smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCN1CCCS1(=O)=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000061038615 1073501857 /nfs/dbraw/zinc/50/18/57/1073501857.db2.gz ZRGJXFHEJLCRSJ-UHFFFAOYSA-N 0 0 400.476 0.497 20 10 HCCDRN O=C(NCCN1CCCS1(=O)=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000061039155 1073501643 /nfs/dbraw/zinc/50/16/43/1073501643.db2.gz UBNNUKQMHVOVFO-UHFFFAOYSA-N 0 0 410.540 0.730 20 10 HCCDRN COc1ccc(N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000063616944 1074397172 /nfs/dbraw/zinc/39/71/72/1074397172.db2.gz ZQLATLMGEJEVGM-MRXNPFEDSA-N 0 0 411.524 0.471 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](N4CCNC4=O)C3)CC2)cc1 ZINC000139080220 1077548585 /nfs/dbraw/zinc/54/85/85/1077548585.db2.gz PNTQNQTVYDGZOQ-SFHVURJKSA-N 0 0 401.511 0.833 20 10 HCCDRN COc1ccc(N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1OC ZINC000140301797 1080294421 /nfs/dbraw/zinc/29/44/21/1080294421.db2.gz ZQLATLMGEJEVGM-INIZCTEOSA-N 0 0 411.524 0.471 20 10 HCCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)C1=S=C(NC(=O)c2ccc(OC)cc2)C=C1 ZINC000466274643 1081055533 /nfs/dbraw/zinc/05/55/33/1081055533.db2.gz QWJSNULAPXIOAP-GFCCVEGCSA-N 0 0 410.517 0.970 20 10 HCCDRN CCS(=O)(=O)C[C@H](C)NC(=O)C1=S=C(NC(=O)c2ccc(OC)cc2)C=C1 ZINC000466274648 1081055435 /nfs/dbraw/zinc/05/54/35/1081055435.db2.gz QWJSNULAPXIOAP-LBPRGKRZSA-N 0 0 410.517 0.970 20 10 HCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)N[C@]3(C)CCS(=O)(=O)C3)C=C2)cc1 ZINC000466302758 1081070978 /nfs/dbraw/zinc/07/09/78/1081070978.db2.gz KICQWTARIWSFRC-GOSISDBHSA-N 0 0 408.501 0.724 20 10 HCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C=C2)cc1 ZINC000466302759 1081071114 /nfs/dbraw/zinc/07/11/14/1081071114.db2.gz KICQWTARIWSFRC-SFHVURJKSA-N 0 0 408.501 0.724 20 10 HCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)NC[C@H]3CCS(=O)(=O)C3)C=C2)cc1 ZINC000466398734 1081127127 /nfs/dbraw/zinc/12/71/27/1081127127.db2.gz JPQXWRDKJDYQOF-GFCCVEGCSA-N 0 0 408.501 0.581 20 10 HCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)NC[C@@H]3CCS(=O)(=O)C3)C=C2)cc1 ZINC000466398739 1081127265 /nfs/dbraw/zinc/12/72/65/1081127265.db2.gz JPQXWRDKJDYQOF-LBPRGKRZSA-N 0 0 408.501 0.581 20 10 HCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)NC3CCS(=O)(=O)CC3)C=C2)cc1 ZINC000466988786 1075692885 /nfs/dbraw/zinc/69/28/85/1075692885.db2.gz UGVCLLKCBWHSSX-UHFFFAOYSA-N 0 0 408.501 0.724 20 10 HCCDRN COc1ccc(C(=O)NC2=S=C(C(=O)NCC3CN(S(C)(=O)=O)C3)C=C2)cc1 ZINC000494242917 1077462944 /nfs/dbraw/zinc/46/29/44/1077462944.db2.gz WIEWTPCBRUVUEV-UHFFFAOYSA-N 0 0 423.516 0.038 20 10 HCCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000495805384 1077915400 /nfs/dbraw/zinc/91/54/00/1077915400.db2.gz ZABQDKGZMDVIFG-UHFFFAOYSA-N 0 0 411.505 0.545 20 10 HCCDRN CCOC(=O)C1=S=C(NC(=O)c2cccc3ncnn32)C(C(=O)OCC)=C1C ZINC000542474891 1077424854 /nfs/dbraw/zinc/42/48/54/1077424854.db2.gz MTVHUCQGUPTDAC-UHFFFAOYSA-N 0 0 402.432 0.951 20 10 HCCDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000673314457 1080999761 /nfs/dbraw/zinc/99/97/61/1080999761.db2.gz RDEBKWJZBHGBHY-AWEZNQCLSA-N 0 0 406.508 0.643 20 10 HCCDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000673314458 1081000074 /nfs/dbraw/zinc/00/00/74/1081000074.db2.gz RDEBKWJZBHGBHY-CQSZACIVSA-N 0 0 406.508 0.643 20 10 HCCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000673314867 1080999810 /nfs/dbraw/zinc/99/98/10/1080999810.db2.gz WRXCMQCZRVEHTF-IBGZPJMESA-N 0 0 412.490 0.953 20 10 HCCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000673314868 1080999994 /nfs/dbraw/zinc/99/99/94/1080999994.db2.gz WRXCMQCZRVEHTF-LJQANCHMSA-N 0 0 412.490 0.953 20 10 HCCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000673315171 1081000043 /nfs/dbraw/zinc/00/00/43/1081000043.db2.gz VSAQKOGKMOIBEZ-AWEZNQCLSA-N 0 0 406.508 0.643 20 10 HCCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000673315172 1081000008 /nfs/dbraw/zinc/00/00/08/1081000008.db2.gz VSAQKOGKMOIBEZ-CQSZACIVSA-N 0 0 406.508 0.643 20 10 HCCDRN COC(=O)CCCS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000735674499 1079397736 /nfs/dbraw/zinc/39/77/36/1079397736.db2.gz PFQNLDIHCONAND-UHFFFAOYSA-N 0 0 404.510 0.294 20 10 HCCDRN CN(C)C(=O)CCN1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000761636658 1077565150 /nfs/dbraw/zinc/56/51/50/1077565150.db2.gz MOTFENPACSMCLI-UHFFFAOYSA-N 0 0 403.527 0.829 20 10 HCCDRN CN(C)C(=O)CCN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000761639313 1077565110 /nfs/dbraw/zinc/56/51/10/1077565110.db2.gz XWFLNRIERVWZAK-UHFFFAOYSA-N 0 0 421.517 0.968 20 10 HCCDRN CCNC(=O)N1CC[C@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000761649071 1077572723 /nfs/dbraw/zinc/57/27/23/1077572723.db2.gz BXUAOPAGMCXNDE-KRWDZBQOSA-N 0 0 418.542 0.920 20 10 HCCDRN CCNC(=O)N1CC[C@@H](NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000761649074 1077572571 /nfs/dbraw/zinc/57/25/71/1077572571.db2.gz BXUAOPAGMCXNDE-QGZVFWFLSA-N 0 0 418.542 0.920 20 10 HCCDRN CCN(CC)S(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761869797 1077770825 /nfs/dbraw/zinc/77/08/25/1077770825.db2.gz COERWZUPGCHNBL-UHFFFAOYSA-N 0 0 413.456 0.634 20 10 HCCDRN Cn1ncc2c1ncnc2N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761869804 1077770744 /nfs/dbraw/zinc/77/07/44/1077770744.db2.gz CUDZPHRHZOTGEG-UHFFFAOYSA-N 0 0 410.394 0.929 20 10 HCCDRN CN1CCN(C(=O)C2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)CC1 ZINC000761879744 1077772654 /nfs/dbraw/zinc/77/26/54/1077772654.db2.gz ARNYWGVYHRMNNJ-UHFFFAOYSA-N 0 0 403.439 0.916 20 10 HCCDRN O=C(C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1)N1CCCC1 ZINC000761883381 1077773886 /nfs/dbraw/zinc/77/38/86/1077773886.db2.gz CVVAEXFILRVGNK-UHFFFAOYSA-N 0 0 403.395 0.197 20 10 HCCDRN COCCCNC(=O)[C@@H](C)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761892670 1077774360 /nfs/dbraw/zinc/77/43/60/1077774360.db2.gz YSHIOKPGDPUGCU-CYBMUJFWSA-N 0 0 421.454 0.589 20 10 HCCDRN COCCCNC(=O)[C@H](C)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761892671 1077774248 /nfs/dbraw/zinc/77/42/48/1077774248.db2.gz YSHIOKPGDPUGCU-ZDUSSCGKSA-N 0 0 421.454 0.589 20 10 HCCDRN NC(=O)c1cccc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000761893338 1077774210 /nfs/dbraw/zinc/77/42/10/1077774210.db2.gz SRFXCHBVRWAOFF-UHFFFAOYSA-N 0 0 403.464 0.737 20 10 HCCDRN Cn1nc2c(c1NC(=O)C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CCC2 ZINC000761896633 1077775699 /nfs/dbraw/zinc/77/56/99/1077775699.db2.gz VFZAPJDXULXPNQ-HNNXBMFYSA-N 0 0 424.505 0.865 20 10 HCCDRN Cn1nc2c(c1NC(=O)C(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CCC2 ZINC000761896636 1077775375 /nfs/dbraw/zinc/77/53/75/1077775375.db2.gz VFZAPJDXULXPNQ-OAHLLOKOSA-N 0 0 424.505 0.865 20 10 HCCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCN(S(=O)(=O)Cc4ccon4)CC3)cc2N1 ZINC000761908004 1077777866 /nfs/dbraw/zinc/77/78/66/1077777866.db2.gz JMLRRDIMPMFRBI-UHFFFAOYSA-N 0 0 423.407 0.566 20 10 HCCDRN COc1ccc(O)c([C@H](C)NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)c1 ZINC000761974858 1077786812 /nfs/dbraw/zinc/78/68/12/1077786812.db2.gz YROFSZTVUOKAHJ-JTQLQIEISA-N 0 0 421.431 0.834 20 10 HCCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)c1 ZINC000761974862 1077786963 /nfs/dbraw/zinc/78/69/63/1077786963.db2.gz YROFSZTVUOKAHJ-SNVBAGLBSA-N 0 0 421.431 0.834 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)CCS(C)(=O)=O)CC2)cc1 ZINC000762019364 1077805850 /nfs/dbraw/zinc/80/58/50/1077805850.db2.gz SBMJKNYOCNVFFL-INIZCTEOSA-N 0 0 412.556 0.940 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)N[C@H](C)CCS(C)(=O)=O)CC2)cc1 ZINC000762019365 1077805794 /nfs/dbraw/zinc/80/57/94/1077805794.db2.gz SBMJKNYOCNVFFL-MRXNPFEDSA-N 0 0 412.556 0.940 20 10 HCCDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000762260939 1077834449 /nfs/dbraw/zinc/83/44/49/1077834449.db2.gz CNUQLXGSWGYVAK-UHFFFAOYSA-N 0 0 423.491 0.649 20 10 HCCDRN COCCN1C(=O)c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2S1(=O)=O ZINC000762261120 1077833988 /nfs/dbraw/zinc/83/39/88/1077833988.db2.gz HIHUCAXGQFIJDT-UHFFFAOYSA-N 0 0 420.443 0.861 20 10 HCCDRN Cn1nc(Br)c2c1ncn(CC(=O)NCCc1ccc(O)c(O)c1)c2=O ZINC000762262134 1077834067 /nfs/dbraw/zinc/83/40/67/1077834067.db2.gz QALQGIDQZMWXLB-UHFFFAOYSA-N 0 0 422.239 0.663 20 10 HCCDRN CN(CC(=O)NCCc1ccc(O)c(O)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000762262147 1077834096 /nfs/dbraw/zinc/83/40/96/1077834096.db2.gz QXPQPJXGRGAIJE-UHFFFAOYSA-N 0 0 409.420 0.985 20 10 HCCDRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263471 1077834910 /nfs/dbraw/zinc/83/49/10/1077834910.db2.gz IKFMBNGAEGZXSC-LLVKDONJSA-N 0 0 407.448 0.222 20 10 HCCDRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000762263474 1077834986 /nfs/dbraw/zinc/83/49/86/1077834986.db2.gz IKFMBNGAEGZXSC-NSHDSACASA-N 0 0 407.448 0.222 20 10 HCCDRN Cn1c2ccc(NC(=O)CCC(=O)NCCc3ccc(O)c(O)c3)nc2n(C)c1=O ZINC000762264282 1077834970 /nfs/dbraw/zinc/83/49/70/1077834970.db2.gz REWXBMPBZWWXKO-UHFFFAOYSA-N 0 0 413.434 0.761 20 10 HCCDRN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000762269153 1077835246 /nfs/dbraw/zinc/83/52/46/1077835246.db2.gz YUGNTPVLBDDJDP-UHFFFAOYSA-N 0 0 406.460 0.932 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@]3(CCO)CCOC3)CC2)cc1 ZINC000762270876 1077835276 /nfs/dbraw/zinc/83/52/76/1077835276.db2.gz FXCJAEFOXSCVJA-NRFANRHFSA-N 0 0 406.527 0.906 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@@]3(CCO)CCOC3)CC2)cc1 ZINC000762270879 1077835263 /nfs/dbraw/zinc/83/52/63/1077835263.db2.gz FXCJAEFOXSCVJA-OAQYLSRUSA-N 0 0 406.527 0.906 20 10 HCCDRN CN1CCCc2cc(CNC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)ccc21 ZINC000762272401 1077834624 /nfs/dbraw/zinc/83/46/24/1077834624.db2.gz QNFXFSIOEFOUDI-UHFFFAOYSA-N 0 0 415.538 0.755 20 10 HCCDRN CN(C)c1ccc(CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1F ZINC000762273428 1077834807 /nfs/dbraw/zinc/83/48/07/1077834807.db2.gz SVWLCPKFUAMUDK-UHFFFAOYSA-N 0 0 407.490 0.578 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@]3(CCO)CCOC3)cc2)C1 ZINC000762273635 1077834634 /nfs/dbraw/zinc/83/46/34/1077834634.db2.gz XDVCZTHNSKWJJY-DYESRHJHSA-N 0 0 404.511 0.977 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@]3(CCO)CCOC3)cc2)C1 ZINC000762273636 1077834646 /nfs/dbraw/zinc/83/46/46/1077834646.db2.gz XDVCZTHNSKWJJY-LAUBAEHRSA-N 0 0 404.511 0.977 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@]3(CCO)CCOC3)cc2)C1 ZINC000762273637 1077834616 /nfs/dbraw/zinc/83/46/16/1077834616.db2.gz XDVCZTHNSKWJJY-UTKZUKDTSA-N 0 0 404.511 0.977 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@]3(CCO)CCOC3)cc2)C1 ZINC000762273638 1077834642 /nfs/dbraw/zinc/83/46/42/1077834642.db2.gz XDVCZTHNSKWJJY-UWJYYQICSA-N 0 0 404.511 0.977 20 10 HCCDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000762273713 1077834631 /nfs/dbraw/zinc/83/46/31/1077834631.db2.gz BLLQWZGQHVVOBE-UHFFFAOYSA-N 0 0 409.464 0.430 20 10 HCCDRN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCCc1ccc(O)c(O)c1 ZINC000762275465 1077835577 /nfs/dbraw/zinc/83/55/77/1077835577.db2.gz QZEIBIVXVSDOKI-UHFFFAOYSA-N 0 0 422.459 0.896 20 10 HCCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000762294294 1077836482 /nfs/dbraw/zinc/83/64/82/1077836482.db2.gz FDNHLZGYWXVQOH-UHFFFAOYSA-N 0 0 403.527 0.747 20 10 HCCDRN O=C(CN1CCN(C(=O)NCCCSc2nccs2)CC1)N1CCOCC1 ZINC000762324506 1077840711 /nfs/dbraw/zinc/84/07/11/1077840711.db2.gz PWVNTGOHTIIJSL-UHFFFAOYSA-N 0 0 413.569 0.811 20 10 HCCDRN CC(C)NS(=O)(=O)NCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762395320 1077846125 /nfs/dbraw/zinc/84/61/25/1077846125.db2.gz AFTWKUOJRJWEEK-UHFFFAOYSA-N 0 0 404.876 0.642 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 ZINC000762409254 1077847979 /nfs/dbraw/zinc/84/79/79/1077847979.db2.gz NNDVZHIJZZWETM-UHFFFAOYSA-N 0 0 414.466 0.063 20 10 HCCDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000762416776 1077848656 /nfs/dbraw/zinc/84/86/56/1077848656.db2.gz WYLKJQSATVKCJM-UHFFFAOYSA-N 0 0 416.482 0.309 20 10 HCCDRN COc1ncc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(N)=O ZINC000762423318 1077849761 /nfs/dbraw/zinc/84/97/61/1077849761.db2.gz IWAFMCPFQQKNBA-UHFFFAOYSA-N 0 0 413.434 0.281 20 10 HCCDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000762443618 1077851483 /nfs/dbraw/zinc/85/14/83/1077851483.db2.gz NJSYBLRUXBVPNY-UHFFFAOYSA-N 0 0 420.445 0.106 20 10 HCCDRN C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccccc3O)cn2)C[C@H](C)O1 ZINC000762445073 1077850456 /nfs/dbraw/zinc/85/04/56/1077850456.db2.gz YFEWAFRMPLXEAG-KBPBESRZSA-N 0 0 415.450 0.479 20 10 HCCDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccccc3O)cn2)C[C@H](C)O1 ZINC000762445075 1077850484 /nfs/dbraw/zinc/85/04/84/1077850484.db2.gz YFEWAFRMPLXEAG-OKILXGFUSA-N 0 0 415.450 0.479 20 10 HCCDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccccc3O)cn2)C[C@@H](C)O1 ZINC000762445077 1077850460 /nfs/dbraw/zinc/85/04/60/1077850460.db2.gz YFEWAFRMPLXEAG-ZIAGYGMSSA-N 0 0 415.450 0.479 20 10 HCCDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cn1 ZINC000762448328 1077850815 /nfs/dbraw/zinc/85/08/15/1077850815.db2.gz BBJAZXTWMKKEHV-UHFFFAOYSA-N 0 0 416.482 0.275 20 10 HCCDRN CCCn1cc(NC(=O)C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 ZINC000762458649 1077852072 /nfs/dbraw/zinc/85/20/72/1077852072.db2.gz LOUKVQXOQADLDM-UHFFFAOYSA-N 0 0 419.507 0.783 20 10 HCCDRN COC(=O)c1cn([C@@H]2CCCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)nn1 ZINC000762721583 1077889240 /nfs/dbraw/zinc/88/92/40/1077889240.db2.gz DAIINTQALZDSBS-GFCCVEGCSA-N 0 0 423.451 0.619 20 10 HCCDRN COC(=O)c1cn([C@H]2CCCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)nn1 ZINC000762721584 1077889231 /nfs/dbraw/zinc/88/92/31/1077889231.db2.gz DAIINTQALZDSBS-LBPRGKRZSA-N 0 0 423.451 0.619 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)nc3)cc2)C1 ZINC000762742582 1077893697 /nfs/dbraw/zinc/89/36/97/1077893697.db2.gz MPDBJRIWVHGJKO-HNNXBMFYSA-N 0 0 417.491 0.361 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)nc3)cc2)C1 ZINC000762742584 1077893730 /nfs/dbraw/zinc/89/37/30/1077893730.db2.gz MPDBJRIWVHGJKO-OAHLLOKOSA-N 0 0 417.491 0.361 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(S(N)(=O)=O)nc3)CC2)cc1 ZINC000762744315 1077893752 /nfs/dbraw/zinc/89/37/52/1077893752.db2.gz XUICORMTDVFRKL-UHFFFAOYSA-N 0 0 419.507 0.290 20 10 HCCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(S(N)(=O)=O)nc2)cc1 ZINC000762872530 1077906247 /nfs/dbraw/zinc/90/62/47/1077906247.db2.gz ACGNNGJXVYVJTN-UHFFFAOYSA-N 0 0 406.464 0.610 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](NC(N)=O)C3)cc2F)C[C@@H](C)O1 ZINC000762924878 1077914217 /nfs/dbraw/zinc/91/42/17/1077914217.db2.gz HWDVQAJKQRCKQZ-FMKPAKJESA-N 0 0 407.490 0.798 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](NC(N)=O)C3)cc2F)C[C@@H](C)O1 ZINC000762924881 1077914326 /nfs/dbraw/zinc/91/43/26/1077914326.db2.gz HWDVQAJKQRCKQZ-IIAWOOMASA-N 0 0 407.490 0.798 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](NC(N)=O)C3)cc2F)C[C@H](C)O1 ZINC000762924884 1077914153 /nfs/dbraw/zinc/91/41/53/1077914153.db2.gz HWDVQAJKQRCKQZ-IJEWVQPXSA-N 0 0 407.490 0.798 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@H](NC(N)=O)C3)cc2F)C[C@H](C)O1 ZINC000762924888 1077914256 /nfs/dbraw/zinc/91/42/56/1077914256.db2.gz HWDVQAJKQRCKQZ-LZWOXQAQSA-N 0 0 407.490 0.798 20 10 HCCDRN Cc1cc(C(=O)CN2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000762926201 1077914510 /nfs/dbraw/zinc/91/45/10/1077914510.db2.gz RINZOYIQIMYTFZ-AWEZNQCLSA-N 0 0 419.507 0.667 20 10 HCCDRN Cc1cc(C(=O)CN2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000762926210 1077914741 /nfs/dbraw/zinc/91/47/41/1077914741.db2.gz RINZOYIQIMYTFZ-CQSZACIVSA-N 0 0 419.507 0.667 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2n[nH]c(=O)n2c1 ZINC000762954610 1077961845 /nfs/dbraw/zinc/96/18/45/1077961845.db2.gz LLTNUMYJAPBZBW-UHFFFAOYSA-N 0 0 401.448 0.600 20 10 HCCDRN COc1ccc(N2CCN(C(=O)COC(=O)Cn3cc([C@H](C)O)nn3)CC2)cc1 ZINC000762958934 1077966940 /nfs/dbraw/zinc/96/69/40/1077966940.db2.gz GANJBWPUMGPPPK-AWEZNQCLSA-N 0 0 403.439 0.232 20 10 HCCDRN COc1ccc(N2CCN(C(=O)COC(=O)Cn3cc([C@@H](C)O)nn3)CC2)cc1 ZINC000762958936 1077967207 /nfs/dbraw/zinc/96/72/07/1077967207.db2.gz GANJBWPUMGPPPK-CQSZACIVSA-N 0 0 403.439 0.232 20 10 HCCDRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000762965534 1077969063 /nfs/dbraw/zinc/96/90/63/1077969063.db2.gz ZGYHSZQYJIZIPO-CYBMUJFWSA-N 0 0 404.492 0.835 20 10 HCCDRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000762965537 1077969048 /nfs/dbraw/zinc/96/90/48/1077969048.db2.gz ZGYHSZQYJIZIPO-ZDUSSCGKSA-N 0 0 404.492 0.835 20 10 HCCDRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000762977210 1077984595 /nfs/dbraw/zinc/98/45/95/1077984595.db2.gz BJTQQXREPSPVGU-GFCCVEGCSA-N 0 0 422.482 0.974 20 10 HCCDRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000762977211 1077985176 /nfs/dbraw/zinc/98/51/76/1077985176.db2.gz BJTQQXREPSPVGU-LBPRGKRZSA-N 0 0 422.482 0.974 20 10 HCCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000762980424 1077987064 /nfs/dbraw/zinc/98/70/64/1077987064.db2.gz PUQBBACXHPVWLZ-LLVKDONJSA-N 0 0 407.448 0.483 20 10 HCCDRN COc1ccc(O)c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000762980425 1077987390 /nfs/dbraw/zinc/98/73/90/1077987390.db2.gz PUQBBACXHPVWLZ-NSHDSACASA-N 0 0 407.448 0.483 20 10 HCCDRN CN(C)C(=O)NCCN(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000763012683 1077992559 /nfs/dbraw/zinc/99/25/59/1077992559.db2.gz GXYWBGDDMBSUHX-INIZCTEOSA-N 0 0 404.515 0.801 20 10 HCCDRN CN(C)C(=O)NCCN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000763012688 1077992505 /nfs/dbraw/zinc/99/25/05/1077992505.db2.gz GXYWBGDDMBSUHX-MRXNPFEDSA-N 0 0 404.515 0.801 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)N(C)CCNC(=O)N(C)C)CC2)cc1 ZINC000763017376 1077994512 /nfs/dbraw/zinc/99/45/12/1077994512.db2.gz JCIKJQKGZJESGI-UHFFFAOYSA-N 0 0 406.531 0.730 20 10 HCCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4n[nH]c(=O)n4c3)CC2)cc1 ZINC000763096223 1078003761 /nfs/dbraw/zinc/00/37/61/1078003761.db2.gz BWADTBGWKHFNRW-UHFFFAOYSA-N 0 0 411.418 0.949 20 10 HCCDRN CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1=O ZINC000763243915 1078039013 /nfs/dbraw/zinc/03/90/13/1078039013.db2.gz NETOZFDBIPGHTM-UHFFFAOYSA-N 0 0 414.428 0.932 20 10 HCCDRN CCN1CCN(CCc2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)C(=O)C1=O ZINC000763313077 1078050587 /nfs/dbraw/zinc/05/05/87/1078050587.db2.gz TXHLFKOGEAUGIZ-UHFFFAOYSA-N 0 0 423.451 0.047 20 10 HCCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ncn1 ZINC000763382080 1078098246 /nfs/dbraw/zinc/09/82/46/1078098246.db2.gz NHUSWBUKIREVCL-AWEZNQCLSA-N 0 0 412.450 0.442 20 10 HCCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ncn1 ZINC000763382081 1078098330 /nfs/dbraw/zinc/09/83/30/1078098330.db2.gz NHUSWBUKIREVCL-CQSZACIVSA-N 0 0 412.450 0.442 20 10 HCCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ncn1 ZINC000763384131 1078098823 /nfs/dbraw/zinc/09/88/23/1078098823.db2.gz VTFSVPARTAUSTJ-UHFFFAOYSA-N 0 0 403.414 0.840 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(OC)ncn3)CC2)cc1 ZINC000763384528 1078098702 /nfs/dbraw/zinc/09/87/02/1078098702.db2.gz UACPNKBHUNIKFJ-UHFFFAOYSA-N 0 0 414.466 0.371 20 10 HCCDRN COCc1nn(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c(=O)o1 ZINC000763393696 1078099224 /nfs/dbraw/zinc/09/92/24/1078099224.db2.gz