202027.db2.gz WSCGZSPMONIABQ-KXBFYZLASA-N 0 3 407.515 -1.318 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192982 1072201868 /nfs/dbraw/zinc/20/18/68/1072201868.db2.gz LAHGJPUCBRSTOB-RYUDHWBXSA-N 0 3 403.447 -2.037 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCCn2c(Cn3cccn3)nnc2C1)C(N)=O ZINC001160194985 1072201990 /nfs/dbraw/zinc/20/19/90/1072201990.db2.gz ZNAQDACZLYOBGZ-QWHCGFSZSA-N 0 3 417.474 -1.647 20 0 HAADHN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)[C@@H]2CCCO[C@@H]21 ZINC001160213739 1072202514 /nfs/dbraw/zinc/20/25/14/1072202514.db2.gz YUQBXTRZOAUOND-XJFOESAGSA-N 0 3 407.475 -1.316 20 0 HAADHN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)[C@@H]2CCCO[C@@H]21 ZINC001160213772 1072202470 /nfs/dbraw/zinc/20/24/70/1072202470.db2.gz ZQVMZWJUBVZKQC-BYNSBNAKSA-N 0 3 404.471 -1.761 20 0 HAADHN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)[C@@H]2CCCO[C@@H]21 ZINC001160213773 1072202540 /nfs/dbraw/zinc/20/25/40/1072202540.db2.gz ZQVMZWJUBVZKQC-GBJTYRQASA-N 0 3 404.471 -1.761 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1)C(N)=O ZINC001160219343 1072202364 /nfs/dbraw/zinc/20/23/64/1072202364.db2.gz WVEOTDYSKACDFK-AUZPSNTRSA-N 0 3 405.459 -2.061 20 0 HAADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001160265663 1072203136 /nfs/dbraw/zinc/20/31/36/1072203136.db2.gz AUKMLKDMYLARQE-HNNXBMFYSA-N 0 3 403.483 -1.806 20 0 HAADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001160265665 1072202888 /nfs/dbraw/zinc/20/28/88/1072202888.db2.gz AUKMLKDMYLARQE-OAHLLOKOSA-N 0 3 403.483 -1.806 20 0 HAADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001160268077 1072202923 /nfs/dbraw/zinc/20/29/23/1072202923.db2.gz WPXZJYLGRYAZIF-AWEZNQCLSA-N 0 3 406.487 -1.361 20 0 HAADHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001160268078 1072203077 /nfs/dbraw/zinc/20/30/77/1072203077.db2.gz WPXZJYLGRYAZIF-CQSZACIVSA-N 0 3 406.487 -1.361 20 0 HAADHN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)[C@@H]2C1 ZINC001160295435 1072202838 /nfs/dbraw/zinc/20/28/38/1072202838.db2.gz NEVGCNVLZIIOOK-VQJWOFKYSA-N 0 3 411.503 -1.386 20 0 HAADHN COCCO[C@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@H]1Cc1cnn(C)c1 ZINC001160327005 1072203162 /nfs/dbraw/zinc/20/31/62/1072203162.db2.gz VXNBGEBYGFOIIC-TUUVXOQKSA-N 0 3 424.502 -1.698 20 0 HAADHN CC(=O)NCc1ncn2c1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CCC2 ZINC001160336256 1072203592 /nfs/dbraw/zinc/20/35/92/1072203592.db2.gz YRBNIYWKQJGIJD-WCQYABFASA-N 0 3 407.475 -1.651 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160342835 1072203486 /nfs/dbraw/zinc/20/34/86/1072203486.db2.gz DIWGISCNYOERGT-KBXCAEBGSA-N 0 3 407.475 -1.313 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160342836 1072203529 /nfs/dbraw/zinc/20/35/29/1072203529.db2.gz DIWGISCNYOERGT-KDOFPFPSSA-N 0 3 407.475 -1.313 20 0 HAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160342837 1072203521 /nfs/dbraw/zinc/20/35/21/1072203521.db2.gz DIWGISCNYOERGT-KSSFIOAISA-N 0 3 407.475 -1.313 20 0 HAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160342838 1072203543 /nfs/dbraw/zinc/20/35/43/1072203543.db2.gz DIWGISCNYOERGT-RDTXWAMCSA-N 0 3 407.475 -1.313 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343392 1072203498 /nfs/dbraw/zinc/20/34/98/1072203498.db2.gz INGFWFRGCFWUTQ-IHRRRGAJSA-N 0 3 414.470 -1.087 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343393 1072203508 /nfs/dbraw/zinc/20/35/08/1072203508.db2.gz INGFWFRGCFWUTQ-MELADBBJSA-N 0 3 414.470 -1.087 20 0 HAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160346141 1072204033 /nfs/dbraw/zinc/20/40/33/1072204033.db2.gz ZXWPEVRONWOQGD-BEFAXECRSA-N 0 3 404.471 -1.759 20 0 HAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160346142 1072203994 /nfs/dbraw/zinc/20/39/94/1072203994.db2.gz ZXWPEVRONWOQGD-DNVCBOLYSA-N 0 3 404.471 -1.759 20 0 HAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160346143 1072204015 /nfs/dbraw/zinc/20/40/15/1072204015.db2.gz ZXWPEVRONWOQGD-HNAYVOBHSA-N 0 3 404.471 -1.759 20 0 HAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160346144 1072203980 /nfs/dbraw/zinc/20/39/80/1072203980.db2.gz ZXWPEVRONWOQGD-KXBFYZLASA-N 0 3 404.471 -1.759 20 0 HAADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001160380523 1072204597 /nfs/dbraw/zinc/20/45/97/1072204597.db2.gz GEMJNLJWKYBOID-AWEZNQCLSA-N 0 3 409.491 -1.141 20 0 HAADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCn2c(COCC(=O)N(C)C)nnc2C1 ZINC001160380628 1072204515 /nfs/dbraw/zinc/20/45/15/1072204515.db2.gz HTHRWQAQCDXMNW-ZDUSSCGKSA-N 0 3 409.491 -1.285 20 0 HAADHN CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 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COc1ccc(C(=O)N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2)cc1 ZINC001161303495 1072222383 /nfs/dbraw/zinc/22/23/83/1072222383.db2.gz FTVHBVARCXXDJC-WFASDCNBSA-N 0 3 405.455 -1.313 20 0 HAADHN COc1ccnc(OC2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2)n1 ZINC001161369186 1072222955 /nfs/dbraw/zinc/22/29/55/1072222955.db2.gz LQUAKBYBJDRWSC-WCQYABFASA-N 0 3 408.459 -1.048 20 0 HAADHN Cc1cnccc1O[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001161388022 1072223051 /nfs/dbraw/zinc/22/30/51/1072223051.db2.gz VTEBEGHSVIBTSX-CYBMUJFWSA-N 0 3 406.443 -2.323 20 0 HAADHN Cc1cnccc1O[C@H]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C1 ZINC001161388024 1072222925 /nfs/dbraw/zinc/22/29/25/1072222925.db2.gz VTEBEGHSVIBTSX-ZDUSSCGKSA-N 0 3 406.443 -2.323 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN2CC[C@@H]2C1)C(=O)CF ZINC001161423446 1072223740 /nfs/dbraw/zinc/22/37/40/1072223740.db2.gz ANCVZGDODKBIME-LOUJCGABSA-N 0 3 413.494 -1.196 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN2CC[C@H]2C1)C(=O)CF ZINC001161423447 1072223622 /nfs/dbraw/zinc/22/36/22/1072223622.db2.gz ANCVZGDODKBIME-WSMBLCCSSA-N 0 3 413.494 -1.196 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]2C(=O)N(C)C ZINC001161506174 1072224634 /nfs/dbraw/zinc/22/46/34/1072224634.db2.gz BRIHSVDYJKMXBH-DRZSPHRISA-N 0 3 410.475 -2.911 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@@H]2C(=O)N(C)C ZINC001161506175 1072224741 /nfs/dbraw/zinc/22/47/41/1072224741.db2.gz BRIHSVDYJKMXBH-UHTWSYAYSA-N 0 3 410.475 -2.911 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C[C@H]2C(=O)N(C)C ZINC001161506357 1072224718 /nfs/dbraw/zinc/22/47/18/1072224718.db2.gz GPNSYBWMOSACEL-KBPBESRZSA-N 0 3 412.512 -1.842 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C[C@H]2C(=O)N(C)C ZINC001161506358 1072224560 /nfs/dbraw/zinc/22/45/60/1072224560.db2.gz GPNSYBWMOSACEL-KGLIPLIRSA-N 0 3 412.512 -1.842 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C[C@@H]2C(=O)N(C)C ZINC001161506359 1072224705 /nfs/dbraw/zinc/22/47/05/1072224705.db2.gz GPNSYBWMOSACEL-UONOGXRCSA-N 0 3 412.512 -1.842 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C[C@@H]2C(=O)N(C)C ZINC001161506360 1072224672 /nfs/dbraw/zinc/22/46/72/1072224672.db2.gz GPNSYBWMOSACEL-ZIAGYGMSSA-N 0 3 412.512 -1.842 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@H]2C(=O)N(C)C ZINC001161508148 1072225260 /nfs/dbraw/zinc/22/52/60/1072225260.db2.gz XTYJYQFVIOXVDQ-FPMFFAJLSA-N 0 3 424.502 -2.521 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@@H]2C(=O)N(C)C ZINC001161508149 1072225164 /nfs/dbraw/zinc/22/51/64/1072225164.db2.gz XTYJYQFVIOXVDQ-IACUBPJLSA-N 0 3 424.502 -2.521 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C[C@@H]2C(=O)N(C)C ZINC001161508310 1072225319 /nfs/dbraw/zinc/22/53/19/1072225319.db2.gz YDBZLLWWFKZNMU-CFVMTHIKSA-N 0 3 423.514 -1.308 20 0 HAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C[C@H]2C(=O)N(C)C ZINC001161508312 1072225144 /nfs/dbraw/zinc/22/51/44/1072225144.db2.gz YDBZLLWWFKZNMU-QEJZJMRPSA-N 0 3 423.514 -1.308 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC2(CN(C)C2)C1)C(=O)CF ZINC001161532315 1072225698 /nfs/dbraw/zinc/22/56/98/1072225698.db2.gz QIGZXLWDJPSVOO-XEZPLFJOSA-N 0 3 413.494 -1.338 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCNC2(CC2)C1)C(=O)CF ZINC001161548290 1072225744 /nfs/dbraw/zinc/22/57/44/1072225744.db2.gz QHNXDWYBYNGVIA-XEZPLFJOSA-N 0 3 413.494 -1.148 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001164526366 1072236502 /nfs/dbraw/zinc/23/65/02/1072236502.db2.gz FHRWTPKMQKFJQU-UHFFFAOYSA-N 0 3 405.521 -1.947 20 0 HAADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC001167406186 1070821469 /nfs/dbraw/zinc/82/14/69/1070821469.db2.gz YMQLJMIBOQJIMP-AGIUHOORSA-N 0 3 409.443 -1.909 20 0 HAADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC001167406189 1070821771 /nfs/dbraw/zinc/82/17/71/1070821771.db2.gz YMQLJMIBOQJIMP-AVGNSLFASA-N 0 3 409.443 -1.909 20 0 HAADHN COc1ccc(CN2CC[C@H](NCC(=O)NCC(=O)NCC(N)=O)CC2=O)cc1 ZINC001168919484 1071677458 /nfs/dbraw/zinc/67/74/58/1071677458.db2.gz CEPMNACPSVFRMD-AWEZNQCLSA-N 0 3 405.455 -1.507 20 0 HAADHN COc1ccc(CN2CC[C@@H](NCC(=O)NCC(=O)NCC(N)=O)CC2=O)cc1 ZINC001168919485 1071677345 /nfs/dbraw/zinc/67/73/45/1071677345.db2.gz CEPMNACPSVFRMD-CQSZACIVSA-N 0 3 405.455 -1.507 20 0 HAADHN CC(=O)N1CC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001169510665 1071679200 /nfs/dbraw/zinc/67/92/00/1071679200.db2.gz PXHLQQPCNIJKCN-DBGJGPROSA-N 0 3 405.459 -1.278 20 0 HAADHN CC(=O)N1CC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001169510666 1071679216 /nfs/dbraw/zinc/67/92/16/1071679216.db2.gz PXHLQQPCNIJKCN-VTRIPGNTSA-N 0 3 405.459 -1.278 20 0 HAADHN CS(=O)(=O)C1CCC(N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001169864563 1071679769 /nfs/dbraw/zinc/67/97/69/1071679769.db2.gz SZUMUSWLHZMLGY-QVPSWGOESA-N 0 3 403.457 -1.487 20 0 HAADHN NS(=O)(=O)c1ccc(CCNC(=O)CCN2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC001170907081 1071731643 /nfs/dbraw/zinc/73/16/43/1071731643.db2.gz WVVOBORCAINPRF-HZPDHXFCSA-N 0 3 410.496 -1.028 20 0 HAADHN CN1CCN(c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)ncn2)CC1 ZINC001171262299 1071765587 /nfs/dbraw/zinc/76/55/87/1071765587.db2.gz LABHLMYHAUURGA-GAEVZRCVSA-N 0 3 418.458 -2.059 20 0 HAADHN CN1CCN(c2ncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cn2)CC1 ZINC001171262391 1071765560 /nfs/dbraw/zinc/76/55/60/1071765560.db2.gz DNYNCPDMDSJYLI-DTZQCDIJSA-N 0 3 418.458 -2.059 20 0 HAADHN COCCN(C)Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1 ZINC001171263823 1071767143 /nfs/dbraw/zinc/76/71/43/1071767143.db2.gz ULNHUGVHTCVVRC-BNEJOLLZSA-N 0 3 420.470 -1.128 20 0 HAADHN N[C@H]1[C@H](n2ccc(Nc3cnccc3N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264403 1071766842 /nfs/dbraw/zinc/76/68/42/1071766842.db2.gz DRXJQCLCGVVYQH-MWQQHZPXSA-N 0 3 404.427 -1.369 20 0 HAADHN N[C@H]1[C@H](n2ccc(Nc3ccc4c(c3)COC43CNC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266377 1071768337 /nfs/dbraw/zinc/76/83/37/1071768337.db2.gz HJBLIMCQQDCDHE-MWQQHZPXSA-N 0 3 401.423 -1.107 20 0 HAADHN CN1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)nc2)CC1 ZINC001171266410 1071768867 /nfs/dbraw/zinc/76/88/67/1071768867.db2.gz IHFJHWIKMAHEFP-BNEJOLLZSA-N 0 3 417.470 -1.454 20 0 HAADHN CN(C)CCN1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1=O ZINC001171712797 1071779286 /nfs/dbraw/zinc/77/92/86/1071779286.db2.gz DMUNVVJKVCPRBH-UHFFFAOYSA-N 0 3 411.528 -1.302 20 0 HAADHN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172007857 1071779829 /nfs/dbraw/zinc/77/98/29/1071779829.db2.gz XCFUDUIMQDLSHW-GLPNCHDFSA-N 0 3 403.443 -1.229 20 0 HAADHN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172007859 1071779753 /nfs/dbraw/zinc/77/97/53/1071779753.db2.gz XCFUDUIMQDLSHW-XODBAYQWSA-N 0 3 403.443 -1.229 20 0 HAADHN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@@H]2CCN(C3CC3)C(=O)C2)[C@H]1O ZINC001172016538 1071779824 /nfs/dbraw/zinc/77/98/24/1071779824.db2.gz UKMAOLBFSGOVKS-GLPNCHDFSA-N 0 3 403.443 -1.229 20 0 HAADHN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@H]2CCN(C3CC3)C(=O)C2)[C@H]1O ZINC001172016540 1071779820 /nfs/dbraw/zinc/77/98/20/1071779820.db2.gz UKMAOLBFSGOVKS-XODBAYQWSA-N 0 3 403.443 -1.229 20 0 HAADHN O=C(CN1CCC(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1)OCc1ccccc1 ZINC001173465317 1071782075 /nfs/dbraw/zinc/78/20/75/1071782075.db2.gz GCHXHYBVZOJSRI-RUGGUXRKSA-N 0 3 410.467 -1.416 20 0 HAADHN O=C(CN1CCC(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1)OCc1ccccc1 ZINC001173465325 1071782088 /nfs/dbraw/zinc/78/20/88/1071782088.db2.gz GCHXHYBVZOJSRI-YHUYVZNPSA-N 0 3 410.467 -1.416 20 0 HAADHN C[C@]12CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001175249373 1071783249 /nfs/dbraw/zinc/78/32/49/1071783249.db2.gz HDERIQOGJIDTBZ-HDICACEKSA-N 0 3 408.480 -1.023 20 0 HAADHN C[C@]12CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@]1(C)C(=O)NC2=O ZINC001175249374 1071784088 /nfs/dbraw/zinc/78/40/88/1071784088.db2.gz HDERIQOGJIDTBZ-QZTJIDSGSA-N 0 3 408.480 -1.023 20 0 HAADHN C[C@@]12CN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@@]1(C)C(=O)NC2=O ZINC001175249375 1071784047 /nfs/dbraw/zinc/78/40/47/1071784047.db2.gz HDERIQOGJIDTBZ-ROUUACIJSA-N 0 3 408.480 -1.023 20 0 HAADHN COC(=O)/C=C1/SCC(=O)N1CCCNC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001175543398 1071785070 /nfs/dbraw/zinc/78/50/70/1071785070.db2.gz VYMVWOCFDIJQRK-FMIVXFBMSA-N 0 3 405.498 -1.011 20 0 HAADHN COC(=O)/C=C1\SCC(=O)N1CCCNC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001175543402 1071785052 /nfs/dbraw/zinc/78/50/52/1071785052.db2.gz VYMVWOCFDIJQRK-XFXZXTDPSA-N 0 3 405.498 -1.011 20 0 HAADHN Cc1nc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cs1 ZINC001176139643 1071786004 /nfs/dbraw/zinc/78/60/04/1071786004.db2.gz GLTWJFLVGISWFM-SJAJALHSSA-N 0 3 421.439 -1.599 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CCn1cccc1 ZINC001176940790 1071788054 /nfs/dbraw/zinc/78/80/54/1071788054.db2.gz RBNIOCSRMZJIPW-NZLORHDLSA-N 0 3 403.399 -1.715 20 0 HAADHN Cc1ccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cn1 ZINC001177253064 1071788571 /nfs/dbraw/zinc/78/85/71/1071788571.db2.gz LFKVSDRKGPTPLG-PCYKNENESA-N 0 3 415.410 -1.661 20 0 HAADHN Cn1cccc1CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001177322058 1071788941 /nfs/dbraw/zinc/78/89/41/1071788941.db2.gz BZYJCWVTOTVELI-NZLORHDLSA-N 0 3 403.399 -2.026 20 0 HAADHN Cc1cccnc1CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001177460884 1071789469 /nfs/dbraw/zinc/78/94/69/1071789469.db2.gz GDPURTFNNICAAW-PCYKNENESA-N 0 3 415.410 -1.661 20 0 HAADHN C[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1cccnc1 ZINC001177792486 1071790664 /nfs/dbraw/zinc/79/06/64/1071790664.db2.gz FFZWSTYMGIKSEM-AMUQPNJESA-N 0 3 415.410 -1.408 20 0 HAADHN C[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1cccnc1 ZINC001177792490 1071790850 /nfs/dbraw/zinc/79/08/50/1071790850.db2.gz FFZWSTYMGIKSEM-OBAWXXFXSA-N 0 3 415.410 -1.408 20 0 HAADHN Cc1ccnc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001178268535 1071792467 /nfs/dbraw/zinc/79/24/67/1071792467.db2.gz AYGVLDMUBBFCSP-PCYKNENESA-N 0 3 415.410 -1.661 20 0 HAADHN CN1C[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1=O ZINC001178526558 1071793532 /nfs/dbraw/zinc/79/35/32/1071793532.db2.gz XXCNMULWBPAUJS-HQMNMZSFSA-N 0 3 407.387 -3.128 20 0 HAADHN CN1C[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1=O ZINC001178526559 1071793519 /nfs/dbraw/zinc/79/35/19/1071793519.db2.gz XXCNMULWBPAUJS-WEJUVRGFSA-N 0 3 407.387 -3.128 20 0 HAADHN CN1CCCC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178697859 1071794694 /nfs/dbraw/zinc/79/46/94/1071794694.db2.gz PKNMELRSYHZINP-GBPQWNHNSA-N 0 3 407.431 -2.122 20 0 HAADHN CN1CCCC[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178697860 1071794745 /nfs/dbraw/zinc/79/47/45/1071794745.db2.gz PKNMELRSYHZINP-QALRIXGESA-N 0 3 407.431 -2.122 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CCN1CCOC1=O ZINC001178783817 1071794588 /nfs/dbraw/zinc/79/45/88/1071794588.db2.gz FCGGRFSTRWKAHX-NKNIEXMISA-N 0 3 423.386 -2.764 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1CC12CCOCC2 ZINC001179316906 1071796839 /nfs/dbraw/zinc/79/68/39/1071796839.db2.gz DZSQPSPKEDILDB-GBPQWNHNSA-N 0 3 420.426 -1.790 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1CC12CCOCC2 ZINC001179316907 1071796810 /nfs/dbraw/zinc/79/68/10/1071796810.db2.gz DZSQPSPKEDILDB-QALRIXGESA-N 0 3 420.426 -1.790 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001179559960 1071797626 /nfs/dbraw/zinc/79/76/26/1071797626.db2.gz DONUQGZTCZFHBX-MTMFONAQSA-N 0 3 406.399 -2.039 20 0 HAADHN CC(=O)N(C)CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001180230019 1071799205 /nfs/dbraw/zinc/79/92/05/1071799205.db2.gz YOVNSBYAPDWIRH-SJAJALHSSA-N 0 3 409.403 -2.738 20 0 HAADHN CC(C)N1CCN(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180353117 1071800347 /nfs/dbraw/zinc/80/03/47/1071800347.db2.gz WTLGYYHCSZVEHV-IRXDYDNUSA-N 0 3 419.530 -1.061 20 0 HAADHN CC(C)N1CCN(CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180353117 1071800337 /nfs/dbraw/zinc/80/03/37/1071800337.db2.gz WTLGYYHCSZVEHV-IRXDYDNUSA-N 0 3 419.530 -1.061 20 0 HAADHN CCN(CC)CC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001180391001 1071801745 /nfs/dbraw/zinc/80/17/45/1071801745.db2.gz LOCUJJARNRDSDQ-VBVJRUAFSA-N 0 3 407.475 -1.031 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C[C@H]1CCCCO1 ZINC001180414241 1071801764 /nfs/dbraw/zinc/80/17/64/1071801764.db2.gz UDBJWEBJYDPLES-IVFRLUQZSA-N 0 3 408.415 -1.648 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C[C@@H]1CCCCO1 ZINC001180414242 1071801655 /nfs/dbraw/zinc/80/16/55/1071801655.db2.gz UDBJWEBJYDPLES-KSUZXNIZSA-N 0 3 408.415 -1.648 20 0 HAADHN C[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)N1CCCC1 ZINC001180581917 1071803081 /nfs/dbraw/zinc/80/30/81/1071803081.db2.gz GENQSGWTEHCMNE-GBPQWNHNSA-N 0 3 407.431 -2.122 20 0 HAADHN C[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)N1CCCC1 ZINC001180581918 1071802813 /nfs/dbraw/zinc/80/28/13/1071802813.db2.gz GENQSGWTEHCMNE-QALRIXGESA-N 0 3 407.431 -2.122 20 0 HAADHN CN(CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)C1CCCC1 ZINC001180629893 1071805123 /nfs/dbraw/zinc/80/51/23/1071805123.db2.gz DEHRCRZJGOGHDE-PCYKNENESA-N 0 3 421.458 -1.732 20 0 HAADHN CN1CC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1=O ZINC001180637091 1071805051 /nfs/dbraw/zinc/80/50/51/1071805051.db2.gz JRNLNVOFVWFLBX-CNNCEMJQSA-N 0 3 421.414 -2.738 20 0 HAADHN CN1CC[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1=O ZINC001180637092 1071805028 /nfs/dbraw/zinc/80/50/28/1071805028.db2.gz JRNLNVOFVWFLBX-DDLYYXBOSA-N 0 3 421.414 -2.738 20 0 HAADHN CCOC(=O)C(C)(C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001181056772 1071806811 /nfs/dbraw/zinc/80/68/11/1071806811.db2.gz PDHTWIUQNUPGHZ-ISDYYCSASA-N 0 3 424.414 -2.017 20 0 HAADHN C[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)N1CCCC1=O ZINC001181312799 1071807420 /nfs/dbraw/zinc/80/74/20/1071807420.db2.gz IHSCCGMINFQKEC-CNNCEMJQSA-N 0 3 421.414 -2.596 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C1CC2(COC2)C1 ZINC001181616385 1071809508 /nfs/dbraw/zinc/80/95/08/1071809508.db2.gz IGIHGKHIBOGGJZ-XBMUNGEKSA-N 0 3 406.399 -2.180 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@]1(F)Cl ZINC001181666330 1071809479 /nfs/dbraw/zinc/80/94/79/1071809479.db2.gz HYZWNJPKOPKTCK-GCXYLTNVSA-N 0 3 402.770 -1.682 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@]1(F)Cl ZINC001181666335 1071809460 /nfs/dbraw/zinc/80/94/60/1071809460.db2.gz HYZWNJPKOPKTCK-PPNSWAHDSA-N 0 3 402.770 -1.682 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@@]1(F)Cl ZINC001181666336 1071809340 /nfs/dbraw/zinc/80/93/40/1071809340.db2.gz HYZWNJPKOPKTCK-ZWQLMRKBSA-N 0 3 402.770 -1.682 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@@]1(F)Cl ZINC001181666337 1071809198 /nfs/dbraw/zinc/80/91/98/1071809198.db2.gz HYZWNJPKOPKTCK-ZYYRDTTESA-N 0 3 402.770 -1.682 20 0 HAADHN COCC1(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CCC1 ZINC001181952515 1071810800 /nfs/dbraw/zinc/81/08/00/1071810800.db2.gz PHPXCZQBCGOYEQ-RSVSFAPFSA-N 0 3 408.415 -1.790 20 0 HAADHN CCN1CCCC[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001181997274 1071810881 /nfs/dbraw/zinc/81/08/81/1071810881.db2.gz PDEUHVHMIPHIKW-JISVWNMTSA-N 0 3 421.458 -1.732 20 0 HAADHN CCN1CCCC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001181997275 1071810751 /nfs/dbraw/zinc/81/07/51/1071810751.db2.gz PDEUHVHMIPHIKW-ZOKLZRJQSA-N 0 3 421.458 -1.732 20 0 HAADHN CC1(C)C[C@@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CCO1 ZINC001182026282 