XHNLHUWBMBOAJS-UHFFFAOYSA-N 0 0 420.447 0.921 20 10 HCCDRN COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)CC[C@@H]3C)CC2)cc1 ZINC000763849696 1079186182 /nfs/dbraw/zinc/18/61/82/1079186182.db2.gz DRIUYJNDTUFKPA-HKUYNNGSSA-N 0 0 411.568 0.687 20 10 HCCDRN COc1ccc(N2CCN(C[C@@H](O)CN3CCS(=O)(=O)CC[C@H]3C)CC2)cc1 ZINC000763849699 1079185930 /nfs/dbraw/zinc/18/59/30/1079185930.db2.gz DRIUYJNDTUFKPA-IEBWSBKVSA-N 0 0 411.568 0.687 20 10 HCCDRN COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)CC[C@H]3C)CC2)cc1 ZINC000763849701 1079186175 /nfs/dbraw/zinc/18/61/75/1079186175.db2.gz DRIUYJNDTUFKPA-MJGOQNOKSA-N 0 0 411.568 0.687 20 10 HCCDRN COc1ccc(N2CCN(C[C@@H](O)CN3CCS(=O)(=O)CC[C@@H]3C)CC2)cc1 ZINC000763849703 1079186098 /nfs/dbraw/zinc/18/60/98/1079186098.db2.gz DRIUYJNDTUFKPA-PKOBYXMFSA-N 0 0 411.568 0.687 20 10 HCCDRN C[C@H]1CCS(=O)(=O)CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000763853471 1079187350 /nfs/dbraw/zinc/18/73/50/1079187350.db2.gz MPSOJQGSJHMPFW-HNNXBMFYSA-N 0 0 413.515 0.788 20 10 HCCDRN C[C@@H]1CCS(=O)(=O)CCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000763853474 1079187556 /nfs/dbraw/zinc/18/75/56/1079187556.db2.gz MPSOJQGSJHMPFW-OAHLLOKOSA-N 0 0 413.515 0.788 20 10 HCCDRN COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)C[C@@H](C)C3)CC2)cc1 ZINC000763898569 1079210593 /nfs/dbraw/zinc/21/05/93/1079210593.db2.gz DGPLJFQRSYCMBH-HKUYNNGSSA-N 0 0 411.568 0.545 20 10 HCCDRN COc1ccc(N2CCN(C[C@@H](O)CN3CCS(=O)(=O)C[C@H](C)C3)CC2)cc1 ZINC000763898570 1079210600 /nfs/dbraw/zinc/21/06/00/1079210600.db2.gz DGPLJFQRSYCMBH-IEBWSBKVSA-N 0 0 411.568 0.545 20 10 HCCDRN COc1ccc(N2CCN(C[C@H](O)CN3CCS(=O)(=O)C[C@H](C)C3)CC2)cc1 ZINC000763898571 1079210619 /nfs/dbraw/zinc/21/06/19/1079210619.db2.gz DGPLJFQRSYCMBH-MJGOQNOKSA-N 0 0 411.568 0.545 20 10 HCCDRN COc1ccc(N2CCN(C[C@@H](O)CN3CCS(=O)(=O)C[C@@H](C)C3)CC2)cc1 ZINC000763898572 1079210663 /nfs/dbraw/zinc/21/06/63/1079210663.db2.gz DGPLJFQRSYCMBH-PKOBYXMFSA-N 0 0 411.568 0.545 20 10 HCCDRN C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS(=O)(=O)C1 ZINC000763898755 1079210970 /nfs/dbraw/zinc/21/09/70/1079210970.db2.gz KHBZEEVQVOHFGF-HNNXBMFYSA-N 0 0 413.515 0.645 20 10 HCCDRN C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS(=O)(=O)C1 ZINC000763898756 1079210924 /nfs/dbraw/zinc/21/09/24/1079210924.db2.gz KHBZEEVQVOHFGF-OAHLLOKOSA-N 0 0 413.515 0.645 20 10 HCCDRN CS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000763911345 1079213672 /nfs/dbraw/zinc/21/36/72/1079213672.db2.gz JIPHDNGCEHFMIG-INIZCTEOSA-N 0 0 413.515 0.788 20 10 HCCDRN CS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000763911347 1079213576 /nfs/dbraw/zinc/21/35/76/1079213576.db2.gz JIPHDNGCEHFMIG-MRXNPFEDSA-N 0 0 413.515 0.788 20 10 HCCDRN COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000763916410 1079216644 /nfs/dbraw/zinc/21/66/44/1079216644.db2.gz OZKHYTNYFCJXLU-AZUAARDMSA-N 0 0 411.568 0.687 20 10 HCCDRN COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000763916412 1079216740 /nfs/dbraw/zinc/21/67/40/1079216740.db2.gz OZKHYTNYFCJXLU-ICSRJNTNSA-N 0 0 411.568 0.687 20 10 HCCDRN COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000763916414 1079216576 /nfs/dbraw/zinc/21/65/76/1079216576.db2.gz OZKHYTNYFCJXLU-QUCCMNQESA-N 0 0 411.568 0.687 20 10 HCCDRN COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000763916416 1079216842 /nfs/dbraw/zinc/21/68/42/1079216842.db2.gz OZKHYTNYFCJXLU-UYAOXDASSA-N 0 0 411.568 0.687 20 10 HCCDRN NC(=O)c1cnn2c1nccc2C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000763927203 1079218215 /nfs/dbraw/zinc/21/82/15/1079218215.db2.gz JDRSDEDZCXOEBA-UHFFFAOYSA-N 0 0 408.462 0.967 20 10 HCCDRN NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000763928949 1079219431 /nfs/dbraw/zinc/21/94/31/1079219431.db2.gz XSSFUOXSLHXPDJ-UHFFFAOYSA-N 0 0 404.492 0.868 20 10 HCCDRN NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000763937913 1079219498 /nfs/dbraw/zinc/21/94/98/1079219498.db2.gz LMNCSZMUYOHRBG-UHFFFAOYSA-N 0 0 408.455 0.759 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(c3cc(OC)ncn3)CC1)cc2=O ZINC000763939676 1079220890 /nfs/dbraw/zinc/22/08/90/1079220890.db2.gz BOPUGJFLVHBXQR-UHFFFAOYSA-N 0 0 413.438 0.732 20 10 HCCDRN NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)co1 ZINC000763944528 1079219800 /nfs/dbraw/zinc/21/98/00/1079219800.db2.gz IJUNFTLZWJYGID-UHFFFAOYSA-N 0 0 413.477 0.092 20 10 HCCDRN NC(=O)c1cnn2c1nccc2C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000763963995 1079235087 /nfs/dbraw/zinc/23/50/87/1079235087.db2.gz NHOVHZQBSYQNBF-AWEZNQCLSA-N 0 0 421.461 0.460 20 10 HCCDRN NC(=O)c1cnn2c1nccc2C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000763963996 1079234931 /nfs/dbraw/zinc/23/49/31/1079234931.db2.gz NHOVHZQBSYQNBF-CQSZACIVSA-N 0 0 421.461 0.460 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)c3ccnc4c(C(N)=O)cnn43)CC2)cc1 ZINC000764237302 1079321699 /nfs/dbraw/zinc/32/16/99/1079321699.db2.gz OVYXEPJIXBQKIB-UHFFFAOYSA-N 0 0 423.477 0.389 20 10 HCCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 ZINC000764244859 1079321346 /nfs/dbraw/zinc/32/13/46/1079321346.db2.gz GMULXUZFQJOJDT-DOTOQJQBSA-N 0 0 422.551 0.964 20 10 HCCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 ZINC000764244865 1079321008 /nfs/dbraw/zinc/32/10/08/1079321008.db2.gz GMULXUZFQJOJDT-NVXWUHKLSA-N 0 0 422.551 0.964 20 10 HCCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 ZINC000764244869 1079321452 /nfs/dbraw/zinc/32/14/52/1079321452.db2.gz GMULXUZFQJOJDT-RDJZCZTQSA-N 0 0 422.551 0.964 20 10 HCCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCS(=O)(=O)C1 ZINC000764244874 1079321408 /nfs/dbraw/zinc/32/14/08/1079321408.db2.gz GMULXUZFQJOJDT-WBVHZDCISA-N 0 0 422.551 0.964 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCS(=O)(=O)C[C@@H](C)C3)CC2)cc1 ZINC000764307686 1079329914 /nfs/dbraw/zinc/32/99/14/1079329914.db2.gz PKHZKCWKZWZBMT-KRWDZBQOSA-N 0 0 424.567 0.893 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)N3CCS(=O)(=O)C[C@H](C)C3)CC2)cc1 ZINC000764307687 1079330330 /nfs/dbraw/zinc/33/03/30/1079330330.db2.gz PKHZKCWKZWZBMT-QGZVFWFLSA-N 0 0 424.567 0.893 20 10 HCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CCO)CCN1CCOCC1 ZINC000764346423 1079333797 /nfs/dbraw/zinc/33/37/97/1079333797.db2.gz HSTWZRVNQWQEKW-UHFFFAOYSA-N 0 0 410.490 0.498 20 10 HCCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(CCO)CCN1CCOCC1 ZINC000764347547 1079333805 /nfs/dbraw/zinc/33/38/05/1079333805.db2.gz QWCOLNDFRKQVHC-UHFFFAOYSA-N 0 0 424.517 0.623 20 10 HCCDRN C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000764363049 1079335145 /nfs/dbraw/zinc/33/51/45/1079335145.db2.gz OMORWGVJRIEFDD-GOSISDBHSA-N 0 0 406.527 0.920 20 10 HCCDRN C[C@H](NC(=O)N(CCO)CCN1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000764363053 1079335071 /nfs/dbraw/zinc/33/50/71/1079335071.db2.gz OMORWGVJRIEFDD-SFHVURJKSA-N 0 0 406.527 0.920 20 10 HCCDRN O=C(CN1CCN2C(=O)OCC[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000764437132 1079340881 /nfs/dbraw/zinc/34/08/81/1079340881.db2.gz JNKPPEKMNDMONW-INIZCTEOSA-N 0 0 406.458 0.805 20 10 HCCDRN O=C(CN1CCN2C(=O)OCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000764437136 1079340778 /nfs/dbraw/zinc/34/07/78/1079340778.db2.gz JNKPPEKMNDMONW-MRXNPFEDSA-N 0 0 406.458 0.805 20 10 HCCDRN COc1cc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)ncn1 ZINC000764450259 1079343744 /nfs/dbraw/zinc/34/37/44/1079343744.db2.gz FHOGAIABXOJWCT-UHFFFAOYSA-N 0 0 407.452 0.525 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@@]3(OC)CCOC3)CC2)cc1 ZINC000764453689 1079345127 /nfs/dbraw/zinc/34/51/27/1079345127.db2.gz JOLUBQFCSCFBHV-CQQBXOTJSA-N 0 0 403.479 0.822 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@]3(OC)CCOC3)CC2)cc1 ZINC000764453692 1079345151 /nfs/dbraw/zinc/34/51/51/1079345151.db2.gz JOLUBQFCSCFBHV-GIWCCYDRSA-N 0 0 403.479 0.822 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@@]3(OC)CCOC3)CC2)cc1 ZINC000764453695 1079345184 /nfs/dbraw/zinc/34/51/84/1079345184.db2.gz JOLUBQFCSCFBHV-NJRZHNRPSA-N 0 0 403.479 0.822 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@]3(OC)CCOC3)CC2)cc1 ZINC000764453698 1079345162 /nfs/dbraw/zinc/34/51/62/1079345162.db2.gz JOLUBQFCSCFBHV-QQUYBBDPSA-N 0 0 403.479 0.822 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CC(=O)NCC(F)(F)F)cc2=O ZINC000764577175 1079354781 /nfs/dbraw/zinc/35/47/81/1079354781.db2.gz QVTPQFZORWCCIW-UHFFFAOYSA-N 0 0 404.301 0.723 20 10 HCCDRN O=C(NCCS(=O)(=O)N1CCOCC1)NCc1cccc(Br)c1O ZINC000764768292 1079370147 /nfs/dbraw/zinc/37/01/47/1079370147.db2.gz HOGBCJMLWKNUKX-UHFFFAOYSA-N 0 0 422.301 0.616 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)NCC3(N4CCOCC4)CC3)CC2)cc1 ZINC000764769691 1079372415 /nfs/dbraw/zinc/37/24/15/1079372415.db2.gz WGOIQDWBXIPUAC-UHFFFAOYSA-N 0 0 417.554 0.981 20 10 HCCDRN Cc1nn(C)c(=O)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1C ZINC000764861252 1079378016 /nfs/dbraw/zinc/37/80/16/1079378016.db2.gz CONZAUWHEDDNQS-UHFFFAOYSA-N 0 0 404.492 0.562 20 10 HCCDRN O=C(CNC(=O)c1cccnc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000764941545 1079382098 /nfs/dbraw/zinc/38/20/98/1079382098.db2.gz ZOVPYZUYWTWNRO-UHFFFAOYSA-N 0 0 402.476 0.363 20 10 HCCDRN NC(=O)CCNC(=O)c1ccc(F)c(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000765080463 1079389320 /nfs/dbraw/zinc/38/93/20/1079389320.db2.gz PPZYIWDQUXNWIT-UHFFFAOYSA-N 0 0 407.383 0.768 20 10 HCCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc2nonc21 ZINC000765179517 1079395605 /nfs/dbraw/zinc/39/56/05/1079395605.db2.gz BMRQSNPPUITKCE-UHFFFAOYSA-N 0 0 422.488 0.936 20 10 HCCDRN CN(C)c1nc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(=O)[nH]1 ZINC000765230027 1079402017 /nfs/dbraw/zinc/40/20/17/1079402017.db2.gz YGOAUSSWEJWJGY-UHFFFAOYSA-N 0 0 405.480 0.413 20 10 HCCDRN CN1CN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1=O ZINC000765231364 1079402714 /nfs/dbraw/zinc/40/27/14/1079402714.db2.gz WKTOCVLXACMCRL-UHFFFAOYSA-N 0 0 413.457 0.883 20 10 HCCDRN CS(=O)(=O)Cc1noc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000765247061 1079404025 /nfs/dbraw/zinc/40/40/25/1079404025.db2.gz LTPJULXAJKXSRD-UHFFFAOYSA-N 0 0 413.431 0.912 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)c3cc(=O)[nH]c(N(C)C)n3)CC2)cc1 ZINC000765257849 1079408570 /nfs/dbraw/zinc/40/85/70/1079408570.db2.gz LTYYLTDEGPGZCF-UHFFFAOYSA-N 0 0 400.483 0.809 20 10 HCCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(S(N)(=O)=O)c1 ZINC000765419164 1079433257 /nfs/dbraw/zinc/43/32/57/1079433257.db2.gz AJGYGVJAFGIIJO-JTQLQIEISA-N 0 0 413.477 0.902 20 10 HCCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(S(N)(=O)=O)c1 ZINC000765419165 1079432987 /nfs/dbraw/zinc/43/29/87/1079432987.db2.gz AJGYGVJAFGIIJO-SNVBAGLBSA-N 0 0 413.477 0.902 20 10 HCCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000765482194 1079446251 /nfs/dbraw/zinc/44/62/51/1079446251.db2.gz QYOIKIDYVHCIJR-AWEZNQCLSA-N 0 0 418.899 0.666 20 10 HCCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000765482197 1079446182 /nfs/dbraw/zinc/44/61/82/1079446182.db2.gz QYOIKIDYVHCIJR-CQSZACIVSA-N 0 0 418.899 0.666 20 10 HCCDRN CC(C)NS(=O)(=O)NCCNC(=O)NCc1cccc(Br)c1O ZINC000765566235 1079486734 /nfs/dbraw/zinc/48/67/34/1079486734.db2.gz XCTMNLGJYGTASW-UHFFFAOYSA-N 0 0 409.306 0.786 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3(CCO)CCOCC3)CC2)cc1 ZINC000765653111 1079544415 /nfs/dbraw/zinc/54/44/15/1079544415.db2.gz XXJDJHMMJNLYEK-SREVYHEPSA-N 0 0 417.506 0.948 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3(CCO)CCOCC3)CC2)cc1 ZINC000765653112 1079544161 /nfs/dbraw/zinc/54/41/61/1079544161.db2.gz XXJDJHMMJNLYEK-VOTSOKGWSA-N 0 0 417.506 0.948 20 10 HCCDRN COC(=O)CCN(CC(OC)OC)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000765661799 1079545915 /nfs/dbraw/zinc/54/59/15/1079545915.db2.gz HPNJBJCTSHAQAW-UHFFFAOYSA-N 0 0 404.441 0.388 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000765714878 1079559918 /nfs/dbraw/zinc/55/99/18/1079559918.db2.gz IRRRDFUJPPAYML-GOSISDBHSA-N 0 0 410.540 0.694 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000765714880 1079560226 /nfs/dbraw/zinc/56/02/26/1079560226.db2.gz IRRRDFUJPPAYML-SFHVURJKSA-N 0 0 410.540 0.694 20 10 HCCDRN COc1ccc(N2CCN(CCNC(=O)NCCS(=O)(=O)CC3CC3)CC2)cc1 ZINC000765716539 1079561378 /nfs/dbraw/zinc/56/13/78/1079561378.db2.gz NUMMIPTVZRVPBJ-UHFFFAOYSA-N 0 0 424.567 0.941 20 10 HCCDRN Cn1cnc(S(=O)(=O)NCC(=O)NCc2cccc(Br)c2O)c1 ZINC000765726028 1079565901 /nfs/dbraw/zinc/56/59/01/1079565901.db2.gz CRGHGYNZXYAYFT-UHFFFAOYSA-N 0 0 403.258 0.483 20 10 HCCDRN Cn1c(C(=O)NCc2cccc(Br)c2O)cc2c1n(C)c(=O)n(C)c2=O ZINC000765727935 1079566874 /nfs/dbraw/zinc/56/68/74/1079566874.db2.gz RILCQGMSOFQICS-UHFFFAOYSA-N 0 0 421.251 0.974 20 10 HCCDRN Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(Br)c1O)c(=O)n2C ZINC000765736621 1079578834 /nfs/dbraw/zinc/57/88/34/1079578834.db2.gz PRUPRSOABYQZEZ-UHFFFAOYSA-N 0 0 422.239 0.218 20 10 HCCDRN CS(=O)(=O)N1CCN(CC(=O)NCc2cccc(Br)c2O)CC1 ZINC000765752610 1079587447 /nfs/dbraw/zinc/58/74/47/1079587447.db2.gz XXZMUQVYPNJSAM-UHFFFAOYSA-N 0 0 406.302 0.348 20 10 HCCDRN NS(=O)(=O)c1cnn(CCC(=O)NCc2cccc(Br)c2O)c1 ZINC000765764536 1079833851 /nfs/dbraw/zinc/83/38/51/1079833851.db2.gz LUVUBVHHUBURPQ-UHFFFAOYSA-N 0 0 403.258 0.705 20 10 HCCDRN Cn1cc(S(=O)(=O)NCC(=O)NCc2cccc(Br)c2O)cn1 ZINC000765766144 1079881695 /nfs/dbraw/zinc/88/16/95/1079881695.db2.gz VKFCOYDZFGGWOE-UHFFFAOYSA-N 0 0 403.258 0.483 20 10 HCCDRN Cc1nc(S(=O)(=O)NCC(=O)NCc2cccc(Br)c2O)cn1C ZINC000765766463 1079863385 /nfs/dbraw/zinc/86/33/85/1079863385.db2.gz WTCADGXLDQPBCG-UHFFFAOYSA-N 0 0 417.285 0.791 20 10 HCCDRN Cn1c2ncn(CC(=O)NCc3cccc(Br)c3O)c2c(=O)n(C)c1=O ZINC000765767437 1079888550 /nfs/dbraw/zinc/88/85/50/1079888550.db2.gz ZRUOYURHRILQES-UHFFFAOYSA-N 0 0 422.239 0.218 20 10 HCCDRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cccc(Br)c1O ZINC000765769654 1079946030 /nfs/dbraw/zinc/94/60/30/1079946030.db2.gz MYIDQKHXMVLLJN-SECBINFHSA-N 0 0 417.285 0.871 20 10 HCCDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cccc(Br)c1O ZINC000765770234 1079960851 /nfs/dbraw/zinc/96/08/51/1079960851.db2.gz MYIDQKHXMVLLJN-VIFPVBQESA-N 0 0 417.285 0.871 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCCS3(=O)=O)cc2)C1 ZINC000765900544 1080323547 /nfs/dbraw/zinc/32/35/47/1080323547.db2.gz QZUUKWMFYDZXCM-DOTOQJQBSA-N 0 0 408.524 0.765 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@H]3CCCS3(=O)=O)cc2)C1 ZINC000765900571 1080323625 /nfs/dbraw/zinc/32/36/25/1080323625.db2.gz QZUUKWMFYDZXCM-NVXWUHKLSA-N 0 0 408.524 0.765 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCCS3(=O)=O)cc2)C1 ZINC000765900574 1080324056 /nfs/dbraw/zinc/32/40/56/1080324056.db2.gz QZUUKWMFYDZXCM-RDJZCZTQSA-N 0 0 408.524 0.765 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC[C@@H]3CCCS3(=O)=O)cc2)C1 ZINC000765900577 1080324126 /nfs/dbraw/zinc/32/41/26/1080324126.db2.gz QZUUKWMFYDZXCM-WBVHZDCISA-N 0 0 408.524 0.765 20 10 HCCDRN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)cn1 ZINC000765902746 1080330223 /nfs/dbraw/zinc/33/02/23/1080330223.db2.gz CQLCTSDEEGSKIL-UHFFFAOYSA-N 0 0 424.255 0.694 20 10 HCCDRN COc1ncc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1C(N)=O ZINC000765904173 1080335246 /nfs/dbraw/zinc/33/52/46/1080335246.db2.gz PKQBYUNCQUDXEH-UHFFFAOYSA-N 0 0 423.223 0.912 20 10 HCCDRN CNC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(Br)c2O)cn1 ZINC000765904195 1080335398 /nfs/dbraw/zinc/33/53/98/1080335398.db2.gz PQLKOQHSWCKKBY-UHFFFAOYSA-N 0 0 410.228 0.352 20 10 HCCDRN CNC(=O)Cn1nc(NC(=O)C(=O)NCc2cccc(Br)c2O)cc1C ZINC000765925019 1080396542 /nfs/dbraw/zinc/39/65/42/1080396542.db2.gz CTSUIKWJXYXRBO-UHFFFAOYSA-N 0 0 424.255 0.661 20 10 HCCDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2cccc(Br)c2O)n1 ZINC000765931624 1080402961 /nfs/dbraw/zinc/40/29/61/1080402961.db2.gz PGIFKPFRZMUFEP-UHFFFAOYSA-N 0 0 424.255 0.694 20 10 HCCDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785421238 1078285839 /nfs/dbraw/zinc/28/58/39/1078285839.db2.gz CXQWXUKWVLVGOH-HNNXBMFYSA-N 0 0 401.511 0.180 20 10 HCCDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785421239 1078286135 /nfs/dbraw/zinc/28/61/35/1078286135.db2.gz CXQWXUKWVLVGOH-OAHLLOKOSA-N 0 0 401.511 0.180 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 ZINC000785422921 1079116398 /nfs/dbraw/zinc/11/63/98/1079116398.db2.gz PRIBCKHTACFOEV-FQEVSTJZSA-N 0 0 406.552 0.693 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 ZINC000785422922 1079116294 /nfs/dbraw/zinc/11/62/94/1079116294.db2.gz PRIBCKHTACFOEV-HXUWFJFHSA-N 0 0 406.552 0.693 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 ZINC000785423293 1079210652 /nfs/dbraw/zinc/21/06/52/1079210652.db2.gz VQOLYXKVIBVKKD-UHFFFAOYSA-N 0 0 400.483 0.270 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000785423647 1079206857 /nfs/dbraw/zinc/20/68/57/1079206857.db2.gz FEPULIHURVBGSG-KRWDZBQOSA-N 0 0 408.524 0.395 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000785423648 1079227252 /nfs/dbraw/zinc/22/72/52/1079227252.db2.gz FEPULIHURVBGSG-QGZVFWFLSA-N 0 0 408.524 0.395 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 ZINC000785424418 1079302319 /nfs/dbraw/zinc/30/23/19/1079302319.db2.gz PEXRTAZEPXGAKW-UHFFFAOYSA-N 0 0 410.478 0.212 20 10 HCCDRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785424892 1079299262 /nfs/dbraw/zinc/29/92/62/1079299262.db2.gz WLAIPMSLGJUUPF-DOTOQJQBSA-N 0 0 404.511 0.759 20 10 HCCDRN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785424894 1079299048 /nfs/dbraw/zinc/29/90/48/1079299048.db2.gz WLAIPMSLGJUUPF-NVXWUHKLSA-N 0 0 404.511 0.759 20 10 HCCDRN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785424897 1079299143 /nfs/dbraw/zinc/29/91/43/1079299143.db2.gz WLAIPMSLGJUUPF-RDJZCZTQSA-N 0 0 404.511 0.759 20 10 HCCDRN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785424899 1079299062 /nfs/dbraw/zinc/29/90/62/1079299062.db2.gz WLAIPMSLGJUUPF-WBVHZDCISA-N 0 0 404.511 0.759 20 10 HCCDRN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785425316 1079311064 /nfs/dbraw/zinc/31/10/64/1079311064.db2.gz NPONAVXDWGRECE-UHFFFAOYSA-N 0 0 403.527 0.381 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000785425390 1079310316 /nfs/dbraw/zinc/31/03/16/1079310316.db2.gz PBPWXXWRSOSPHW-UHFFFAOYSA-N 0 0 419.503 0.968 20 10 HCCDRN CCCNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785427204 1079311800 /nfs/dbraw/zinc/31/18/00/1079311800.db2.gz AHCNBVBUMLWAFS-UHFFFAOYSA-N 0 0 403.527 0.476 20 10 HCCDRN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785427251 1079325971 /nfs/dbraw/zinc/32/59/71/1079325971.db2.gz BNXCFBSMSIFGSU-INIZCTEOSA-N 0 0 403.527 0.428 20 10 HCCDRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785427252 1079325890 /nfs/dbraw/zinc/32/58/90/1079325890.db2.gz BNXCFBSMSIFGSU-MRXNPFEDSA-N 0 0 403.527 0.428 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 ZINC000785427618 1079320748 /nfs/dbraw/zinc/32/07/48/1079320748.db2.gz DZXHAUXCZWOSMG-UHFFFAOYSA-N 0 0 404.492 0.464 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000785427977 1079320346 /nfs/dbraw/zinc/32/03/46/1079320346.db2.gz IGBHCGKYZNFTHY-UHFFFAOYSA-N 0 0 415.538 0.526 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000785428452 1079335084 /nfs/dbraw/zinc/33/50/84/1079335084.db2.gz MOITXPYDVLZMPW-KRWDZBQOSA-N 0 0 410.540 0.689 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000785428453 1079334984 /nfs/dbraw/zinc/33/49/84/1079334984.db2.gz