1071810847 /nfs/dbraw/zinc/81/08/47/1071810847.db2.gz JQWVKEYRQBQWRN-GBPQWNHNSA-N 0 3 422.442 -1.402 20 0 HAADHN CC1(C)C[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CCO1 ZINC001182026297 1071810561 /nfs/dbraw/zinc/81/05/61/1071810561.db2.gz JQWVKEYRQBQWRN-QALRIXGESA-N 0 3 422.442 -1.402 20 0 HAADHN C[C@H]1C(=O)OC[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182092670 1071811944 /nfs/dbraw/zinc/81/19/44/1071811944.db2.gz ZFWICCIDQKLQJO-HORYPIMFSA-N 0 3 408.371 -2.798 20 0 HAADHN C[C@@H]1C(=O)OC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182092671 1071811844 /nfs/dbraw/zinc/81/18/44/1071811844.db2.gz ZFWICCIDQKLQJO-LITMDUTKSA-N 0 3 408.371 -2.798 20 0 HAADHN C[C@@H]1C(=O)OC[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182092672 1071811974 /nfs/dbraw/zinc/81/19/74/1071811974.db2.gz ZFWICCIDQKLQJO-QDPXVVFCSA-N 0 3 408.371 -2.798 20 0 HAADHN C[C@H]1C(=O)OC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182092673 1071812096 /nfs/dbraw/zinc/81/20/96/1071812096.db2.gz ZFWICCIDQKLQJO-XBOOXQJSSA-N 0 3 408.371 -2.798 20 0 HAADHN COC(=O)C(C)(C)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182536082 1071815036 /nfs/dbraw/zinc/81/50/36/1071815036.db2.gz LBBBDUDTYJMYAG-NKNIEXMISA-N 0 3 424.414 -2.017 20 0 HAADHN COC(=O)CC(C)(C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182613106 1071815635 /nfs/dbraw/zinc/81/56/35/1071815635.db2.gz LBWMKBVNCNBIAE-NKNIEXMISA-N 0 3 424.414 -2.017 20 0 HAADHN CC1(C)OC(=O)C[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182758740 1071815584 /nfs/dbraw/zinc/81/55/84/1071815584.db2.gz XEMMBQZQCFZXSA-HQMNMZSFSA-N 0 3 422.398 -2.265 20 0 HAADHN CC1(C)OC(=O)C[C@@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182758755 1071815678 /nfs/dbraw/zinc/81/56/78/1071815678.db2.gz XEMMBQZQCFZXSA-WEJUVRGFSA-N 0 3 422.398 -2.265 20 0 HAADHN CC(C)N1CC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182862284 1071816822 /nfs/dbraw/zinc/81/68/22/1071816822.db2.gz WHSYNGGEYKEAEV-GBPQWNHNSA-N 0 3 407.431 -2.124 20 0 HAADHN CC(C)[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)N(C)C ZINC001183365708 1071820243 /nfs/dbraw/zinc/82/02/43/1071820243.db2.gz LUTCBGRLGRHCAU-BDMGVTFQSA-N 0 3 409.447 -2.021 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C12CCCN1CCC2 ZINC001183558293 1071821586 /nfs/dbraw/zinc/82/15/86/1071821586.db2.gz AXFSQUNBCDSGEX-NDLNZWKESA-N 0 3 419.442 -1.978 20 0 HAADHN C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CC2 ZINC001183656738 1071822035 /nfs/dbraw/zinc/82/20/35/1071822035.db2.gz KAOWESKUMBPDSZ-UHFFFAOYSA-N 0 3 408.390 -1.048 20 0 HAADHN CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CC2 ZINC001183659064 1071822123 /nfs/dbraw/zinc/82/21/23/1071822123.db2.gz ZXMAYKNCMKBFQI-UHFFFAOYSA-N 0 3 424.477 -1.215 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@@]12CCCOC2 ZINC001183735196 1071825016 /nfs/dbraw/zinc/82/50/16/1071825016.db2.gz LLCLZFHHLVJMOI-BJDAQZLQSA-N 0 3 420.426 -1.790 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@]12CCCOC2 ZINC001183735199 1071825089 /nfs/dbraw/zinc/82/50/89/1071825089.db2.gz LLCLZFHHLVJMOI-JRQOIRTGSA-N 0 3 420.426 -1.790 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@]12CCCOC2 ZINC001183735201 1071825029 /nfs/dbraw/zinc/82/50/29/1071825029.db2.gz LLCLZFHHLVJMOI-PBBJJYRFSA-N 0 3 420.426 -1.790 20 0 HAADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@@]12CCCOC2 ZINC001183735202 1071825170 /nfs/dbraw/zinc/82/51/70/1071825170.db2.gz LLCLZFHHLVJMOI-UDNJJLLNSA-N 0 3 420.426 -1.790 20 0 HAADHN CC1(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CCOCC1 ZINC001183843750 1071825433 /nfs/dbraw/zinc/82/54/33/1071825433.db2.gz DWORCEMPMDUETO-NZLORHDLSA-N 0 3 422.442 -1.400 20 0 HAADHN CCOC(=O)[C@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001184227113 1071827585 /nfs/dbraw/zinc/82/75/85/1071827585.db2.gz BTARGDYNOMRNJO-CLGZGCPWSA-N 0 3 410.387 -2.408 20 0 HAADHN CCOC(=O)[C@@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001184227119 1071827644 /nfs/dbraw/zinc/82/76/44/1071827644.db2.gz BTARGDYNOMRNJO-JHCGECABSA-N 0 3 410.387 -2.408 20 0 HAADHN CN1C(=O)CC[C@H]1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001184321063 1071828333 /nfs/dbraw/zinc/82/83/33/1071828333.db2.gz YKAIAPTYJSVIJA-HQMNMZSFSA-N 0 3 407.387 -2.986 20 0 HAADHN CC(C)OC(=O)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001184449268 1071829111 /nfs/dbraw/zinc/82/91/11/1071829111.db2.gz KOOBQYFSMOALDT-DHNQBYQLSA-N 0 3 410.387 -2.265 20 0 HAADHN Cc1ccc(C)c(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)n1 ZINC001184609421 1071829094 /nfs/dbraw/zinc/82/90/94/1071829094.db2.gz NKKJTHXLYYMVJR-HYUUQROLSA-N 0 3 415.410 -1.547 20 0 HAADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001186595354 1071842163 /nfs/dbraw/zinc/84/21/63/1071842163.db2.gz QHYCNPVHAPSXQP-BZSNNMDCSA-N 0 3 419.482 -1.504 20 0 HAADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001186595355 1071842189 /nfs/dbraw/zinc/84/21/89/1071842189.db2.gz QHYCNPVHAPSXQP-KSZLIROESA-N 0 3 419.482 -1.504 20 0 HAADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001186595356 1071842044 /nfs/dbraw/zinc/84/20/44/1071842044.db2.gz QHYCNPVHAPSXQP-KURKYZTESA-N 0 3 419.482 -1.504 20 0 HAADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001186595357 1071842086 /nfs/dbraw/zinc/84/20/86/1071842086.db2.gz QHYCNPVHAPSXQP-SQNIBIBYSA-N 0 3 419.482 -1.504 20 0 HAADHN Cc1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cn1C ZINC001188077517 1071858459 /nfs/dbraw/zinc/85/84/59/1071858459.db2.gz FCFFGMAJDIRQEM-NKTGWMFESA-N 0 3 403.399 -1.911 20 0 HAADHN Cc1cc(C)nc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001188146881 1071858663 /nfs/dbraw/zinc/85/86/63/1071858663.db2.gz 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LJPZFAYCVUNPFK-ISTPORRPSA-N 0 3 417.382 -2.860 20 0 HAADHN CCc1nc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cs1 ZINC001190048713 1071865541 /nfs/dbraw/zinc/86/55/41/1071865541.db2.gz KEXHMMLSWSZODF-FGFNIIOQSA-N 0 3 421.439 -1.540 20 0 HAADHN CS(=O)(=O)N1CCC(NC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001190827943 1071868421 /nfs/dbraw/zinc/86/84/21/1071868421.db2.gz RLWQDMHMUZKSRU-UHFFFAOYSA-N 0 3 415.560 -1.233 20 0 HAADHN CCN1CCN(Cc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001190866015 1071868311 /nfs/dbraw/zinc/86/83/11/1071868311.db2.gz NFWAMAQMFBMWIM-HGJKNBTDSA-N 0 3 409.483 -1.646 20 0 HAADHN CCN1CCN(Cc2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc2)CC1 ZINC001190866017 1071868494 /nfs/dbraw/zinc/86/84/94/1071868494.db2.gz NFWAMAQMFBMWIM-VBEQINLCSA-N 0 3 409.483 -1.646 20 0 HAADHN COc1ccsc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001191765634 1071870525 /nfs/dbraw/zinc/87/05/25/1071870525.db2.gz HFALVQNFTSQRHZ-YEQQSWKOSA-N 0 3 422.423 -1.488 20 0 HAADHN Cc1c(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)ccn1C ZINC001191849251 1071871076 /nfs/dbraw/zinc/87/10/76/1071871076.db2.gz PKIIIAAFUHBUBS-NKTGWMFESA-N 0 3 403.399 -1.911 20 0 HAADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC001192066379 1071871920 /nfs/dbraw/zinc/87/19/20/1071871920.db2.gz IPLWQBBNYVOTRT-UHFFFAOYSA-N 0 3 404.514 -1.011 20 0 HAADHN Cc1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c(C)n1C ZINC001192441581 1071872470 /nfs/dbraw/zinc/87/24/70/1071872470.db2.gz HCMYXFMWCJFZON-YAMOITTJSA-N 0 3 417.426 -1.603 20 0 HAADHN Cc1nc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)sc1C ZINC001192611478 1071873222 /nfs/dbraw/zinc/87/32/22/1071873222.db2.gz YEBJLZUKPGDXGF-YEQQSWKOSA-N 0 3 421.439 -1.485 20 0 HAADHN Cc1sccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001193385411 1071875694 /nfs/dbraw/zinc/87/56/94/1071875694.db2.gz 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PIIHPVFOPBRHDS-BRDADCDLSA-N 0 3 410.467 -1.173 20 0 HAADHN CN(C)CCN1CCN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1=O ZINC001198127719 1071890629 /nfs/dbraw/zinc/89/06/29/1071890629.db2.gz IZOJYLROUQZYHF-UHFFFAOYSA-N 0 3 403.443 -1.130 20 0 HAADHN C[C@@H]1O[C@@H](OCCNC(=O)c2cnccc2N2CCN(C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001199361422 1071893625 /nfs/dbraw/zinc/89/36/25/1071893625.db2.gz WRKMHXDMBYEMOI-LJNYTWTNSA-N 0 3 410.471 -1.593 20 0 HAADHN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=S)NCCN2CCCCC2)c(=O)[nH]1 ZINC001200440599 1072489311 /nfs/dbraw/zinc/48/93/11/1072489311.db2.gz QAUNGZQLHJNKNC-NMFUWQPSSA-N 0 3 413.500 -1.482 20 0 HAADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1=O ZINC001213425177 1072240872 /nfs/dbraw/zinc/24/08/72/1072240872.db2.gz YUXWABVKXHWQLP-GFCCVEGCSA-N 0 3 401.489 -1.419 20 0 HAADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1=O ZINC001213425178 1072240764 /nfs/dbraw/zinc/24/07/64/1072240764.db2.gz YUXWABVKXHWQLP-LBPRGKRZSA-N 0 3 401.489 -1.419 20 0 HAADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC001218195459 1072243359 /nfs/dbraw/zinc/24/33/59/1072243359.db2.gz YZLKBMCMWYPSJN-SCVMZPAESA-N 0 3 414.371 -1.117 20 0 HAADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-] ZINC001218307159 1072243585 /nfs/dbraw/zinc/24/35/85/1072243585.db2.gz YZLKBMCMWYPSJN-JZSSXWJLSA-N 0 3 414.371 -1.117 20 0 HAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nnnn1C ZINC001218496631 1072243898 /nfs/dbraw/zinc/24/38/98/1072243898.db2.gz MSAUZDKIQUKMOA-ZFWWWQNUSA-N 0 3 402.459 -1.024 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nnnn1C)C(=O)CF ZINC001218497819 1072244039 /nfs/dbraw/zinc/24/40/39/1072244039.db2.gz VASKRWMFSSOMBK-AUTRQRHGSA-N 0 3 400.415 -1.950 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nc(N)ccc1I ZINC001218506755 1072244055 /nfs/dbraw/zinc/24/40/55/1072244055.db2.gz ATVZZTDNAVFTGQ-FSPLSTOPSA-N 0 3 420.211 -1.086 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cn1)C(N)=O ZINC001218510764 1072244003 /nfs/dbraw/zinc/24/40/03/1072244003.db2.gz NRKNLUXHSVSVMN-WCQYABFASA-N 0 3 406.443 -1.410 20 0 HAADHN CN1CCN(c2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)nc2)CC1 ZINC001218515161 1072243965 /nfs/dbraw/zinc/24/39/65/1072243965.db2.gz BWRSVTNBAIPQJN-UHFFFAOYSA-N 0 3 420.474 -2.921 20 0 HAADHN COC(=O)c1nc(Br)cnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218523439 1072244133 /nfs/dbraw/zinc/24/41/33/1072244133.db2.gz FGQWLEVSBQHTMS-WDSKDSINSA-N 0 3 417.220 -1.328 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nonc1N)C(=O)CF ZINC001218543493 1072244155 /nfs/dbraw/zinc/24/41/55/1072244155.db2.gz VPVFFMGAFQBAGG-LAEOZQHASA-N 0 3 401.399 -1.508 20 0 HAADHN CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218551347 1072244570 /nfs/dbraw/zinc/24/45/70/1072244570.db2.gz BYACPFNGKPLHMG-WDSKDSINSA-N 0 3 400.417 -1.935 20 0 HAADHN CN1CCN(c2ncccc2NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CC1 ZINC001218555969 1072244695 /nfs/dbraw/zinc/24/46/95/1072244695.db2.gz ODAWYIBUXAQILL-UHFFFAOYSA-N 0 3 420.474 -2.921 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ncnn2c(Br)ccc12)C(N)=O ZINC001218567612 1072244787 /nfs/dbraw/zinc/24/47/87/1072244787.db2.gz SIIRASKDUSBXAU-JGVFFNPUSA-N 0 3 412.248 -1.050 20 0 HAADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC001218572673 1072244542 /nfs/dbraw/zinc/24/45/42/1072244542.db2.gz LSDBOHOLVKZSOB-KBPBESRZSA-N 0 3 418.502 -1.379 20 0 HAADHN CN1CCN(c2cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)ncn2)CC1 ZINC001218573115 1072244645 /nfs/dbraw/zinc/24/46/45/1072244645.db2.gz SHUZEUHSFAYVCH-UHFFFAOYSA-N 0 3 421.462 -3.526 20 0 HAADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC001218579284 1072244818 /nfs/dbraw/zinc/24/48/18/1072244818.db2.gz BLVQOWORIKESEG-ZFWWWQNUSA-N 0 3 418.502 -1.379 20 0 HAADHN CN1CCN(c2ncc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)cn2)CC1 ZINC001218580957 1072245127 /nfs/dbraw/zinc/24/51/27/1072245127.db2.gz YUOSJUSTTPPQJA-UHFFFAOYSA-N 0 3 421.462 -3.526 20 0 HAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1c(N)c(=O)c1=O ZINC001218587963 1072245275 /nfs/dbraw/zinc/24/52/75/1072245275.db2.gz OIJVLCXXZUFILL-JSGCOSHPSA-N 0 3 415.450 -1.370 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1c(N)c(=O)c1=O)C(=O)CF ZINC001218588702 1072245246 /nfs/dbraw/zinc/24/52/46/1072245246.db2.gz XZJJGBQQTXZDFN-LAEOZQHASA-N 0 3 413.406 -2.295 20 0 HAADHN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218660224 1072247450 /nfs/dbraw/zinc/24/74/50/1072247450.db2.gz CPPJRIWTBIGFPJ-JQWIXIFHSA-N 0 3 417.426 -1.241 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncc(N)cc1I ZINC001218678739 1072247483 /nfs/dbraw/zinc/24/74/83/1072247483.db2.gz DKHYSKMAMPTVKT-XNCJUZBTSA-N 0 3 420.211 -1.086 20 0 HAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)n1c(N)c2ncn(COCCO)c2nc1=N ZINC001218704419 1072247915 /nfs/dbraw/zinc/24/79/15/1072247915.db2.gz QOPLGHSQOURTDU-QWRGUYRKSA-N 0 3 408.463 -1.221 20 0 HAADHN N[C@H]1CCCCN(CC(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)C1=O ZINC001218770675 1072248661 /nfs/dbraw/zinc/24/86/61/1072248661.db2.gz LKHJQZIMQWEQBP-ZDUSSCGKSA-N 0 3 405.459 -1.201 20 0 HAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770694 1072248472 /nfs/dbraw/zinc/24/84/72/1072248472.db2.gz LWTKDDIPCODKHP-LRDDRELGSA-N 0 3 407.475 -1.052 20 0 HAADHN O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001218771214 1072249078 /nfs/dbraw/zinc/24/90/78/1072249078.db2.gz WPRWMWZHPONUMU-GFCCVEGCSA-N 0 3 424.483 -1.765 20 0 HAADHN O=C(Nc1ccnc2c(N(CCO)CCO)cnn21)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001218771219 1072249180 /nfs/dbraw/zinc/24/91/80/1072249180.db2.gz WPRWMWZHPONUMU-LBPRGKRZSA-N 0 3 424.483 -1.765 20 0 HAADHN CC(C)C[C@H](N)C(=O)NCC(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771266 1072249208 /nfs/dbraw/zinc/24/92/08/1072249208.db2.gz XFXLIKMUJRXVFE-ZDUSSCGKSA-N 0 3 407.475 -1.052 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1 ZINC001218773608 1072249034 /nfs/dbraw/zinc/24/90/34/1072249034.db2.gz FHLPYTPRVWLVFK-WPRPVWTQSA-N 0 3 419.467 -1.189 20 0 HAADHN CN[C@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)[C@@H](C)O ZINC001218878024 1072253543 /nfs/dbraw/zinc/25/35/43/1072253543.db2.gz YQWBWZRJQPCADU-FWOIEVBISA-N 0 3 400.866 -1.458 20 0 HAADHN CNS(=O)(=O)CCc1ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)cc1 ZINC001218891405 1072254537 /nfs/dbraw/zinc/25/45/37/1072254537.db2.gz OLAYUXNRXOLJHW-SMDDNHRTSA-N 0 3 413.500 -1.186 20 0 HAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC001218988084 1072255358 /nfs/dbraw/zinc/25/53/58/1072255358.db2.gz BYMACNGIBGBLSC-YOEHRIQHSA-N 0 3 420.514 -1.340 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(S(=O)(=O)CCCO)cc1)C(N)=O ZINC001219092592 1072255975 /nfs/dbraw/zinc/25/59/75/1072255975.db2.gz MUYIAIHBWOGTDG-SMDDNHRTSA-N 0 3 414.484 -1.121 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092873 1072255915 /nfs/dbraw/zinc/25/59/15/1072255915.db2.gz WVKQQKWMMRBLQU-GWCFXTLKSA-N 0 3 400.457 -1.511 20 0 HAADHN COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219169667 1072255821 /nfs/dbraw/zinc/25/58/21/1072255821.db2.gz IJZFJBZGYUQRRF-NHYWBVRUSA-N 0 3 421.454 -1.044 20 0 HAADHN COC([O-])=NC(=S)N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])c1ccccc1N ZINC001219552001 1072256574 /nfs/dbraw/zinc/25/65/74/1072256574.db2.gz OJGVREORCSQTCY-WPRPVWTQSA-N 0 3 410.456 -1.050 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCn1ccnc1)C(=O)CF ZINC001219563688 1072256520 /nfs/dbraw/zinc/25/65/20/1072256520.db2.gz HYFJHFQBTYEIHW-XEZPLFJOSA-N 0 3 412.466 -1.099 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1nccn1C)C(=O)CF ZINC001219566105 1072257143 /nfs/dbraw/zinc/25/71/43/1072257143.db2.gz SRXIOQONFUPNKZ-MKBNYLNASA-N 0 3 412.466 -1.062 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCn1ccnn1)C(=O)CF ZINC001219566230 1072257215 /nfs/dbraw/zinc/25/72/15/1072257215.db2.gz XYYTZRDAOMMWMT-HUBLWGQQSA-N 0 3 413.454 -1.704 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC001219567548 1072257237 /nfs/dbraw/zinc/25/72/37/1072257237.db2.gz ODYGMLKKMKWDDA-YOEHRIQHSA-N 0 3 421.498 -1.279 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCS(C)(=O)=O)C(=O)CF ZINC001219608241 1072257284 /nfs/dbraw/zinc/25/72/84/1072257284.db2.gz TVQTWMWQNCAQRR-MJVIPROJSA-N 0 3 424.495 -1.951 20 0 HAADHN N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676277 1072257128 /nfs/dbraw/zinc/25/71/28/1072257128.db2.gz DLGSXLLKPPEFCZ-MRXNPFEDSA-N 0 3 407.496 -1.099 20 0 HAADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676417 1072257873 /nfs/dbraw/zinc/25/78/73/1072257873.db2.gz JSCHDGYUKBJQBV-ZDUSSCGKSA-N 0 3 413.504 -2.335 20 0 HAADHN [NH3+][C@@H](CCCC[N-]C(=O)C(F)(F)F)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678216 1072257963 /nfs/dbraw/zinc/25/79/63/1072257963.db2.gz HPMTYDIDPBNQSV-NSHDSACASA-N 0 3 417.454 -1.486 20 0 HAADHN O=C(NCCS(=O)(=O)N1CCNCC1)c1cnn2c1nccc2[C@@H]1CNCCO1 ZINC001219683263 1072258563 /nfs/dbraw/zinc/25/85/63/1072258563.db2.gz VZTINRUQOBEPAP-HNNXBMFYSA-N 0 3 423.499 -1.645 20 0 HAADHN O=C(NCCS(=O)(=O)N1CCNCC1)c1cnn2c1nccc2[C@H]1CNCCO1 ZINC001219683264 1072258544 /nfs/dbraw/zinc/25/85/44/1072258544.db2.gz VZTINRUQOBEPAP-OAHLLOKOSA-N 0 3 423.499 -1.645 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(C(N)=O)CC1)C(=O)CF ZINC001219683440 1072258387 /nfs/dbraw/zinc/25/83/87/1072258387.db2.gz ZUWGTQBNCRXKGI-KWBADKCTSA-N 0 3 401.439 -1.978 20 0 HAADHN CCOC(=O)CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001219692774 1072258425 /nfs/dbraw/zinc/25/84/25/1072258425.db2.gz IPBKVWMLCTZTOF-MKBNYLNASA-N 0 3 418.466 -1.043 20 0 HAADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219803220 1072259901 /nfs/dbraw/zinc/25/99/01/1072259901.db2.gz NXJPJFKPULSTQC-AWEZNQCLSA-N 0 3 414.470 -1.320 20 0 HAADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219807487 1072259559 /nfs/dbraw/zinc/25/95/59/1072259559.db2.gz GKXVMBOQTHSDLW-JSGCOSHPSA-N 0 3 419.486 -2.193 20 0 HAADHN COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O ZINC001219881298 1072260930 /nfs/dbraw/zinc/26/09/30/1072260930.db2.gz WDHZDHUAKOHYBC-AICCOOGYSA-N 0 3 414.503 -1.106 20 0 HAADHN COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001219897899 1072260898 /nfs/dbraw/zinc/26/08/98/1072260898.db2.gz AHADJWVLUDWSBF-UBHSHLNASA-N 0 3 407.471 -1.824 20 0 HAADHN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001219897900 1072261556 /nfs/dbraw/zinc/26/15/56/1072261556.db2.gz AHADJWVLUDWSBF-YUTCNCBUSA-N 0 3 407.471 -1.824 20 0 HAADHN COCCn1c(=O)ccc2c1CC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001219899374 1072261440 /nfs/dbraw/zinc/26/14/40/1072261440.db2.gz VTSQNTYMYOEWMH-AEGPPILISA-N 0 3 421.498 -1.434 20 0 HAADHN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2 ZINC001219899375 1072261573 /nfs/dbraw/zinc/26/15/73/1072261573.db2.gz VTSQNTYMYOEWMH-NWANDNLSSA-N 0 3 421.498 -1.434 20 0 HAADHN Cc1nonc1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001219948460 1072261329 /nfs/dbraw/zinc/26/13/29/1072261329.db2.gz VUWHQWWTKJKTGP-PGUXBMHVSA-N 0 3 414.438 -1.104 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CCC(=O)N1)C(=O)CF ZINC001219958967 1072262003 /nfs/dbraw/zinc/26/20/03/1072262003.db2.gz CKLLSUDWZSKFQI-BUWBCJGYSA-N 0 3 415.466 -1.717 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CCC(=O)N1)C(=O)CF ZINC001219958968 1072262090 /nfs/dbraw/zinc/26/20/90/1072262090.db2.gz CKLLSUDWZSKFQI-YWDSYVAPSA-N 0 3 415.466 -1.717 20 0 HAADHN CNS(=O)(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001219961807 1072262077 /nfs/dbraw/zinc/26/20/77/1072262077.db2.gz XAHDDALTFWSTFY-IHRRRGAJSA-N 0 3 419.548 -1.479 20 0 HAADHN CNS(=O)(=O)CCNC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001219961851 1072262135 /nfs/dbraw/zinc/26/21/35/1072262135.db2.gz ZLZXMDUVBKAAQC-QWRGUYRKSA-N 0 3 400.592 -1.030 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccncn1)C(=O)CF ZINC001220005164 1072262762 /nfs/dbraw/zinc/26/27/62/1072262762.db2.gz SBZPCOMCSSLTFI-RBOXIYTFSA-N 0 3 410.450 -1.006 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cncnc1)C(=O)CF ZINC001220007432 1072262627 /nfs/dbraw/zinc/26/26/27/1072262627.db2.gz OHDMZZVNUBYTQO-RBOXIYTFSA-N 0 3 410.450 -1.006 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cccnn1)C(=O)CF ZINC001220018917 1072262517 /nfs/dbraw/zinc/26/25/17/1072262517.db2.gz ZGHMXBTWYPZTEJ-RBOXIYTFSA-N 0 3 410.450 -1.006 20 0 HAADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220030363 1072262469 /nfs/dbraw/zinc/26/24/69/1072262469.db2.gz DGBAQIGXSGGQRM-CRWXNKLISA-N 0 3 409.487 -1.223 20 0 HAADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220030364 1072262572 /nfs/dbraw/zinc/26/25/72/1072262572.db2.gz