MOITXPYDVLZMPW-QGZVFWFLSA-N 0 0 410.540 0.689 20 10 HCCDRN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000785428649 1079332805 /nfs/dbraw/zinc/33/28/05/1079332805.db2.gz QGNXUDCUPRLGRY-UHFFFAOYSA-N 0 0 418.519 0.734 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 ZINC000785428652 1079332864 /nfs/dbraw/zinc/33/28/64/1079332864.db2.gz QKSDOCNLVNFTHG-KRWDZBQOSA-N 0 0 412.494 0.410 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 ZINC000785428653 1079332734 /nfs/dbraw/zinc/33/27/34/1079332734.db2.gz QKSDOCNLVNFTHG-QGZVFWFLSA-N 0 0 412.494 0.410 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000785428851 1079332383 /nfs/dbraw/zinc/33/23/83/1079332383.db2.gz TXFAINKBUDFSQQ-UHFFFAOYSA-N 0 0 422.493 0.394 20 10 HCCDRN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785432641 1079423567 /nfs/dbraw/zinc/42/35/67/1079423567.db2.gz GJPIEYFLKWKZDU-UHFFFAOYSA-N 0 0 417.554 0.772 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)cc1 ZINC000785432787 1079417960 /nfs/dbraw/zinc/41/79/60/1079417960.db2.gz ILUDTXGAOWLGHN-UHFFFAOYSA-N 0 0 400.454 0.983 20 10 HCCDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785432821 1079418581 /nfs/dbraw/zinc/41/85/81/1079418581.db2.gz JADLRWFPROUWQH-KRWDZBQOSA-N 0 0 415.538 0.524 20 10 HCCDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785432823 1079418342 /nfs/dbraw/zinc/41/83/42/1079418342.db2.gz JADLRWFPROUWQH-QGZVFWFLSA-N 0 0 415.538 0.524 20 10 HCCDRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000785433227 1079406197 /nfs/dbraw/zinc/40/61/97/1079406197.db2.gz KLMOTRBLSCDDNN-UHFFFAOYSA-N 0 0 424.548 0.833 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000785433241 1079448887 /nfs/dbraw/zinc/44/88/87/1079448887.db2.gz KUYKUABCTAFAFK-INIZCTEOSA-N 0 0 409.490 0.863 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000785433242 1079449131 /nfs/dbraw/zinc/44/91/31/1079449131.db2.gz KUYKUABCTAFAFK-MRXNPFEDSA-N 0 0 409.490 0.863 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000785434406 1079475859 /nfs/dbraw/zinc/47/58/59/1079475859.db2.gz TVEFVQKGZBRVOW-FQEVSTJZSA-N 0 0 401.467 0.206 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000785434408 1079475716 /nfs/dbraw/zinc/47/57/16/1079475716.db2.gz TVEFVQKGZBRVOW-HXUWFJFHSA-N 0 0 401.467 0.206 20 10 HCCDRN CN(C)S(=O)(=O)c1ccc(N(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 ZINC000785436777 1079550032 /nfs/dbraw/zinc/55/00/32/1079550032.db2.gz UUTNJUBHBFVDNR-UHFFFAOYSA-N 0 0 424.504 0.397 20 10 HCCDRN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCN1c1nccn2cnnc12 ZINC000785438329 1079565115 /nfs/dbraw/zinc/56/51/15/1079565115.db2.gz CJUGRGGNOPJLNN-HNNXBMFYSA-N 0 0 422.493 0.544 20 10 HCCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCN1c1nccn2cnnc12 ZINC000785438330 1079565153 /nfs/dbraw/zinc/56/51/53/1079565153.db2.gz CJUGRGGNOPJLNN-OAHLLOKOSA-N 0 0 422.493 0.544 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC000785438659 1079565216 /nfs/dbraw/zinc/56/52/16/1079565216.db2.gz DLAQKWSYQXANTH-UHFFFAOYSA-N 0 0 415.538 0.381 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000785438999 1079560101 /nfs/dbraw/zinc/56/01/01/1079560101.db2.gz JOKSIMXEAFNNBN-UHFFFAOYSA-N 0 0 418.519 0.936 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000785439416 1079694124 /nfs/dbraw/zinc/69/41/24/1079694124.db2.gz ONTHKZJASNDRDG-UHFFFAOYSA-N 0 0 423.517 0.834 20 10 HCCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 ZINC000785439462 1079764254 /nfs/dbraw/zinc/76/42/54/1079764254.db2.gz PVXWLJIEKUAIEB-UHFFFAOYSA-N 0 0 410.478 0.212 20 10 HCCDRN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000785439781 1079586347 /nfs/dbraw/zinc/58/63/47/1079586347.db2.gz VSLFKBMMJXVOCG-UHFFFAOYSA-N 0 0 404.492 0.593 20 10 HCCDRN COCc1noc(CN2CCN(C(=O)C(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000785440522 1080021244 /nfs/dbraw/zinc/02/12/44/1080021244.db2.gz AEJXAAHRMJKAJM-UHFFFAOYSA-N 0 0 416.482 0.243 20 10 HCCDRN CCOC1CC(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)(N2CCOCC2)C1 ZINC000785441798 1080039492 /nfs/dbraw/zinc/03/94/92/1080039492.db2.gz HAXDWLQRTGELMC-UHFFFAOYSA-N 0 0 418.538 0.755 20 10 HCCDRN COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cc1 ZINC000914126169 1077326097 /nfs/dbraw/zinc/32/60/97/1077326097.db2.gz TUJGJODVAVCMEW-UHFFFAOYSA-N 0 0 409.446 0.603 20 10 HCCDRN O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCNC(=O)C1 ZINC000914431984 1077554125 /nfs/dbraw/zinc/55/41/25/1077554125.db2.gz PYOVYRVHVVGCLU-UHFFFAOYSA-N 0 0 420.403 0.673 20 10 HCCDRN CN(C)c1ccc(CN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C2CC2)cc1 ZINC000914437310 1077600138 /nfs/dbraw/zinc/60/01/38/1077600138.db2.gz HHOZNWBCJGXWEK-UHFFFAOYSA-N 0 0 410.478 0.691 20 10 HCCDRN CN(C)c1ccc(CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C2CC2)cc1 ZINC000914438790 1077599988 /nfs/dbraw/zinc/59/99/88/1077599988.db2.gz SLLNDEJVHXSVHP-UHFFFAOYSA-N 0 0 410.478 0.691 20 10 HCCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000914458752 1077611342 /nfs/dbraw/zinc/61/13/42/1077611342.db2.gz LYMHYVDSIYJJAK-DOTOQJQBSA-N 0 0 421.519 0.379 20 10 HCCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000914458753 1077611111 /nfs/dbraw/zinc/61/11/11/1077611111.db2.gz LYMHYVDSIYJJAK-NVXWUHKLSA-N 0 0 421.519 0.379 20 10 HCCDRN COc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000914458754 1077611098 /nfs/dbraw/zinc/61/10/98/1077611098.db2.gz LYMHYVDSIYJJAK-RDJZCZTQSA-N 0 0 421.519 0.379 20 10 HCCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 ZINC000914458755 1077611370 /nfs/dbraw/zinc/61/13/70/1077611370.db2.gz LYMHYVDSIYJJAK-WBVHZDCISA-N 0 0 421.519 0.379 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3nnnn3C3CC3)CC2)cc1 ZINC000914467067 1077617016 /nfs/dbraw/zinc/61/70/16/1077617016.db2.gz IIEBFLDGZXLVOZ-UHFFFAOYSA-N 0 0 420.495 0.280 20 10 HCCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000914506106 1077644569 /nfs/dbraw/zinc/64/45/69/1077644569.db2.gz XBLCQCPPJXYVMH-UHFFFAOYSA-N 0 0 412.494 0.937 20 10 HCCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000914507041 1077644105 /nfs/dbraw/zinc/64/41/05/1077644105.db2.gz YHIKOSXLHKOSJG-UHFFFAOYSA-N 0 0 412.494 0.937 20 10 HCCDRN COc1ccc(N2CCN(C(=O)C[S@](=O)Cc3nnnn3C3CC3)CC2)cc1 ZINC000914524145 1077651155 /nfs/dbraw/zinc/65/11/55/1077651155.db2.gz ZDOISIXJTOVDEU-MUUNZHRXSA-N 0 0 404.496 0.614 20 10 HCCDRN COc1ccc(N2CCN(C(=O)C[S@@](=O)Cc3nnnn3C3CC3)CC2)cc1 ZINC000914524146 1077651121 /nfs/dbraw/zinc/65/11/21/1077651121.db2.gz ZDOISIXJTOVDEU-NDEPHWFRSA-N 0 0 404.496 0.614 20 10 HCCDRN COCCN1C[C@@H](C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000914588420 1077685915 /nfs/dbraw/zinc/68/59/15/1077685915.db2.gz APTZABQOBGMCIR-INIZCTEOSA-N 0 0 419.478 0.382 20 10 HCCDRN COCCN1C[C@H](C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000914588421 1077685732 /nfs/dbraw/zinc/68/57/32/1077685732.db2.gz APTZABQOBGMCIR-MRXNPFEDSA-N 0 0 419.478 0.382 20 10 HCCDRN CN(C)c1ccc(CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000914603602 1077689780 /nfs/dbraw/zinc/68/97/80/1077689780.db2.gz REYLDVJQPUGQDD-UHFFFAOYSA-N 0 0 404.448 0.624 20 10 HCCDRN Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)n1-c1ccccn1 ZINC000914613272 1077697245 /nfs/dbraw/zinc/69/72/45/1077697245.db2.gz NAGXCELULSQORY-UHFFFAOYSA-N 0 0 411.418 0.508 20 10 HCCDRN COc1cc[nH]c(=NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000914704446 1077740246 /nfs/dbraw/zinc/74/02/46/1077740246.db2.gz LXSRTYZYXASJBF-UHFFFAOYSA-N 0 0 424.508 0.820 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CN3CCCC[C@@H]3CNS(C)(=O)=O)CC2)cc1 ZINC000914789216 1077757073 /nfs/dbraw/zinc/75/70/73/1077757073.db2.gz RIPPWQKSCBIVAH-GOSISDBHSA-N 0 0 424.567 0.748 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CN3CCCC[C@H]3CNS(C)(=O)=O)CC2)cc1 ZINC000914789217 1077757230 /nfs/dbraw/zinc/75/72/30/1077757230.db2.gz RIPPWQKSCBIVAH-SFHVURJKSA-N 0 0 424.567 0.748 20 10 HCCDRN CN1C(=O)C(=CNNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C(=O)N(C)C1=O ZINC000914866831 1077786971 /nfs/dbraw/zinc/78/69/71/1077786971.db2.gz AVXCWVIEIRHVJK-UHFFFAOYSA-N 0 0 410.456 0.009 20 10 HCCDRN CN1C(=O)C(=CNNc2ccc(S(=O)(=O)NC3CCCC3)cn2)C(=O)N(C)C1=O ZINC000914868215 1077786906 /nfs/dbraw/zinc/78/69/06/1077786906.db2.gz MVWHMDDRNUXQPE-UHFFFAOYSA-N 0 0 422.467 0.153 20 10 HCCDRN COc1ccc(N(CC(=O)N2CCO[C@H](C)C2)CC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000914868908 1077787325 /nfs/dbraw/zinc/78/73/25/1077787325.db2.gz RPSUBNABIYVGGM-CALCHBBNSA-N 0 0 405.495 0.996 20 10 HCCDRN COc1ccc(N(CC(=O)N2CCO[C@H](C)C2)CC(=O)N2CCO[C@H](C)C2)cc1 ZINC000914868909 1077787472 /nfs/dbraw/zinc/78/74/72/1077787472.db2.gz RPSUBNABIYVGGM-IAGOWNOFSA-N 0 0 405.495 0.996 20 10 HCCDRN COc1ccc(N(CC(=O)N2CCO[C@@H](C)C2)CC(=O)N2CCO[C@@H](C)C2)cc1 ZINC000914868910 1077787461 /nfs/dbraw/zinc/78/74/61/1077787461.db2.gz RPSUBNABIYVGGM-IRXDYDNUSA-N 0 0 405.495 0.996 20 10 HCCDRN CC(=O)N(C)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000914922628 1077805088 /nfs/dbraw/zinc/80/50/88/1077805088.db2.gz WUHWJSNYOFWAEY-UHFFFAOYSA-N 0 0 421.475 0.946 20 10 HCCDRN CN(C)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000915054169 1077823180 /nfs/dbraw/zinc/82/31/80/1077823180.db2.gz NCTFDOSBMAGUAD-UHFFFAOYSA-N 0 0 424.571 0.072 20 10 HCCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000915056364 1077823355 /nfs/dbraw/zinc/82/33/55/1077823355.db2.gz BFXNTERBWVUDNL-UHFFFAOYSA-N 0 0 407.496 0.194 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CS(=O)(=O)CCCC(=O)N(C)C)CC2)cc1 ZINC000915362922 1077864117 /nfs/dbraw/zinc/86/41/17/1077864117.db2.gz QOIMMYOILGQCIW-UHFFFAOYSA-N 0 0 411.524 0.627 20 10 HCCDRN Cc1cc(C(=O)COC(=O)[C@H]2COCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000915416225 