DGBAQIGXSGGQRM-XUXIUFHCSA-N 0 3 409.487 -1.223 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC(C)(C)C(N)=O)C(=O)CF ZINC001220033201 1072262562 /nfs/dbraw/zinc/26/25/62/1072262562.db2.gz JTTHJRYJXBELBM-MJVIPROJSA-N 0 3 417.482 -1.484 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1cc[nH]n1)C(=O)CF ZINC001220062211 1072263283 /nfs/dbraw/zinc/26/32/83/1072263283.db2.gz QFWVPNKJDZHNMM-RBOXIYTFSA-N 0 3 412.466 -1.030 20 0 HAADHN C[C@H]1[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])C(=O)N1S(=O)(=O)[O-] ZINC001220098961 1072263384 /nfs/dbraw/zinc/26/33/84/1072263384.db2.gz AMKXIORDRHBZCC-BJDJZHNGSA-N 0 3 405.477 -2.048 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1O)C(=O)CF ZINC001220099106 1072263333 /nfs/dbraw/zinc/26/33/33/1072263333.db2.gz FDYAJDVCAUVAPQ-AWYNBESOSA-N 0 3 402.467 -1.083 20 0 HAADHN O=C(CNC(=O)[C@@H]1CCS(=O)(=O)C12CNC2)NCC(=O)OCc1ccccc1 ZINC001220104300 1072264058 /nfs/dbraw/zinc/26/40/58/1072264058.db2.gz BPNHHKFKDSNNKW-AWEZNQCLSA-N 0 3 409.464 -1.261 20 0 HAADHN O=C(CNC(=O)[C@H]1CCS(=O)(=O)C12CNC2)NCC(=O)OCc1ccccc1 ZINC001220104301 1072263783 /nfs/dbraw/zinc/26/37/83/1072263783.db2.gz BPNHHKFKDSNNKW-CQSZACIVSA-N 0 3 409.464 -1.261 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106393 1072263923 /nfs/dbraw/zinc/26/39/23/1072263923.db2.gz LVAAOZKKIRUFCP-AAEUAGOBSA-N 0 3 407.427 -2.330 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCC(=O)NCC(=O)OCc1ccccc1)C(N)=O ZINC001220106642 1072263901 /nfs/dbraw/zinc/26/39/01/1072263901.db2.gz WDUGDHRFEYKXHR-GXTWGEPZSA-N 0 3 421.454 -1.940 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1C[C@@](C)(O)C1)C(=O)CF ZINC001220150145 1072264614 /nfs/dbraw/zinc/26/46/14/1072264614.db2.gz RQQCCTYTAVIKSS-MUZANDFQSA-N 0 3 402.467 -1.083 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(CCO)COC1)C(=O)CF ZINC001220173098 1072264448 /nfs/dbraw/zinc/26/44/48/1072264448.db2.gz IOAMVZVGFZGBJP-HUBLWGQQSA-N 0 3 418.466 -1.845 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1CC(=O)C1)C(=O)CF ZINC001220179424 1072264603 /nfs/dbraw/zinc/26/46/03/1072264603.db2.gz KSMDEVCWBNORLA-NKFCBESUSA-N 0 3 400.451 -1.017 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1COCC[C@@H]1O)C(=O)CF ZINC001220181580 1072264681 /nfs/dbraw/zinc/26/46/81/1072264681.db2.gz UWVFOTDSWGKRRS-YTORKDELSA-N 0 3 418.466 -1.846 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[C@@H](O)C1)C(=O)CF ZINC001220191641 1072264562 /nfs/dbraw/zinc/26/45/62/1072264562.db2.gz MKKAAXMVVRHKPL-DJUFWWRVSA-N 0 3 402.467 -1.225 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CNC(=O)C1)C(=O)CF ZINC001220203028 1072265286 /nfs/dbraw/zinc/26/52/86/1072265286.db2.gz TUPBXLHYMYBYRO-BUWBCJGYSA-N 0 3 415.466 -1.860 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CNC(=O)C1)C(=O)CF ZINC001220203029 1072265379 /nfs/dbraw/zinc/26/53/79/1072265379.db2.gz TUPBXLHYMYBYRO-YWDSYVAPSA-N 0 3 415.466 -1.860 20 0 HAADHN CCOC(=O)CC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C(=O)OCC ZINC001220230364 1072265085 /nfs/dbraw/zinc/26/50/85/1072265085.db2.gz IWCYHLSELWQAHS-TUAOUCFPSA-N 0 3 402.448 -1.525 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1OCCO1)C(=O)CF ZINC001220288791 1072265667 /nfs/dbraw/zinc/26/56/67/1072265667.db2.gz ISQWVUMHCDJHFW-PGUXBMHVSA-N 0 3 404.439 -1.623 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1COC(=O)C1)C(=O)CF ZINC001220295924 1072265741 /nfs/dbraw/zinc/26/57/41/1072265741.db2.gz AXVWTLYOVWNYRM-DDIVZENXSA-N 0 3 402.423 -1.680 20 0 HAADHN CCOC(=O)C1(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)CCN(C)CC1 ZINC001220345597 1072266274 /nfs/dbraw/zinc/26/62/74/1072266274.db2.gz JSQJPTMATBXTSC-UHFFFAOYSA-N 0 3 414.463 -3.563 20 0 HAADHN CCOC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)CCN(C)CC1 ZINC001220345838 1072266384 /nfs/dbraw/zinc/26/63/84/1072266384.db2.gz QGOJUNIZXAUURE-KBPBESRZSA-N 0 3 411.503 -1.416 20 0 HAADHN COC(=O)C[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C(=O)OC(C)(C)C ZINC001220381999 1072266418 /nfs/dbraw/zinc/26/64/18/1072266418.db2.gz PBXKEGBCIPFTPU-AXFHLTTASA-N 0 3 402.448 -1.527 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1(O)CCC1)C(=O)CF ZINC001220384136 1072266242 /nfs/dbraw/zinc/26/62/42/1072266242.db2.gz KRPJFJORSSZJNH-HUBLWGQQSA-N 0 3 402.467 -1.081 20 0 HAADHN C=CC(=O)NCCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220396601 1072266082 /nfs/dbraw/zinc/26/60/82/1072266082.db2.gz DYPFVPCKCRDIPL-MKBNYLNASA-N 0 3 415.466 -1.694 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001220415569 1072267019 /nfs/dbraw/zinc/26/70/19/1072267019.db2.gz OVSRTMUJGGRQFV-JQWIXIFHSA-N 0 3 402.411 -1.818 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1cc(=O)n(C)c(=O)n1-c1ccccc1)C(N)=O ZINC001220415693 1072266796 /nfs/dbraw/zinc/26/67/96/1072266796.db2.gz TVOYYTKDAUFPSG-WCQYABFASA-N 0 3 416.438 -1.428 20 0 HAADHN CCCn1c(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)cc(=O)n(CCC)c1=O ZINC001220424419 1072266960 /nfs/dbraw/zinc/26/69/60/1072266960.db2.gz FJCBYQKYHYPKPN-NWDGAFQWSA-N 0 3 410.475 -1.134 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1COCCN1)C(=O)CF ZINC001220428884 1072266854 /nfs/dbraw/zinc/26/68/54/1072266854.db2.gz HBWHYERYUNCKKK-QCQGSNGOSA-N 0 3 417.482 -2.008 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1COCCN1)C(=O)CF ZINC001220428885 1072266929 /nfs/dbraw/zinc/26/69/29/1072266929.db2.gz HBWHYERYUNCKKK-ZWUHOBOKSA-N 0 3 417.482 -2.008 20 0 HAADHN O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1COC2(CNC2)CN1 ZINC001220433858 1072266773 /nfs/dbraw/zinc/26/67/73/1072266773.db2.gz LKSUJHTWESZRDE-INIZCTEOSA-N 0 3 410.496 -1.346 20 0 HAADHN O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1COC2(CNC2)CN1 ZINC001220433859 1072266871 /nfs/dbraw/zinc/26/68/71/1072266871.db2.gz LKSUJHTWESZRDE-MRXNPFEDSA-N 0 3 410.496 -1.346 20 0 HAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CCO ZINC001220448958 1072267370 /nfs/dbraw/zinc/26/73/70/1072267370.db2.gz DIEBVZRFNDHBQH-WMZOPIPTSA-N 0 3 406.483 -1.119 20 0 HAADHN COC(=O)[C@H](COCc1ccccc1)NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001220456160 1072267463 /nfs/dbraw/zinc/26/74/63/1072267463.db2.gz DTSOQXQVFKENND-CFVMTHIKSA-N 0 3 408.455 -1.042 20 0 HAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481301 1072267411 /nfs/dbraw/zinc/26/74/11/1072267411.db2.gz CPTJABLPJDGIGA-VXNCWWDNSA-N 0 3 420.510 -1.233 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](O)C[C@@H]1CO)C(=O)CF ZINC001220481692 1072267443 /nfs/dbraw/zinc/26/74/43/1072267443.db2.gz NOSZEMNNUHINKN-ZWEPEPIOSA-N 0 3 418.466 -2.158 20 0 HAADHN COCCOCCOCCOCCNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001220514986 1072269747 /nfs/dbraw/zinc/26/97/47/1072269747.db2.gz YNYNXUAEOHMAMV-UONOGXRCSA-N 0 3 406.480 -2.104 20 0 HAADHN CN1C[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])OC2(CC[NH2+]CC2)C1 ZINC001220550658 1072270301 /nfs/dbraw/zinc/27/03/01/1072270301.db2.gz CYZOLXDDXRMTLC-GJZGRUSLSA-N 0 3 422.486 -1.519 20 0 HAADHN CN1C[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])OC2(CC[NH2+]CC2)C1 ZINC001220550659 1072270210 /nfs/dbraw/zinc/27/02/10/1072270210.db2.gz CYZOLXDDXRMTLC-LSDHHAIUSA-N 0 3 422.486 -1.519 20 0 HAADHN CC(=O)N1CC(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001220596605 1072270936 /nfs/dbraw/zinc/27/09/36/1072270936.db2.gz ATFMMXHLESIANA-NKFCBESUSA-N 0 3 415.466 -1.765 20 0 HAADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220757103 1072272379 /nfs/dbraw/zinc/27/23/79/1072272379.db2.gz UHBVWQXESQQTAU-AWEZNQCLSA-N 0 3 412.516 -1.449 20 0 HAADHN COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220769999 1072273201 /nfs/dbraw/zinc/27/32/01/1072273201.db2.gz STERBVPROSGUEC-KBPBESRZSA-N 0 3 403.443 -1.052 20 0 HAADHN COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220770000 1072273172 /nfs/dbraw/zinc/27/31/72/1072273172.db2.gz STERBVPROSGUEC-UONOGXRCSA-N 0 3 403.443 -1.052 20 0 HAADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCN1CCNCC1=O ZINC001220874659 1072273162 /nfs/dbraw/zinc/27/31/62/1072273162.db2.gz KSHRIHKACPORJB-STQMWFEESA-N 0 3 405.590 -1.147 20 0 HAADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCN1CCNCC1=O ZINC001220874915 1072273123 /nfs/dbraw/zinc/27/31/23/1072273123.db2.gz QWRCPAVERMRAAA-JYJNAYRXSA-N 0 3 424.546 -1.597 20 0 HAADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876788 1072273808 /nfs/dbraw/zinc/27/38/08/1072273808.db2.gz OLUUBQBXRMQKJO-ZDUSSCGKSA-N 0 3 404.427 -1.628 20 0 HAADHN NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914825 1072273931 /nfs/dbraw/zinc/27/39/31/1072273931.db2.gz BOAUIZNQZMYMNV-AWEZNQCLSA-N 0 3 405.459 -2.921 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220927984 1072274587 /nfs/dbraw/zinc/27/45/87/1072274587.db2.gz BUFGMJKVIDQQRS-WFASDCNBSA-N 0 3 404.471 -1.243 20 0 HAADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)N)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966847 1072274405 /nfs/dbraw/zinc/27/44/05/1072274405.db2.gz IENKGWCLWRTMGA-QSLWVIQJSA-N 0 3 409.443 -1.640 20 0 HAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001220966946 1072275139 /nfs/dbraw/zinc/27/51/39/1072275139.db2.gz LWAASUJPXITXKI-LOISDPQCSA-N 0 3 411.459 -1.488 20 0 HAADHN Cc1cn([C@H]2C[C@H](NC(=O)CNC(=O)[C@@H](N)CC(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967113 1072275191 /nfs/dbraw/zinc/27/51/91/1072275191.db2.gz SFUVVSYFJYAPJW-RMRHIDDWSA-N 0 3 411.459 -1.488 20 0 HAADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3CNCc4ccnn4C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967157 1072275155 /nfs/dbraw/zinc/27/51/55/1072275155.db2.gz UKSDUKWKFZXCTG-FAAHXZRKSA-N 0 3 404.427 -1.362 20 0 HAADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3CNCc4ccnn4C3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967158 1072274993 /nfs/dbraw/zinc/27/49/93/1072274993.db2.gz UKSDUKWKFZXCTG-SPWCGHHHSA-N 0 3 404.427 -1.362 20 0 HAADHN Cc1cn([C@H]2C[C@H](NC(=O)CN3CCCC[C@H](N)C3=O)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967171 1072275004 /nfs/dbraw/zinc/27/50/04/1072275004.db2.gz UUTNUFSQIFTFBL-RMRHIDDWSA-N 0 3 409.443 -1.638 20 0 HAADHN CC(=O)NCCCC[C@H](N)C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001220969248 1072275509 /nfs/dbraw/zinc/27/55/09/1072275509.db2.gz UPSFWANENRSHKG-BYNSBNAKSA-N 0 3 411.459 -1.344 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCc1cccc(N2CCOCC2=O)c1)C(N)=O ZINC001220990324 1072275781 /nfs/dbraw/zinc/27/57/81/1072275781.db2.gz HQYMUVJEGYRWRR-SWLSCSKDSA-N 0 3 405.455 -1.237 20 0 HAADHN COc1ccnc(C2(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCOCC2)c1 ZINC001220992295 1072275796 /nfs/dbraw/zinc/27/57/96/1072275796.db2.gz KYZIKLAAOCLJIY-JSGCOSHPSA-N 0 3 407.471 -1.038 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1)C(N)=O ZINC001221004371 1072275590 /nfs/dbraw/zinc/27/55/90/1072275590.db2.gz OLWJJVTZQXYHHR-LXFSFDBISA-N 0 3 411.503 -1.194 20 0 HAADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)C)CC1 ZINC001221006966 1072275766 /nfs/dbraw/zinc/27/57/66/1072275766.db2.gz PYKHJJGGPSJCLS-VGWMRTNUSA-N 0 3 424.546 -1.454 20 0 HAADHN Cc1nnc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)o1 ZINC001221010163 1072275715 /nfs/dbraw/zinc/27/57/15/1072275715.db2.gz AHXMMCNXOVIUAJ-ZSGNIPIJSA-N 0 3 414.438 -1.104 20 0 HAADHN COCCC1(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CCS(=O)(=O)CC1 ZINC001221028554 1072275750 /nfs/dbraw/zinc/27/57/50/1072275750.db2.gz VATDWUUMJLWWAQ-NWDGAFQWSA-N 0 3 406.505 -1.816 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCc1ccc(N2CCCNC2=O)nc1)C(N)=O ZINC001221153313 1072276307 /nfs/dbraw/zinc/27/63/07/1072276307.db2.gz GQNUAMDLLVIARY-WCQYABFASA-N 0 3 405.459 -1.285 20 0 HAADHN CO[C@@H](CN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001221234024 1072276872 /nfs/dbraw/zinc/27/68/72/1072276872.db2.gz AFXVRERQIPAQMS-AVGNSLFASA-N 0 3 419.548 -1.670 20 0 HAADHN N[C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@H]21 ZINC001221265434 1072277347 /nfs/dbraw/zinc/27/73/47/1072277347.db2.gz MCEBOLABTYLUAC-LOWDOPEQSA-N 0 3 416.267 -1.320 20 0 HAADHN N[C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@H]21 ZINC001221265435 1072277651 /nfs/dbraw/zinc/27/76/51/1072277651.db2.gz MCEBOLABTYLUAC-RVMXOQNASA-N 0 3 416.267 -1.320 20 0 HAADHN N[C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@@H]21 ZINC001221265436 1072277490 /nfs/dbraw/zinc/27/74/90/1072277490.db2.gz MCEBOLABTYLUAC-UMSGYPCISA-N 0 3 416.267 -1.320 20 0 HAADHN N[C@@H](Cc1ccc(I)cc1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@@H]21 ZINC001221265437 1072277563 /nfs/dbraw/zinc/27/75/63/1072277563.db2.gz MCEBOLABTYLUAC-WUHRBBMRSA-N 0 3 416.267 -1.320 20 0 HAADHN N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@@H]21 ZINC001221265636 1072278302 /nfs/dbraw/zinc/27/83/02/1072278302.db2.gz NWPFFVSKGMMOMQ-BSDSXHPESA-N 0 3 400.487 -1.554 20 0 HAADHN N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@H]21 ZINC001221265637 1072278214 /nfs/dbraw/zinc/27/82/14/1072278214.db2.gz NWPFFVSKGMMOMQ-FJIDUMEYSA-N 0 3 400.487 -1.554 20 0 HAADHN N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@H]21 ZINC001221265638 1072278377 /nfs/dbraw/zinc/27/83/77/1072278377.db2.gz NWPFFVSKGMMOMQ-MLHJIOFPSA-N 0 3 400.487 -1.554 20 0 HAADHN N[C@@H](Cc1cn(COCc2ccccc2)cn1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@@H]21 ZINC001221265639 1072278340 /nfs/dbraw/zinc/27/83/40/1072278340.db2.gz NWPFFVSKGMMOMQ-WNRNVDISSA-N 0 3 400.487 -1.554 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1=CC(=O)NCC1)C(=O)CF ZINC001221317050 1072278167 /nfs/dbraw/zinc/27/81/67/1072278167.db2.gz UDWKBUVTEGEMFK-PKWAYOAASA-N 0 3 413.450 -1.592 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1=CCOC1=O)C(=O)CF ZINC001221330398 1072278123 /nfs/dbraw/zinc/27/81/23/1072278123.db2.gz VWKCGJDTMDHWTH-CHIMOYNISA-N 0 3 400.407 -1.555 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]2COC[C@@H]21)C(=O)CF ZINC001221340109 1072278357 /nfs/dbraw/zinc/27/83/57/1072278357.db2.gz TVBMPAJTILRLLW-QTVRJKKOSA-N 0 3 400.451 -1.351 20 0 HAADHN Cn1cncc1C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347723 1072279011 /nfs/dbraw/zinc/27/90/11/1072279011.db2.gz BRKUWUPNLHBFJH-KKUMJFAQSA-N 0 3 402.459 -1.783 20 0 HAADHN Cn1cncc1C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347723 1072279007 /nfs/dbraw/zinc/27/90/07/1072279007.db2.gz BRKUWUPNLHBFJH-KKUMJFAQSA-N 0 3 402.459 -1.783 20 0 HAADHN NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347761 1072278793 /nfs/dbraw/zinc/27/87/93/1072278793.db2.gz CTXUVXCMBHDHLN-IHRRRGAJSA-N 0 3 405.459 -2.137 20 0 HAADHN NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221347761 1072278784 /nfs/dbraw/zinc/27/87/84/1072278784.db2.gz CTXUVXCMBHDHLN-IHRRRGAJSA-N 0 3 405.459 -2.137 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cscn1 ZINC001221347763 1072279261 /nfs/dbraw/zinc/27/92/61/1072279261.db2.gz CZGNHNCGGICKKM-IHRRRGAJSA-N 0 3 405.484 -1.060 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ncn2c1CNCC2 ZINC001221348116 1072279059 /nfs/dbraw/zinc/27/90/59/1072279059.db2.gz GGKWYCOICIEQQV-STQMWFEESA-N 0 3 400.443 -1.473 20 0 HAADHN CCOC(=O)C1(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)CNC1 ZINC001221348200 1072280078 /nfs/dbraw/zinc/28/00/78/1072280078.db2.gz IIBCBGHJCFAQRO-STQMWFEESA-N 0 3 406.443 -1.934 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cnn2c1CNCC2 ZINC001221348202 1072280158 /nfs/dbraw/zinc/28/01/58/1072280158.db2.gz IKRKLOBVCMTWJQ-KBPBESRZSA-N 0 3 400.443 -1.473 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1[nH]nc2c1CNCC2 ZINC001221348429 1072280199 /nfs/dbraw/zinc/28/01/99/1072280199.db2.gz JJCXZTZZEQXPQT-KBPBESRZSA-N 0 3 400.443 -1.404 20 0 HAADHN CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348499 1072279730 /nfs/dbraw/zinc/27/97/30/1072279730.db2.gz KIQQGLHZJCAKAT-KKUMJFAQSA-N 0 3 421.502 -1.597 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001221349144 1072280668 /nfs/dbraw/zinc/28/06/68/1072280668.db2.gz RQLFLBQJKXATIQ-AEOKXSGYSA-N 0 3 406.487 -1.208 20 0 HAADHN CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349220 1072280866 /nfs/dbraw/zinc/28/08/66/1072280866.db2.gz UEQCLFHTOUSEDZ-KKUMJFAQSA-N 0 3 421.502 -1.597 20 0 HAADHN CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349220 1072280851 /nfs/dbraw/zinc/28/08/51/1072280851.db2.gz UEQCLFHTOUSEDZ-KKUMJFAQSA-N 0 3 421.502 -1.597 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1noc2c1CNCC2 ZINC001221349338 1072280538 /nfs/dbraw/zinc/28/05/38/1072280538.db2.gz VYVBDLBHHHDTCD-STQMWFEESA-N 0 3 401.427 -1.139 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001221349367 1072280564 /nfs/dbraw/zinc/28/05/64/1072280564.db2.gz WNDGLWPUOSZJJC-KKUMJFAQSA-N 0 3 419.486 -1.747 20 0 HAADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349469 1072280632 /nfs/dbraw/zinc/28/06/32/1072280632.db2.gz XOLVZDLMCXGEFW-MXAVVETBSA-N 0 3 419.486 -1.749 20 0 HAADHN CC(=O)NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349538 1072280704 /nfs/dbraw/zinc/28/07/04/1072280704.db2.gz YEOLFTYFJFCOFQ-JYJNAYRXSA-N 0 3 421.502 -1.453 20 0 HAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2n(n1)CCNC2 ZINC001221349587 1072280746 /nfs/dbraw/zinc/28/07/46/1072280746.db2.gz ZDAVTDDSAXPGGR-GJZGRUSLSA-N 0 3 400.443 -1.473 20 0 HAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349662 1072281441 /nfs/dbraw/zinc/28/14/41/1072281441.db2.gz FVZRMFIBAOHBHV-NAKRPEOUSA-N 0 3 401.464 -1.955 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(N)=O ZINC001221350652 1072281671 /nfs/dbraw/zinc/28/16/71/1072281671.db2.gz WQWNOQLCELTIJF-FIQHERPVSA-N 0 3 415.491 -1.565 20 0 HAADHN CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001221356977 1072281579 /nfs/dbraw/zinc/28/15/79/1072281579.db2.gz FBDDQUHTQQAGLF-CYBMUJFWSA-N 0 3 414.507 -2.843 20 0 HAADHN CC(C)(C)[C@H](CN1CCOCC1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001221356981 1072281358 /nfs/dbraw/zinc/28/13/58/1072281358.db2.gz FBDDQUHTQQAGLF-ZDUSSCGKSA-N 0 3 414.507 -2.843 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CNC(=O)O1)C(=O)CF ZINC001221368966 1072281656 /nfs/dbraw/zinc/28/16/56/1072281656.db2.gz IWOZSGUAQVQFLH-MIJXAVMKSA-N 0 3 417.438 -1.888 20 0 HAADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CNC(=O)O1)C(=O)CF ZINC001221368972 1072281638 /nfs/dbraw/zinc/28/16/38/1072281638.db2.gz IWOZSGUAQVQFLH-RMIALFOJSA-N 0 3 417.438 -1.888 20 0 HAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1cnn(C)c(=O)c1Br)C(N)=O ZINC001221401179 1072281981 /nfs/dbraw/zinc/28/19/81/1072281981.db2.gz FBGYAPXXBAYSNU-NKWVEPMBSA-N 0 3 403.237 -1.421 20 0 HAADHN Cc1nnc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)[nH]1 ZINC001221407410 1072282269 /nfs/dbraw/zinc/28/22/69/1072282269.db2.gz LPWABIPWYKOHPS-ZSGNIPIJSA-N 0 3 413.454 -1.369 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001221638952 1072282847 /nfs/dbraw/zinc/28/28/47/1072282847.db2.gz KCRXPBLCVFWJJN-KBPBESRZSA-N 0 3 402.521 -1.527 20 0 HAADHN 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1072283219 /nfs/dbraw/zinc/28/32/19/1072283219.db2.gz SDBLYNFEINSZAB-UHFFFAOYSA-N 0 3 404.537 -2.021 20 0 HAADHN CNS(=O)(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001225848948 1072285549 /nfs/dbraw/zinc/28/55/49/1072285549.db2.gz XKEOZIQJFSJUJH-AWEZNQCLSA-N 0 3 404.537 -1.280 20 0 HAADHN CNS(=O)(=O)N1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001225848949 1072285590 /nfs/dbraw/zinc/28/55/90/1072285590.db2.gz XKEOZIQJFSJUJH-CQSZACIVSA-N 0 3 404.537 -1.280 20 0 HAADHN CN(C)CCN1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1=O ZINC001226881915 1072286544 /nfs/dbraw/zinc/28/65/44/1072286544.db2.gz LZSOYAYWRHESDB-UHFFFAOYSA-N 0 3 407.562 -1.220 20 0 HAADHN Cn1cc(CN2CCC3(CC2)COCCN(S(C)(=O)=O)C3)c(=O)n(C)c1=O ZINC001231768546 1072288440 /nfs/dbraw/zinc/28/84/40/1072288440.db2.gz SQNQKDPBZKMNCT-UHFFFAOYSA-N 0 3 400.501 -1.042 20 0 HAADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(C[C@@H]3CNCCO3)C[C@H]21 ZINC001235458660 1072290395 /nfs/dbraw/zinc/29/03/95/1072290395.db2.gz KBIOAQGRIXSAKW-HRCADAONSA-N 0 3 409.512 -1.002 20 0 HAADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(C[C@H]3CNCCO3)C[C@H]21 ZINC001235458665 1072290318 /nfs/dbraw/zinc/29/03/18/1072290318.db2.gz KBIOAQGRIXSAKW-OWCLPIDISA-N 0 3 409.512 -1.002 20 0 HAADHN COC(=O)[C@H](CN)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238036852 1072290846 /nfs/dbraw/zinc/29/08/46/1072290846.db2.gz UVOHKJLFUILKMX-ZDUSSCGKSA-N 0 3 407.470 -1.514 20 0 HAADHN