1077872880 /nfs/dbraw/zinc/87/28/80/1077872880.db2.gz HXMVWIOEUPKHKS-GOSISDBHSA-N 0 0 422.459 0.883 20 10 HCCDRN Cc1cc(C(=O)COC(=O)[C@@H]2COCCO2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000915416226 1077872904 /nfs/dbraw/zinc/87/29/04/1077872904.db2.gz HXMVWIOEUPKHKS-SFHVURJKSA-N 0 0 422.459 0.883 20 10 HCCDRN CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000915421848 1077873838 /nfs/dbraw/zinc/87/38/38/1077873838.db2.gz HREVWYVFUODTKA-UHFFFAOYSA-N 0 0 408.480 0.804 20 10 HCCDRN Nc1c(C(=O)OCC(=O)N2CCNC(=O)C2)ccc2c1C(=O)c1ccccc1C2=O ZINC000915550486 1077920896 /nfs/dbraw/zinc/92/08/96/1077920896.db2.gz JKPPEKQYOBREKT-UHFFFAOYSA-N 0 0 407.382 0.159 20 10 HCCDRN COc1ccc(N2CCN(C(=O)COC(=O)CCCN3C(=O)CCC3=O)CC2)cc1 ZINC000915556303 1077922986 /nfs/dbraw/zinc/92/29/86/1077922986.db2.gz JNDOYXHLNRMXLZ-UHFFFAOYSA-N 0 0 417.462 0.816 20 10 HCCDRN COCC(=O)NC1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000915680387 1077954653 /nfs/dbraw/zinc/95/46/53/1077954653.db2.gz KLWWJFNRGWXPCG-UHFFFAOYSA-N 0 0 404.511 0.571 20 10 HCCDRN NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000915778898 1077974695 /nfs/dbraw/zinc/97/46/95/1077974695.db2.gz SYSQFFXCBDGJCJ-UHFFFAOYSA-N 0 0 423.473 0.757 20 10 HCCDRN Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000916143668 1078068242 /nfs/dbraw/zinc/06/82/42/1078068242.db2.gz AZELFSANXKTLTR-UHFFFAOYSA-N 0 0 420.535 0.534 20 10 HCCDRN CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916294149 1078078243 /nfs/dbraw/zinc/07/82/43/1078078243.db2.gz BPNSJVHGSDAQSY-UHFFFAOYSA-N 0 0 424.445 0.890 20 10 HCCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000916433446 1078085369 /nfs/dbraw/zinc/08/53/69/1078085369.db2.gz SBETYIVGJBMHKX-UHFFFAOYSA-N 0 0 403.527 0.829 20 10 HCCDRN CCN(CC)c1ccc(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000916502147 1078090511 /nfs/dbraw/zinc/09/05/11/1078090511.db2.gz AOGSFRHPWFTORO-UHFFFAOYSA-N 0 0 412.494 0.986 20 10 HCCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@@]34CCC(=O)N3CCS4)CC2)cc1 ZINC000916532474 1078091779 /nfs/dbraw/zinc/09/17/79/1078091779.db2.gz MIOYFXLBFFFVMM-FQEVSTJZSA-N 0 0 419.503 0.953 20 10 HCCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@]34CCC(=O)N3CCS4)CC2)cc1 ZINC000916532475 1078091835 /nfs/dbraw/zinc/09/18/35/1078091835.db2.gz MIOYFXLBFFFVMM-HXUWFJFHSA-N 0 0 419.503 0.953 20 10 HCCDRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000916591440 1078094251 /nfs/dbraw/zinc/09/42/51/1078094251.db2.gz LSTTZDSFFXUIAI-UHFFFAOYSA-N 0 0 422.415 0.761 20 10 HCCDRN NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000916625367 1078095820 /nfs/dbraw/zinc/09/58/20/1078095820.db2.gz GQJRLYSCLWKGHJ-UHFFFAOYSA-N 0 0 410.418 0.630 20 10 HCCDRN Cn1c(N)c(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)n(C)c1=O ZINC000916645141 1078110128 /nfs/dbraw/zinc/11/01/28/1078110128.db2.gz SKZGQZIBQCHTJA-AWEZNQCLSA-N 0 0 402.451 0.236 20 10 HCCDRN Cn1c(N)c(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c(=O)n(C)c1=O ZINC000916645143 1078110452 /nfs/dbraw/zinc/11/04/52/1078110452.db2.gz SKZGQZIBQCHTJA-CQSZACIVSA-N 0 0 402.451 0.236 20 10 HCCDRN O=C(CCNC(=O)c1ccco1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000916676382 1078123054 /nfs/dbraw/zinc/12/30/54/1078123054.db2.gz KENWPFIIHANFBG-UHFFFAOYSA-N 0 0 405.476 0.951 20 10 HCCDRN Cc1cc(C)n2nc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)nc2n1 ZINC000916676668 1078122940 /nfs/dbraw/zinc/12/29/40/1078122940.db2.gz OESNLRXYYHXIIN-UHFFFAOYSA-N 0 0 414.491 0.906 20 10 HCCDRN O=C(CSc1nnnn1C1CC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000916676719 1078123079 /nfs/dbraw/zinc/12/30/79/1078123079.db2.gz GOCFRWJPLBOOAJ-UHFFFAOYSA-N 0 0 422.536 0.651 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000916676764 1078123095 /nfs/dbraw/zinc/12/30/95/1078123095.db2.gz QWGAKKRQLORANW-UHFFFAOYSA-N 0 0 412.475 0.827 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc2sccn2c1=O ZINC000916676829 1078123042 /nfs/dbraw/zinc/12/30/42/1078123042.db2.gz VGZZNINAEAFLBD-UHFFFAOYSA-N 0 0 418.500 0.921 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1-n1cnnn1 ZINC000916676921 1078122704 /nfs/dbraw/zinc/12/27/04/1078122704.db2.gz JSUCYUHIKUCYTE-UHFFFAOYSA-N 0 0 412.475 0.827 20 10 HCCDRN CN(C)C(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000916979232 1078181628 /nfs/dbraw/zinc/18/16/28/1078181628.db2.gz XQDDQSBUKARKIJ-UHFFFAOYSA-N 0 0 407.490 0.578 20 10 HCCDRN CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000916983589 1078183505 /nfs/dbraw/zinc/18/35/05/1078183505.db2.gz XUTJLQDZEMMIHC-UHFFFAOYSA-N 0 0 421.517 0.032 20 10 HCCDRN O=C(CN1CCN(C(=O)C2CC2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000916984401 1078183326 /nfs/dbraw/zinc/18/33/26/1078183326.db2.gz GOJBXFOBZBGGKZ-UHFFFAOYSA-N 0 0 404.486 0.833 20 10 HCCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(N)=O)CC3)cc2F)C[C@H](C)O1 ZINC000917023354 1078187228 /nfs/dbraw/zinc/18/72/28/1078187228.db2.gz ZDSHQICTJKKUIO-HOTGVXAUSA-N 0 0 421.517 0.158 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(N)=O)CC3)cc2F)C[C@@H](C)O1 ZINC000917023355 1078187302 /nfs/dbraw/zinc/18/73/02/1078187302.db2.gz ZDSHQICTJKKUIO-HZPDHXFCSA-N 0 0 421.517 0.158 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCN(CC(N)=O)CC3)cc2F)C[C@H](C)O1 ZINC000917023356 1078187865 /nfs/dbraw/zinc/18/78/65/1078187865.db2.gz ZDSHQICTJKKUIO-IYBDPMFKSA-N 0 0 421.517 0.158 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)N1CCOCC1 ZINC000917030631 1078189172 /nfs/dbraw/zinc/18/91/72/1078189172.db2.gz KSHJBFKBXIRRCK-UHFFFAOYSA-N 0 0 408.474 0.069 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC(=O)NC(C)C)CC1)cc2=O ZINC000917053294 1078190580 /nfs/dbraw/zinc/19/05/80/1078190580.db2.gz XZXZWHAPVWVJDF-UHFFFAOYSA-N 0 0 404.471 0.254 20 10 HCCDRN COCC(=O)NC1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000917055577 1078192440 /nfs/dbraw/zinc/19/24/40/1078192440.db2.gz POQLQIRLWSYVFD-UHFFFAOYSA-N 0 0 422.501 0.506 20 10 HCCDRN CN(C)c1ccc(CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000917074130 1078199263 /nfs/dbraw/zinc/19/92/63/1078199263.db2.gz PZMGRLARKHWYKL-HNNXBMFYSA-N 0 0 408.524 0.730 20 10 HCCDRN CN(C)c1ccc(CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 ZINC000917074131 1078199455 /nfs/dbraw/zinc/19/94/55/1078199455.db2.gz PZMGRLARKHWYKL-OAHLLOKOSA-N 0 0 408.524 0.730 20 10 HCCDRN CC(C)N(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000917074971 1078199277 /nfs/dbraw/zinc/19/92/77/1078199277.db2.gz NIJPRNDQZNASKS-INIZCTEOSA-N 0 0 410.540 0.976 20 10 HCCDRN CC(C)N(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000917074972 1078199353 /nfs/dbraw/zinc/19/93/53/1078199353.db2.gz NIJPRNDQZNASKS-MRXNPFEDSA-N 0 0 410.540 0.976 20 10 HCCDRN COC(=O)/C=C\c1ccc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000917080977 1078205108 /nfs/dbraw/zinc/20/51/08/1078205108.db2.gz ZKCZIQVOOMZXIP-CLTKARDFSA-N 0 0 402.407 0.708 20 10 HCCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000917082383 1078202279 /nfs/dbraw/zinc/20/22/79/1078202279.db2.gz NKTSLLIDNBIHBR-UHFFFAOYSA-N 0 0 421.410 0.575 20 10 HCCDRN COc1ccc(N2CCCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000917090030 1078205868 /nfs/dbraw/zinc/20/58/68/1078205868.db2.gz VTUCOTHIBOKNHY-HNNXBMFYSA-N 0 0 424.523 0.220 20 10 HCCDRN COc1ccc(N2CCCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000917090031 1078205506 /nfs/dbraw/zinc/20/55/06/1078205506.db2.gz VTUCOTHIBOKNHY-OAHLLOKOSA-N 0 0 424.523 0.220 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C(=O)N3CCCC3)CC1)cc2=O ZINC000917092477 1078208887 /nfs/dbraw/zinc/20/88/87/1078208887.db2.gz VBMLBCUYTYQSMN-UHFFFAOYSA-N 0 0 402.455 0.945 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC(=O)N[C@@H](C)CC)CC1)cc2=O ZINC000917097057 1078210385 /nfs/dbraw/zinc/21/03/85/1078210385.db2.gz UAIINKZKAGEHPK-AWEZNQCLSA-N 0 0 418.498 0.644 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC(=O)N[C@H](C)CC)CC1)cc2=O ZINC000917097058 1078210302 /nfs/dbraw/zinc/21/03/02/1078210302.db2.gz UAIINKZKAGEHPK-CQSZACIVSA-N 0 0 418.498 0.644 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C(=O)c3ccccn3)CC1)cc2=O ZINC000917098601 1078208213 /nfs/dbraw/zinc/20/82/13/1078208213.db2.gz JCAGWHXHGMUMEF-UHFFFAOYSA-N 0 0 410.434 0.965 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1CNS(C)(=O)=O)cc2=O ZINC000917101804 1078211698 /nfs/dbraw/zinc/21/16/98/1078211698.db2.gz CZOLKJYYFRXTJH-CYBMUJFWSA-N 0 0 411.484 0.515 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1CNS(C)(=O)=O)cc2=O ZINC000917101805 1078211581 /nfs/dbraw/zinc/21/15/81/1078211581.db2.gz CZOLKJYYFRXTJH-ZDUSSCGKSA-N 0 0 411.484 0.515 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](CNS(C)(=O)=O)C3)CC2)cc1 ZINC000917104503 1078214460 /nfs/dbraw/zinc/21/44/60/1078214460.db2.gz BCSDHNWVGNQZJS-KRWDZBQOSA-N 0 0 424.567 0.605 20 10 HCCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](CNS(C)(=O)=O)C3)CC2)cc1 ZINC000917104504 1078214532 /nfs/dbraw/zinc/21/45/32/1078214532.db2.gz BCSDHNWVGNQZJS-QGZVFWFLSA-N 0 0 424.567 0.605 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C(=O)c3cccn3C)CC1)cc2=O ZINC000917126468 1078221845 /nfs/dbraw/zinc/22/18/45/1078221845.db2.gz DQRILDCEVAAHCV-UHFFFAOYSA-N 0 0 412.450 0.908 20 10 HCCDRN Cc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 ZINC000917133123 1078226000 /nfs/dbraw/zinc/22/60/00/1078226000.db2.gz JUVYMUYUQUUDOO-HNNXBMFYSA-N 0 0 404.492 0.864 20 10 HCCDRN Cc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 ZINC000917133124 1078226010 /nfs/dbraw/zinc/22/60/10/1078226010.db2.gz JUVYMUYUQUUDOO-OAHLLOKOSA-N 0 0 404.492 0.864 20 10 HCCDRN Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 ZINC000917134421 1078226997 /nfs/dbraw/zinc/22/69/97/1078226997.db2.gz RMUOMZABYATGCN-HNNXBMFYSA-N 0 0 404.492 0.912 20 10 HCCDRN Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccn1 ZINC000917134422 1078226796 /nfs/dbraw/zinc/22/67/96/1078226796.db2.gz RMUOMZABYATGCN-OAHLLOKOSA-N 0 0 404.492 0.912 20 10 HCCDRN O=C(Cn1nnn(-c2ccccc2)c1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917204822 1078241513 /nfs/dbraw/zinc/24/15/13/1078241513.db2.gz MNJSMTCNIVACID-UHFFFAOYSA-N 0 0 412.425 0.721 20 10 HCCDRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000917356466 1078272929 /nfs/dbraw/zinc/27/29/29/1078272929.db2.gz UBTRVGMVTWLUGD-UHFFFAOYSA-N 0 0 407.448 0.693 20 10 HCCDRN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000917371677 1078275418 /nfs/dbraw/zinc/27/54/18/1078275418.db2.gz QLZQNCFYEAOEJI-UHFFFAOYSA-N 0 0 422.459 0.912 20 10 HCCDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000917371726 1078275417 /nfs/dbraw/zinc/27/54/17/1078275417.db2.gz URGZSFYHVQDSIM-UHFFFAOYSA-N 0 0 421.475 0.437 20 10 HCCDRN CCOC(=O)C1=C(C)C(C(=O)NC)=S=C1NC(=O)c1cc(C)nc2cc(C)nn21 ZINC000917626487 1078315995 /nfs/dbraw/zinc/31/59/95/1078315995.db2.gz HQENYAGXGKUPDV-UHFFFAOYSA-N 0 0 415.475 0.751 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(=O)(=O)c1cccnc1 ZINC000917708133 1078326047 /nfs/dbraw/zinc/32/60/47/1078326047.db2.gz GUXARJHHXFMSCS-UHFFFAOYSA-N 0 0 422.482 0.994 20 10 HCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000917708434 1078325967 /nfs/dbraw/zinc/32/59/67/1078325967.db2.gz HHXVYOPFWFRPOY-UHFFFAOYSA-N 0 0 420.466 0.776 20 10 HCCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000917708941 1078325991 /nfs/dbraw/zinc/32/59/91/1078325991.db2.gz PPPQNAHEQOUGPS-UHFFFAOYSA-N 0 0 420.466 0.776 20 10 HCCDRN COc1ccc(N2CCCN(C(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000917822238 1078337022 /nfs/dbraw/zinc/33/70/22/1078337022.db2.gz FMFPLJISSRHVNR-UHFFFAOYSA-N 0 0 423.473 0.993 20 10 HCCDRN CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O ZINC000917832362 1078337435 /nfs/dbraw/zinc/33/74/35/1078337435.db2.gz UYTOUXDCDKBTEX-BTYIYWSLSA-N 0 0 415.494 0.725 20 10 HCCDRN CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O ZINC000917832363 1078337480 /nfs/dbraw/zinc/33/74/80/1078337480.db2.gz UYTOUXDCDKBTEX-QVKFZJNVSA-N 0 0 415.494 0.725 20 10 HCCDRN CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O ZINC000917832364 1078337483 /nfs/dbraw/zinc/33/74/83/1078337483.db2.gz UYTOUXDCDKBTEX-VFNWGFHPSA-N 0 0 415.494 0.725 20 10 HCCDRN CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O ZINC000917832365 1078337423 /nfs/dbraw/zinc/33/74/23/1078337423.db2.gz UYTOUXDCDKBTEX-YCRPNKLZSA-N 0 0 415.494 0.725 20 10 HCCDRN CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917832504 1078337380 /nfs/dbraw/zinc/33/73/80/1078337380.db2.gz BVGDNNCBUHAGQB-NVXWUHKLSA-N 0 0 408.524 0.429 20 10 HCCDRN CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917832505 1078337457 /nfs/dbraw/zinc/33/74/57/1078337457.db2.gz BVGDNNCBUHAGQB-WBVHZDCISA-N 0 0 408.524 0.429 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cc2)C1 ZINC000917832735 1078337400 /nfs/dbraw/zinc/33/74/00/1078337400.db2.gz GHZUPZIJSNKBBD-INIZCTEOSA-N 0 0 420.473 0.810 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cc2)C1 ZINC000917832737 1078337469 /nfs/dbraw/zinc/33/74/69/1078337469.db2.gz GHZUPZIJSNKBBD-MRXNPFEDSA-N 0 0 420.473 0.810 20 10 HCCDRN CN1CC(=O)N(CCCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O ZINC000917833036 1078337475 /nfs/dbraw/zinc/33/74/75/1078337475.db2.gz KVHVHQREKVSEFA-INIZCTEOSA-N 0 0 415.494 0.679 20 10 HCCDRN CN1CC(=O)N(CCCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O ZINC000917833037 1078337442 /nfs/dbraw/zinc/33/74/42/1078337442.db2.gz KVHVHQREKVSEFA-MRXNPFEDSA-N 0 0 415.494 0.679 20 10 HCCDRN COCCN1C[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O ZINC000917833609 1078337427 /nfs/dbraw/zinc/33/74/27/1078337427.db2.gz CUKOUYFKTJBMOA-IAGOWNOFSA-N 0 0 402.495 0.499 20 10 HCCDRN COCCN1C[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1=O ZINC000917833610 1078337448 /nfs/dbraw/zinc/33/74/48/1078337448.db2.gz CUKOUYFKTJBMOA-SJORKVTESA-N 0 0 402.495 0.499 20 10 HCCDRN Cn1ncc2c1ncn(CC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)c2=O ZINC000917833985 1078337711 /nfs/dbraw/zinc/33/77/11/1078337711.db2.gz FSISWRSYBGWEMK-HNNXBMFYSA-N 0 0 423.477 0.148 20 10 HCCDRN Cn1ncc2c1ncn(CC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)c2=O ZINC000917833986 1078337675 /nfs/dbraw/zinc/33/76/75/1078337675.db2.gz FSISWRSYBGWEMK-OAHLLOKOSA-N 0 0 423.477 0.148 20 10 HCCDRN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917834241 1078337607 /nfs/dbraw/zinc/33/76/07/1078337607.db2.gz HAYLJTZVSKIIDA-AEFFLSMTSA-N 0 0 422.551 0.819 20 10 HCCDRN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000917834243 1078337699 /nfs/dbraw/zinc/33/76/99/1078337699.db2.gz HAYLJTZVSKIIDA-FUHWJXTLSA-N 0 0 422.551 0.819 20 10 HCCDRN CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917834245 1078337626 /nfs/dbraw/zinc/33/76/26/1078337626.db2.gz HAYLJTZVSKIIDA-SJLPKXTDSA-N 0 0 422.551 0.819 20 10 HCCDRN CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000917834246 1078337588 /nfs/dbraw/zinc/33/75/88/1078337588.db2.gz HAYLJTZVSKIIDA-WMZOPIPTSA-N 0 0 422.551 0.819 20 10 HCCDRN CS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000917834763 1078337669 /nfs/dbraw/zinc/33/76/69/1078337669.db2.gz PILYMBVFDYCLOO-KRWDZBQOSA-N 0 0 422.551 0.676 20 10 HCCDRN CS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000917834764 1078337655 /nfs/dbraw/zinc/33/76/55/1078337655.db2.gz PILYMBVFDYCLOO-QGZVFWFLSA-N 0 0 422.551 0.676 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCN3C(=O)CCC3=O)cc2)C1 ZINC000917837529 1078337984 /nfs/dbraw/zinc/33/79/84/1078337984.db2.gz XKDLADGJTDZGGH-INIZCTEOSA-N 0 0 400.479 0.934 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCN3C(=O)CCC3=O)cc2)C1 ZINC000917837530 1078337990 /nfs/dbraw/zinc/33/79/90/1078337990.db2.gz XKDLADGJTDZGGH-MRXNPFEDSA-N 0 0 400.479 0.934 20 10 HCCDRN COCCN(CCOC)S(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917917650 1078348219 /nfs/dbraw/zinc/34/82/19/1078348219.db2.gz FCSCAEHPKWOOEW-UHFFFAOYSA-N 0 0 405.492 0.592 20 10 HCCDRN COC(=O)C1CCN(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000917918502 1078348396 /nfs/dbraw/zinc/34/83/96/1078348396.db2.gz SDXYEJXVZXUTTB-UHFFFAOYSA-N 0 0 415.487 0.882 20 10 HCCDRN C[C@@H]1CN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](C)O1 ZINC000917930371 1078350479 /nfs/dbraw/zinc/35/04/79/1078350479.db2.gz RDBRESVRAJBBEJ-BFYDXBDKSA-N 0 0 410.540 0.832 20 10 HCCDRN C[C@@H]1CN(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC000917930372 1078350454 /nfs/dbraw/zinc/35/04/54/1078350454.db2.gz RDBRESVRAJBBEJ-HLLBOEOZSA-N 0 0 410.540 0.832 20 10 HCCDRN C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918008073 1078355149 /nfs/dbraw/zinc/35/51/49/1078355149.db2.gz BPLIFXBPEVTBPZ-FUHWJXTLSA-N 0 0 403.527 0.908 20 10 HCCDRN C[C@H](CN1CCOCC1)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918008076 1078355117 /nfs/dbraw/zinc/35/51/17/1078355117.db2.gz BPLIFXBPEVTBPZ-SJLPKXTDSA-N 0 0 403.527 0.908 20 10 HCCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1CCOCC1 ZINC000918008174 1078355142 /nfs/dbraw/zinc/35/51/42/1078355142.db2.gz KIPPPUQROIVMEY-FUHWJXTLSA-N 0 0 403.527 0.908 20 10 HCCDRN C[C@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)N1CCOCC1 ZINC000918008176 1078355126 /nfs/dbraw/zinc/35/51/26/1078355126.db2.gz KIPPPUQROIVMEY-SJLPKXTDSA-N 0 0 403.527 0.908 20 10 HCCDRN CS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000918117801 1078366081 /nfs/dbraw/zinc/36/60/81/1078366081.db2.gz JHALGPHIJMMWPD-INIZCTEOSA-N 0 0 423.539 0.175 20 10 HCCDRN CS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000918117802 1078366010 /nfs/dbraw/zinc/36/60/10/1078366010.db2.gz JHALGPHIJMMWPD-MRXNPFEDSA-N 0 0 423.539 0.175 20 10 HCCDRN CCS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000918118365 1078365998 /nfs/dbraw/zinc/36/59/98/1078365998.db2.gz ZZRWHLPARXEVRS-HNNXBMFYSA-N 0 0 411.528 0.127 20 10 HCCDRN CCS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918118366 1078365969 /nfs/dbraw/zinc/36/59/69/1078365969.db2.gz ZZRWHLPARXEVRS-OAHLLOKOSA-N 0 0 411.528 0.127 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCOCC3)cc2)C1 ZINC000918119272 1078365972 /nfs/dbraw/zinc/36/59/72/1078365972.db2.gz YXLMKZMTZANETA-GOSISDBHSA-N 0 0 403.527 0.910 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCOCC3)cc2)C1 ZINC000918119274 1078366018 /nfs/dbraw/zinc/36/60/18/1078366018.db2.gz YXLMKZMTZANETA-SFHVURJKSA-N 0 0 403.527 0.910 20 10 HCCDRN CNC(=O)Cn1cc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cn1 ZINC000918121500 1078366194 /nfs/dbraw/zinc/36/61/94/1078366194.db2.gz HMDJCRLYIZAEIH-HNNXBMFYSA-N 0 0 413.482 0.653 20 10 HCCDRN CNC(=O)Cn1cc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 ZINC000918121507 1078366230 /nfs/dbraw/zinc/36/62/30/1078366230.db2.gz HMDJCRLYIZAEIH-OAHLLOKOSA-N 0 0 413.482 0.653 20 10 HCCDRN NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000918121934 1078366209 /nfs/dbraw/zinc/36/62/09/1078366209.db2.gz JRHNCMYSNOUHHI-DLBZAZTESA-N 0 0 416.526 0.978 20 10 HCCDRN NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000918121944 1078366225 /nfs/dbraw/zinc/36/62/25/1078366225.db2.gz JRHNCMYSNOUHHI-IAGOWNOFSA-N 0 0 416.526 0.978 20 10 HCCDRN NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000918121949 1078366216 /nfs/dbraw/zinc/36/62/16/1078366216.db2.gz JRHNCMYSNOUHHI-IRXDYDNUSA-N 0 0 416.526 0.978 20 10 HCCDRN NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000918121956 1078366263 /nfs/dbraw/zinc/36/62/63/1078366263.db2.gz JRHNCMYSNOUHHI-SJORKVTESA-N 