O=S(=O)(N[C@@H]1CNCC[C@H]1O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238045120 1072291041 /nfs/dbraw/zinc/29/10/41/1072291041.db2.gz RFQXMGGBXHRBPY-HUUCEWRRSA-N 0 3 405.498 -1.291 20 0 HAADHN O=S(=O)(NC[C@H]1CNCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238076316 1072291059 /nfs/dbraw/zinc/29/10/59/1072291059.db2.gz SHGFZLNZKVDOOL-CYBMUJFWSA-N 0 3 405.498 -1.026 20 0 HAADHN O=S(=O)(NC[C@@H]1CNCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238076317 1072290763 /nfs/dbraw/zinc/29/07/63/1072290763.db2.gz SHGFZLNZKVDOOL-ZDUSSCGKSA-N 0 3 405.498 -1.026 20 0 HAADHN O=S(=O)(N[C@@H]1CNCCOC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238107785 1072290872 /nfs/dbraw/zinc/29/08/72/1072290872.db2.gz GEXSPQNFWYOQSJ-CYBMUJFWSA-N 0 3 405.498 -1.026 20 0 HAADHN O=S(=O)(N[C@H]1CNCCOC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238107786 1072290714 /nfs/dbraw/zinc/29/07/14/1072290714.db2.gz GEXSPQNFWYOQSJ-ZDUSSCGKSA-N 0 3 405.498 -1.026 20 0 HAADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H](NS(=O)(=O)CCN)C2)c2nonc21 ZINC001238733580 1072292406 /nfs/dbraw/zinc/29/24/06/1072292406.db2.gz HISFJHPINSRUGW-JTQLQIEISA-N 0 3 418.501 -1.070 20 0 HAADHN COCCOCCOCCOCCOCCOCCNS(=O)(=O)CCN ZINC001238886522 1072292541 /nfs/dbraw/zinc/29/25/41/1072292541.db2.gz XZNKNHBTKQYQQN-UHFFFAOYSA-N 0 3 402.510 -1.406 20 0 HAADHN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238915341 1072292970 /nfs/dbraw/zinc/29/29/70/1072292970.db2.gz KYOLIGLASAVPTM-HOTGVXAUSA-N 0 3 412.512 -1.521 20 0 HAADHN NCCS(=O)(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001239075433 1072292991 /nfs/dbraw/zinc/29/29/91/1072292991.db2.gz UJVXTPCEMIZFTL-QWHCGFSZSA-N 0 3 417.513 -1.702 20 0 HAADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)CCN)CC3)C1=O ZINC001239077378 1072293600 /nfs/dbraw/zinc/29/36/00/1072293600.db2.gz MQJNIRWSTYMIRZ-HNNXBMFYSA-N 0 3 408.546 -1.519 20 0 HAADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(S(=O)(=O)CCN)CC3)C1=O ZINC001239077380 1072293654 /nfs/dbraw/zinc/29/36/54/1072293654.db2.gz MQJNIRWSTYMIRZ-OAHLLOKOSA-N 0 3 408.546 -1.519 20 0 HAADHN NCCS(=O)(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001239081775 1072293558 /nfs/dbraw/zinc/29/35/58/1072293558.db2.gz OQXAAYKXGCTNQH-ILXRZTDVSA-N 0 3 402.498 -1.273 20 0 HAADHN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)CCN)CCC2 ZINC001239082929 1072293704 /nfs/dbraw/zinc/29/37/04/1072293704.db2.gz NOOJXOCULAXLLB-UHFFFAOYSA-N 0 3 409.472 -1.599 20 0 HAADHN CN(C)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCN)CC2)c2nonc21 ZINC001239127614 1072294133 /nfs/dbraw/zinc/29/41/33/1072294133.db2.gz JGPKAVZHQRLKNO-UHFFFAOYSA-N 0 3 418.501 -1.116 20 0 HAADHN COC(=O)[C@H]1C[C@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246278756 1072296438 /nfs/dbraw/zinc/29/64/38/1072296438.db2.gz WNZIZRWYASSUGY-DLBZAZTESA-N 0 3 408.492 -1.445 20 0 HAADHN COC(=O)[C@H]1C[C@@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246278757 1072296400 /nfs/dbraw/zinc/29/64/00/1072296400.db2.gz WNZIZRWYASSUGY-IAGOWNOFSA-N 0 3 408.492 -1.445 20 0 HAADHN COC(=O)[C@@H]1C[C@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246278758 1072296419 /nfs/dbraw/zinc/29/64/19/1072296419.db2.gz WNZIZRWYASSUGY-IRXDYDNUSA-N 0 3 408.492 -1.445 20 0 HAADHN COC(=O)[C@@H]1C[C@@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246278759 1072296369 /nfs/dbraw/zinc/29/63/69/1072296369.db2.gz WNZIZRWYASSUGY-SJORKVTESA-N 0 3 408.492 -1.445 20 0 HAADHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CN1 ZINC001246478859 1072297582 /nfs/dbraw/zinc/29/75/82/1072297582.db2.gz BTAXPOGNLJQHCU-PEDHHIEDSA-N 0 3 400.476 -1.169 20 0 HAADHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CN1 ZINC001246478863 1072297568 /nfs/dbraw/zinc/29/75/68/1072297568.db2.gz BTAXPOGNLJQHCU-YHQUGGNUSA-N 0 3 400.476 -1.169 20 0 HAADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCNC(=O)C12CNC2 ZINC001246637152 1072298709 /nfs/dbraw/zinc/29/87/09/1072298709.db2.gz OVKWHYCNSRSPSM-CYBMUJFWSA-N 0 3 403.487 -1.234 20 0 HAADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCNC(=O)C12CNC2 ZINC001246637163 1072298645 /nfs/dbraw/zinc/29/86/45/1072298645.db2.gz OVKWHYCNSRSPSM-ZDUSSCGKSA-N 0 3 403.487 -1.234 20 0 HAADHN C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247007837 1072299823 /nfs/dbraw/zinc/29/98/23/1072299823.db2.gz FOVHVKAJMGBIHR-JJHQXXDFSA-N 0 3 424.483 -2.033 20 0 HAADHN C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247007842 1072299844 /nfs/dbraw/zinc/29/98/44/1072299844.db2.gz FOVHVKAJMGBIHR-RHPZDQPFSA-N 0 3 424.483 -2.033 20 0 HAADHN CC1(C)O[C@H]2O[C@@H]3[C@@H](N4C[C@@]56CNC[C@@H](C[C@@H]5S4(=O)=O)O6)C(=O)O[C@@H]3[C@H]2O1 ZINC001247013822 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1072403702 /nfs/dbraw/zinc/40/37/02/1072403702.db2.gz XYHKMMUOIPICQR-UHFFFAOYSA-N 0 3 400.505 -1.512 20 0 HAADHN CNS(=O)(=O)[C@H]1CCN(CC2(CN3CC[C@H](S(=O)(=O)NC)C3)COC2)C1 ZINC001320004358 1072416328 /nfs/dbraw/zinc/41/63/28/1072416328.db2.gz PXHBJWCFQINXOA-KBPBESRZSA-N 0 3 410.562 -1.750 20 0 HAADHN CNS(=O)(=O)[C@@H]1CCN(CC2(CN3CC[C@H](S(=O)(=O)NC)C3)COC2)C1 ZINC001320004359 1072416305 /nfs/dbraw/zinc/41/63/05/1072416305.db2.gz PXHBJWCFQINXOA-OKILXGFUSA-N 0 3 410.562 -1.750 20 0 HAADHN CNS(=O)(=O)[C@@H]1CCN(CC2(CN3CC[C@@H](S(=O)(=O)NC)C3)COC2)C1 ZINC001320004360 1072416288 /nfs/dbraw/zinc/41/62/88/1072416288.db2.gz PXHBJWCFQINXOA-ZIAGYGMSSA-N 0 3 410.562 -1.750 20 0 HAADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@@]3(O)CCN(C)C3)CC2)cn1 ZINC001320343551 1072419004 /nfs/dbraw/zinc/41/90/04/1072419004.db2.gz PKIJPUJIDTWQRP-INIZCTEOSA-N 0 3 400.505 -1.061 20 0 HAADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@]3(O)CCN(C)C3)CC2)cn1 ZINC001320343552 1072419069 /nfs/dbraw/zinc/41/90/69/1072419069.db2.gz PKIJPUJIDTWQRP-MRXNPFEDSA-N 0 3 400.505 -1.061 20 0 HAADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCCCN1CCN(C)CC1)C2 ZINC001320935996 1072425252 /nfs/dbraw/zinc/42/52/52/1072425252.db2.gz NLTBYIFSKVQZNG-UHFFFAOYSA-N 0 3 422.534 -1.314 20 0 HAADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001320936147 1072425215 /nfs/dbraw/zinc/42/52/15/1072425215.db2.gz SGPJTMBZGZNAOQ-HNNXBMFYSA-N 0 3 422.534 -1.316 20 0 HAADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001320936149 1072425359 /nfs/dbraw/zinc/42/53/59/1072425359.db2.gz SGPJTMBZGZNAOQ-OAHLLOKOSA-N 0 3 422.534 -1.316 20 0 HAADHN CN1CCN(CCCCNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001321993630 1072433547 /nfs/dbraw/zinc/43/35/47/1072433547.db2.gz XBIVHXKFVYNUEY-UHFFFAOYSA-N 0 3 405.503 -1.032 20 0 HAADHN CCN1CCN(CCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC001322788253 1072439465 /nfs/dbraw/zinc/43/94/65/1072439465.db2.gz REMNEBKECXWCLV-UHFFFAOYSA-N 0 3 411.484 -1.004 20 0 HAADHN C[C@H](CNC(=O)COCC(=O)NC[C@@H](C)N1CCN(C)CC1)N1CCN(C)CC1 ZINC001322868514 1072439884 /nfs/dbraw/zinc/43/98/84/1072439884.db2.gz MVUSBSBMEZNSFC-QZTJIDSGSA-N 0 3 412.579 -1.493 20 0 HAADHN C[C@@H](CNC(=O)COCC(=O)NC[C@H](C)N1CCN(C)CC1)N1CCN(C)CC1 ZINC001322868518 1072439860 /nfs/dbraw/zinc/43/98/60/1072439860.db2.gz MVUSBSBMEZNSFC-ROUUACIJSA-N 0 3 412.579 -1.493 20 0 HAADHN CN(CCCN1CCN(C)CC1)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001323550876 1072443775 /nfs/dbraw/zinc/44/37/75/1072443775.db2.gz ILRGGWIYXFCPFH-GOSISDBHSA-N 0 3 415.604 -1.113 20 0 HAADHN CN(CCCN1CCN(C)CC1)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001323550877 1072443803 /nfs/dbraw/zinc/44/38/03/1072443803.db2.gz ILRGGWIYXFCPFH-SFHVURJKSA-N 0 3 415.604 -1.113 20 0 HAADHN C[C@H](CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323672424 1072445078 /nfs/dbraw/zinc/44/50/78/1072445078.db2.gz AAWLZKYJJCJTIR-CABCVRRESA-N 0 3 403.549 -1.138 20 0 HAADHN C[C@@H](CNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323672427 1072445144 /nfs/dbraw/zinc/44/51/44/1072445144.db2.gz AAWLZKYJJCJTIR-GJZGRUSLSA-N 0 3 403.549 -1.138 20 0 HAADHN C[C@H](CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323672428 1072445113 /nfs/dbraw/zinc/44/51/13/1072445113.db2.gz AAWLZKYJJCJTIR-HUUCEWRRSA-N 0 3 403.549 -1.138 20 0 HAADHN C[C@@H](CNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)CN1CCN(C)CC1 ZINC001323672429 1072445135 /nfs/dbraw/zinc/44/51/35/1072445135.db2.gz AAWLZKYJJCJTIR-LSDHHAIUSA-N 0 3 403.549 -1.138 20 0 HAADHN CNS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001325889126 1072456649 /nfs/dbraw/zinc/45/66/49/1072456649.db2.gz ZGGSLQBDGPDCGF-HNNXBMFYSA-N 0 3 401.533 -1.072 20 0 HAADHN CNS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001325889128 1072456824 /nfs/dbraw/zinc/45/68/24/1072456824.db2.gz ZGGSLQBDGPDCGF-OAHLLOKOSA-N 0 3 401.533 -1.072 20 0 HAADHN C[C@H](CN1CCN(C)CC1)NC(=O)COCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001326910982 1072459284 /nfs/dbraw/zinc/45/92/84/1072459284.db2.gz QFLMEWNAGJSCNV-HDICACEKSA-N 0 3 412.579 -1.493 20 0 HAADHN C[C@H](CN1CCN(C)CC1)NC(=O)COCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC001326911028 1072459251 /nfs/dbraw/zinc/45/92/51/1072459251.db2.gz QFLMEWNAGJSCNV-QZTJIDSGSA-N 0 3 412.579 -1.493 20 0 HAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)COCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001326911029 1072459312 /nfs/dbraw/zinc/45/93/12/1072459312.db2.gz QFLMEWNAGJSCNV-ROUUACIJSA-N 0 3 412.579 -1.493 20 0 HAADHN CN1CCN(C2CN(C(=O)CSCC(=O)N3CC(N4CCN(C)CC4)C3)C2)CC1 ZINC001327914226 1072461847 /nfs/dbraw/zinc/46/18/47/1072461847.db2.gz SMYSGENGXUESFE-UHFFFAOYSA-N 0 3 424.615 -1.364 20 0 HAADHN CS(=O)(=O)N[C@H]1CCN(CC2(CN3CC[C@H](NS(C)(=O)=O)C3)COC2)C1 ZINC001342139997 1072480570 /nfs/dbraw/zinc/48/05/70/1072480570.db2.gz PXQYIBQJJNYQLM-KBPBESRZSA-N 0 3 410.562 -1.750 20 0 HAADHN CS(=O)(=O)N[C@@H]1CCN(CC2(CN3CC[C@H](NS(C)(=O)=O)C3)COC2)C1 ZINC001342139998 1072480607 /nfs/dbraw/zinc/48/06/07/1072480607.db2.gz 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ZINC001468042368 1072526563 /nfs/dbraw/zinc/52/65/63/1072526563.db2.gz RUIPLKMWFHOCFZ-BRWVUGGUSA-N 0 3 406.487 -1.371 20 0 HAADHN Cc1nc(S(=O)(=O)NCC(=O)NCC(=O)NCCN2CCCCC2)cn1C ZINC001468042713 1072526609 /nfs/dbraw/zinc/52/66/09/1072526609.db2.gz YFPFKACWSRTIFC-UHFFFAOYSA-N 0 3 400.505 -1.275 20 0 HAADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001468380297 1072526990 /nfs/dbraw/zinc/52/69/90/1072526990.db2.gz IENSWMKMBXTHJR-UHFFFAOYSA-N 0 3 403.549 -1.474 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001468452144 1072527026 /nfs/dbraw/zinc/52/70/26/1072527026.db2.gz HTUZUFJJFVCBIU-BEFAXECRSA-N 0 3 411.503 -1.144 20 0 HAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001468452149 1072527101 /nfs/dbraw/zinc/52/71/01/1072527101.db2.gz HTUZUFJJFVCBIU-DNVCBOLYSA-N 0 3 411.503 -1.144 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001468452150 1072527156 /nfs/dbraw/zinc/52/71/56/1072527156.db2.gz HTUZUFJJFVCBIU-HNAYVOBHSA-N 0 3 411.503 -1.144 20 0 HAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001468452151 1072527200 /nfs/dbraw/zinc/52/72/00/1072527200.db2.gz HTUZUFJJFVCBIU-KXBFYZLASA-N 0 3 411.503 -1.144 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001471184616 1072532955 /nfs/dbraw/zinc/53/29/55/1072532955.db2.gz QRASGNTWHLLYTK-CYBMUJFWSA-N 0 3 402.459 -1.124 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nnc3c(=O)n(C)ccn23)CC1 ZINC001471184617 1072533021 /nfs/dbraw/zinc/53/30/21/1072533021.db2.gz QRASGNTWHLLYTK-ZDUSSCGKSA-N 0 3 402.459 -1.124 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001471378674 1072534149 /nfs/dbraw/zinc/53/41/49/1072534149.db2.gz PLUVMSQSERRQAX-CYBMUJFWSA-N 0 3 423.561 -1.008 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1 ZINC001471378677 1072533923 /nfs/dbraw/zinc/53/39/23/1072533923.db2.gz PLUVMSQSERRQAX-ZDUSSCGKSA-N 0 3 423.561 -1.008 20 0 HAADHN 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1072679999 /nfs/dbraw/zinc/67/99/99/1072679999.db2.gz KJLFNTARVBANCB-BZUAXINKSA-N 0 3 406.487 -1.289 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CC1=O ZINC001625694370 1072680072 /nfs/dbraw/zinc/68/00/72/1072680072.db2.gz KJLFNTARVBANCB-OAGGEKHMSA-N 0 3 406.487 -1.289 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CC1=O ZINC001625694371 1072680124 /nfs/dbraw/zinc/68/01/24/1072680124.db2.gz KJLFNTARVBANCB-OWCLPIDISA-N 0 3 406.487 -1.289 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1=O ZINC001625694373 1072680047 /nfs/dbraw/zinc/68/00/47/1072680047.db2.gz KJLFNTARVBANCB-PMPSAXMXSA-N 0 3 406.487 -1.289 20 0 HAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN(C(=O)CN4CCCC4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001628009252 1072684884 /nfs/dbraw/zinc/68/48/84/1072684884.db2.gz BIPAGPQZDIAKKE-KZNAEPCWSA-N 0 3 418.498 -1.323 20 0 HAADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)s1 ZINC001628120967 1072685511 /nfs/dbraw/zinc/68/55/11/1072685511.db2.gz SHJMVPOFVCZXKR-QWHCGFSZSA-N 0 3 416.525 -1.060 20 0 HAADHN CN1CCN(CC2CN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)C2)CC1 ZINC001628386934 1072686018 /nfs/dbraw/zinc/68/60/18/1072686018.db2.gz ACNWVBFYHLANND-UHFFFAOYSA-N 0 3 423.495 -1.052 20 0 HAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001628988135 1072687549 /nfs/dbraw/zinc/68/75/49/1072687549.db2.gz CIORFWYMANCDAW-KBPBESRZSA-N 0 3 402.517 -1.500 20 0 HAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001628988136 1072687648 /nfs/dbraw/zinc/68/76/48/1072687648.db2.gz CIORFWYMANCDAW-KGLIPLIRSA-N 0 3 402.517 -1.500 20 0 HAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001628988137 1072687628 /nfs/dbraw/zinc/68/76/28/1072687628.db2.gz CIORFWYMANCDAW-UONOGXRCSA-N 0 3 402.517 -1.500 20 0 HAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001628988138 1072687565 /nfs/dbraw/zinc/68/75/65/1072687565.db2.gz CIORFWYMANCDAW-ZIAGYGMSSA-N 0 3 402.517 -1.500 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1=O ZINC001629137058 1072687713 /nfs/dbraw/zinc/68/77/13/1072687713.db2.gz VBFPWHLNPFHGOU-CVEARBPZSA-N 0 3 411.503 -1.591 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)CC1=O ZINC001629137059 1072687503 /nfs/dbraw/zinc/68/75/03/1072687503.db2.gz VBFPWHLNPFHGOU-HOTGVXAUSA-N 0 3 411.503 -1.591 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1=O ZINC001629137060 1072688022 /nfs/dbraw/zinc/68/80/22/1072688022.db2.gz VBFPWHLNPFHGOU-HZPDHXFCSA-N 0 3 411.503 -1.591 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)CC1=O ZINC001629137061 1072688174 /nfs/dbraw/zinc/68/81/74/1072688174.db2.gz VBFPWHLNPFHGOU-JKSUJKDBSA-N 0 3 411.503 -1.591 20 0 HAADHN CN(CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1CCC[C@H]1O ZINC001629829176 1072690344 /nfs/dbraw/zinc/69/03/44/1072690344.db2.gz GBMDZOXXVSGYEK-HZPDHXFCSA-N 0 3 403.549 -1.532 20 0 HAADHN CN1CCN(C2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001630789891 1072693788 /nfs/dbraw/zinc/69/37/88/1072693788.db2.gz PNQKLKPWTSKYSW-UHFFFAOYSA-N 0 3 416.592 -1.015 20 0 HAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001630804897 1072693704 /nfs/dbraw/zinc/69/37/04/1072693704.db2.gz FWMRSMNWPGFKLK-CHWSQXEVSA-N 0 3 413.500 -1.270 20 0 HAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001630804898 1072693726 /nfs/dbraw/zinc/69/37/26/1072693726.db2.gz FWMRSMNWPGFKLK-OLZOCXBDSA-N 0 3 413.500 -1.270 20 0 HAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001630804899 1072694256 /nfs/dbraw/zinc/69/42/56/1072694256.db2.gz FWMRSMNWPGFKLK-QWHCGFSZSA-N 0 3 413.500 -1.270 20 0 HAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001630804900 1072694299 /nfs/dbraw/zinc/69/42/99/1072694299.db2.gz FWMRSMNWPGFKLK-STQMWFEESA-N 0 3 413.500 -1.270 20 0 HAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001631900034 1072696460 /nfs/dbraw/zinc/69/64/60/1072696460.db2.gz LDWBFNDQXFVNLD-QBPKDAKJSA-N 0 3 418.498 -1.149 20 0 HAADHN Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001631900035 1072696523 /nfs/dbraw/zinc/69/65/23/1072696523.db2.gz LDWBFNDQXFVNLD-YLFCFFPRSA-N 0 3 418.498 -1.149 20 0 HAADHN CN(C)CCN1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC001631969053 1072696401 /nfs/dbraw/zinc/69/64/01/1072696401.db2.gz GEMGYGBJGDUFLB-GOSISDBHSA-N 0 3 409.487 -1.166 20 0 HAADHN CN(C)CCN1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1=O ZINC001631969054 1072696507 /nfs/dbraw/zinc/69/65/07/1072696507.db2.gz GEMGYGBJGDUFLB-SFHVURJKSA-N 0 3 409.487 -1.166 20 0 HAADHN CN1CCn2ncc(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)c2S1(=O)=O ZINC001632468791 1072697470 /nfs/dbraw/zinc/69/74/70/1072697470.db2.gz LLYJMBRXADKJAO-UHFFFAOYSA-N 0 3 410.500 -1.103 20 0 HAADHN O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN(S(=O)(=O)c2nc[n-]n2)CC1 ZINC001633788010 1072702404 /nfs/dbraw/zinc/70/24/04/1072702404.db2.gz SXZKEWNGEAIBAE-KGLIPLIRSA-N 0 3 414.488 -1.483 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC1=O ZINC001636696091 1072711209 /nfs/dbraw/zinc/71/12/09/1072711209.db2.gz HJVOPJYPXCKKNF-CZJPOVKDSA-N 0 3 414.528 -1.276 20 0 HAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC1=O ZINC001636696092 1072711230 /nfs/dbraw/zinc/71/12/30/1072711230.db2.gz HJVOPJYPXCKKNF-DWBBHFSCSA-N 0 3 414.528 -1.276 20 0 HAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC1=O ZINC001636696093 1072711264 /nfs/dbraw/zinc/71/12/64/1072711264.db2.gz HJVOPJYPXCKKNF-FMHYQEOESA-N 0 3 414.528 -1.276 20 0 HAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)CC1=O ZINC001636696094 1072711290 /nfs/dbraw/zinc/71/12/90/1072711290.db2.gz HJVOPJYPXCKKNF-VUULHSHRSA-N 0 3 414.528 -1.276 20 0 HAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001636925609 1072712234 /nfs/dbraw/zinc/71/22/34/1072712234.db2.gz IIDVXPFJLOJNLT-AWEZNQCLSA-N 0 3 410.500 -1.104 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC1 ZINC001636925610 1072712280 /nfs/dbraw/zinc/71/22/80/1072712280.db2.gz IIDVXPFJLOJNLT-CQSZACIVSA-N 0 3 410.500 -1.104 20 0 HAADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC001636961940 1072712322 /nfs/dbraw/zinc/71/23/22/1072712322.db2.gz BJPSTSMRWBLKLN-CYBMUJFWSA-N 0 3 419.525 -1.059 20 0 HAADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCC2)c1 ZINC001636961941 1072712382 /nfs/dbraw/zinc/71/23/82/1072712382.db2.gz BJPSTSMRWBLKLN-ZDUSSCGKSA-N 0 3 419.525 -1.059 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2cccc(C(=O)OC)c2=O)CC1=O ZINC001637139360 1072712863 /nfs/dbraw/zinc/71/28/63/1072712863.db2.gz PGSVQOCGMUMQDD-AWEZNQCLSA-N 0 3 408.455 -1.070 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2cccc(C(=O)OC)c2=O)CC1=O ZINC001637139361 1072712800 /nfs/dbraw/zinc/71/28/00/1072712800.db2.gz PGSVQOCGMUMQDD-CQSZACIVSA-N 0 3 408.455 -1.070 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1=O ZINC001637139908 1072712953 /nfs/dbraw/zinc/71/29/53/1072712953.db2.gz UBTZBNWPBSSKHV-HNNXBMFYSA-N 0 3 419.548 -2.141 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1=O ZINC001637139911 1072713712 /nfs/dbraw/zinc/71/37/12/1072713712.db2.gz UBTZBNWPBSSKHV-OAHLLOKOSA-N 0 3 419.548 -2.141 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)C2=CN(C)S(=O)(=O)N=C2C)CC1=O ZINC001637140107 1072713669 /nfs/dbraw/zinc/71/36/69/1072713669.db2.gz WYRTVXBFYCBIJE-CYBMUJFWSA-N 0 3 401.489 -1.183 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=CN(C)S(=O)(=O)N=C2C)CC1=O ZINC001637140108 1072713538 /nfs/dbraw/zinc/71/35/38/1072713538.db2.gz WYRTVXBFYCBIJE-ZDUSSCGKSA-N 0 3 401.489 -1.183 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1=O ZINC001637140132 1072713429 /nfs/dbraw/zinc/71/34/29/1072713429.db2.gz XQROSIFTYWQGBV-CABCVRRESA-N 0 3 412.487 -1.307 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)CC1=O ZINC001637140133 1072713384 /nfs/dbraw/zinc/71/33/84/1072713384.db2.gz XQROSIFTYWQGBV-GJZGRUSLSA-N 0 3 412.487 -1.307 20 0 HAADHN COCCN(C)CCN1C[C@H](NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1=O ZINC001637140134 1072713598 /nfs/dbraw/zinc/71/35/98/1072713598.db2.gz XQROSIFTYWQGBV-HUUCEWRRSA-N 0 3 412.487 -1.307 20 0 HAADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)CC1=O ZINC001637140135 1072713507 /nfs/dbraw/zinc/71/35/07/1072713507.db2.gz XQROSIFTYWQGBV-LSDHHAIUSA-N 0 3 412.487 -1.307 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC001637744232 1072715033 /nfs/dbraw/zinc/71/50/33/1072715033.db2.gz YFHNTRWWWMRNRL-BEFAXECRSA-N 0 3 409.487 -1.438 20 0 HAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@]23COCCN2C(=O)COC3)CC1 ZINC001637744233 1072715069 /nfs/dbraw/zinc/71/50/69/1072715069.db2.gz YFHNTRWWWMRNRL-DNVCBOLYSA-N 0 3 409.487 -1.438 20 0 HAADHN 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