0 0 416.526 0.978 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)NC3CC3)cc2)C1 ZINC000918122009 1078366287 /nfs/dbraw/zinc/36/62/87/1078366287.db2.gz JXJXDYLOARKUEE-HNNXBMFYSA-N 0 0 423.539 0.269 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)NC3CC3)cc2)C1 ZINC000918122017 1078366269 /nfs/dbraw/zinc/36/62/69/1078366269.db2.gz JXJXDYLOARKUEE-OAHLLOKOSA-N 0 0 423.539 0.269 20 10 HCCDRN CS(=O)(=O)N1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000918199701 1078372280 /nfs/dbraw/zinc/37/22/80/1078372280.db2.gz OPPHGZORHZNTBY-UHFFFAOYSA-N 0 0 414.503 0.886 20 10 HCCDRN O=C(NCCC(=O)N1CCOCC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000918202602 1078372253 /nfs/dbraw/zinc/37/22/53/1078372253.db2.gz WHIBNBZDDGMIBJ-UHFFFAOYSA-N 0 0 408.474 0.835 20 10 HCCDRN O=C(NCCC(=O)N1CCOCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000918202643 1078372231 /nfs/dbraw/zinc/37/22/31/1078372231.db2.gz WPDLMPUBCPAYKG-UHFFFAOYSA-N 0 0 404.511 0.943 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCNS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000918204084 1078372464 /nfs/dbraw/zinc/37/24/64/1078372464.db2.gz PUCLEIIKJJYQDX-BETUJISGSA-N 0 0 402.492 0.788 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCNS(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000918204085 1078372426 /nfs/dbraw/zinc/37/24/26/1078372426.db2.gz PUCLEIIKJJYQDX-CHWSQXEVSA-N 0 0 402.492 0.788 20 10 HCCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCNS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000918204086 1078372458 /nfs/dbraw/zinc/37/24/58/1078372458.db2.gz PUCLEIIKJJYQDX-STQMWFEESA-N 0 0 402.492 0.788 20 10 HCCDRN CN(CCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)S(C)(=O)=O ZINC000918208399 1078372721 /nfs/dbraw/zinc/37/27/21/1078372721.db2.gz DNIWIXPBPBZBDL-UHFFFAOYSA-N 0 0 416.519 0.868 20 10 HCCDRN CN(CCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(C)(=O)=O ZINC000918208407 1078372658 /nfs/dbraw/zinc/37/26/58/1078372658.db2.gz DUGGUFSZBSNMQL-UHFFFAOYSA-N 0 0 402.492 0.743 20 10 HCCDRN CN(CCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)S(C)(=O)=O ZINC000918208861 1078372708 /nfs/dbraw/zinc/37/27/08/1078372708.db2.gz HYVJVEZIBXFENE-UHFFFAOYSA-N 0 0 412.556 0.976 20 10 HCCDRN O=C(NCCS(=O)(=O)NC1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918210948 1078372670 /nfs/dbraw/zinc/37/26/70/1078372670.db2.gz AUOPUXPZGLBUMH-UHFFFAOYSA-N 0 0 400.476 0.543 20 10 HCCDRN O=C(NCCS(=O)(=O)NC1CC1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000918211411 1078372714 /nfs/dbraw/zinc/37/27/14/1078372714.db2.gz NPYWPKLSWXMWKR-UHFFFAOYSA-N 0 0 414.503 0.668 20 10 HCCDRN CN1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000918211712 1078372697 /nfs/dbraw/zinc/37/26/97/1078372697.db2.gz MCSBPYROKGGSBT-UHFFFAOYSA-N 0 0 407.490 0.626 20 10 HCCDRN CCS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000918211793 1078372931 /nfs/dbraw/zinc/37/29/31/1078372931.db2.gz DYORPRPPNQNEOG-UHFFFAOYSA-N 0 0 402.492 0.525 20 10 HCCDRN CN1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000918212060 1078372914 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CS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000918219088 1078372257 /nfs/dbraw/zinc/37/22/57/1078372257.db2.gz DDHNABKCINIADG-UHFFFAOYSA-N 0 0 414.503 0.574 20 10 HCCDRN CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000918220276 1078375001 /nfs/dbraw/zinc/37/50/01/1078375001.db2.gz ABEPDECHNKQDNT-UHFFFAOYSA-N 0 0 421.517 0.750 20 10 HCCDRN COCC(=O)N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000918221302 1078375013 /nfs/dbraw/zinc/37/50/13/1078375013.db2.gz UTYWCKHNQGKTRK-UHFFFAOYSA-N 0 0 408.474 0.787 20 10 HCCDRN CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000918222865 1078374982 /nfs/dbraw/zinc/37/49/82/1078374982.db2.gz AFSRAXHVADBWFS-UHFFFAOYSA-N 0 0 407.490 0.626 20 10 HCCDRN CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000918222896 1078375019 /nfs/dbraw/zinc/37/50/19/1078375019.db2.gz AUAANHDJIFBEMT-HNNXBMFYSA-N 0 0 414.503 0.886 20 10 HCCDRN CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000918222898 1078374986 /nfs/dbraw/zinc/37/49/86/1078374986.db2.gz AUAANHDJIFBEMT-OAHLLOKOSA-N 0 0 414.503 0.886 20 10 HCCDRN O=C(CN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1)NC1CC1 ZINC000918223710 1078375196 /nfs/dbraw/zinc/37/51/96/1078375196.db2.gz IGORWIYLLIOULY-UHFFFAOYSA-N 0 0 419.501 0.768 20 10 HCCDRN CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000918224715 1078375142 /nfs/dbraw/zinc/37/51/42/1078375142.db2.gz VDMYSAXJHAXSRT-UHFFFAOYSA-N 0 0 414.503 0.839 20 10 HCCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000918229002 1078373551 /nfs/dbraw/zinc/37/35/51/1078373551.db2.gz TYDQDSIGTIKWLN-UHFFFAOYSA-N 0 0 400.487 0.573 20 10 HCCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000918267158 1078383060 /nfs/dbraw/zinc/38/30/60/1078383060.db2.gz SDYWRWHFRSBHGZ-UHFFFAOYSA-N 0 0 422.489 0.873 20 10 HCCDRN NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000918284631 1078381505 /nfs/dbraw/zinc/38/15/05/1078381505.db2.gz LDEVNHRNENPBJL-UHFFFAOYSA-N 0 0 414.437 0.945 20 10 HCCDRN COCCn1cc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000918284927 1078381489 /nfs/dbraw/zinc/38/14/89/1078381489.db2.gz VFQOAXYZIAXJAU-UHFFFAOYSA-N 0 0 405.430 0.760 20 10 HCCDRN NC(=O)Cn1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000918295266 1078385739 /nfs/dbraw/zinc/38/57/39/1078385739.db2.gz CHXMYZHULVKXTL-HNNXBMFYSA-N 0 0 401.423 0.220 20 10 HCCDRN NC(=O)Cn1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000918295268 1078385776 /nfs/dbraw/zinc/38/57/76/1078385776.db2.gz CHXMYZHULVKXTL-OAHLLOKOSA-N 0 0 401.423 0.220 20 10 HCCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 ZINC000918305465 1078384382 /nfs/dbraw/zinc/38/43/82/1078384382.db2.gz IRUTYRMLKHVAPM-UHFFFAOYSA-N 0 0 411.462 0.565 20 10 HCCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 ZINC000918305549 1078384408 /nfs/dbraw/zinc/38/44/08/1078384408.db2.gz JYVUGIBVCHLMMC-UHFFFAOYSA-N 0 0 410.478 0.681 20 10 HCCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000918306237 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1078389185 /nfs/dbraw/zinc/38/91/85/1078389185.db2.gz NSVFTHHHHPREOC-UHFFFAOYSA-N 0 0 402.476 0.363 20 10 HCCDRN C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918337798 1078389166 /nfs/dbraw/zinc/38/91/66/1078389166.db2.gz OGTWFFNZBWMTRI-AWEZNQCLSA-N 0 0 405.476 0.949 20 10 HCCDRN C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918337799 1078389127 /nfs/dbraw/zinc/38/91/27/1078389127.db2.gz OGTWFFNZBWMTRI-CQSZACIVSA-N 0 0 405.476 0.949 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000918338049 1078389189 /nfs/dbraw/zinc/38/91/89/1078389189.db2.gz KSLSYYWFBHDQSN-UHFFFAOYSA-N 0 0 412.475 0.827 20 10 HCCDRN CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918338244 1078389327 /nfs/dbraw/zinc/38/93/27/1078389327.db2.gz ZAACWBFLUHOXDQ-UHFFFAOYSA-N 0 0 416.565 0.999 20 10 HCCDRN O=C(CNC(=O)Cc1ccccc1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918339045 1078389432 /nfs/dbraw/zinc/38/94/32/1078389432.db2.gz ASODVMMRMKDTCS-UHFFFAOYSA-N 0 0 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ZINC000918340803 1078389527 /nfs/dbraw/zinc/38/95/27/1078389527.db2.gz VIOJXNHBQIBATB-UHFFFAOYSA-N 0 0 417.487 0.716 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000918340913 1078389567 /nfs/dbraw/zinc/38/95/67/1078389567.db2.gz XXSUSHMHYZPRPN-UHFFFAOYSA-N 0 0 406.420 0.860 20 10 HCCDRN Cc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C)n1-c1ccccn1 ZINC000918348047 1078392583 /nfs/dbraw/zinc/39/25/83/1078392583.db2.gz TXLGALRDENMNHV-UHFFFAOYSA-N 0 0 423.473 0.923 20 10 HCCDRN COc1ccc(N2CCCN(C(=O)CNS(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC000918368653 1078395224 /nfs/dbraw/zinc/39/52/24/1078395224.db2.gz BCQUFFGJUZNWMV-UHFFFAOYSA-N 0 0 407.496 0.446 20 10 HCCDRN CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000918370761 1078395610 /nfs/dbraw/zinc/39/56/10/1078395610.db2.gz BLHYXDTXRZZYDY-KRWDZBQOSA-N 0 0 403.527 0.461 20 10 HCCDRN CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918370765 1078395590 /nfs/dbraw/zinc/39/55/90/1078395590.db2.gz BLHYXDTXRZZYDY-QGZVFWFLSA-N 0 0 403.527 0.461 20 10 HCCDRN CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000918370942 1078395613 /nfs/dbraw/zinc/39/56/13/1078395613.db2.gz DEYYGUSVLCHZMR-AWEZNQCLSA-N 0 0 420.491 0.819 20 10 HCCDRN CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000918370945 1078395649 /nfs/dbraw/zinc/39/56/49/1078395649.db2.gz DEYYGUSVLCHZMR-CQSZACIVSA-N 0 0 420.491 0.819 20 10 HCCDRN Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000918371116 1078395560 /nfs/dbraw/zinc/39/55/60/1078395560.db2.gz DTWZEUXAESXOLR-AWEZNQCLSA-N 0 0 419.507 0.304 20 10 HCCDRN Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918371120 1078395531 /nfs/dbraw/zinc/39/55/31/1078395531.db2.gz DTWZEUXAESXOLR-CQSZACIVSA-N 0 0 419.507 0.304 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918371321 1078395642 /nfs/dbraw/zinc/39/56/42/1078395642.db2.gz GZTDSUJNSOHQNJ-AEFFLSMTSA-N 0 0 422.551 0.123 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918371340 1078395535 /nfs/dbraw/zinc/39/55/35/1078395535.db2.gz GZTDSUJNSOHQNJ-FUHWJXTLSA-N 0 0 422.551 0.123 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918371347 1078395526 /nfs/dbraw/zinc/39/55/26/1078395526.db2.gz GZTDSUJNSOHQNJ-SJLPKXTDSA-N 0 0 422.551 0.123 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918371351 1078395636 /nfs/dbraw/zinc/39/56/36/1078395636.db2.gz GZTDSUJNSOHQNJ-WMZOPIPTSA-N 0 0 422.551 0.123 20 10 HCCDRN COCCn1nc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1=O ZINC000918372804 1078396162 /nfs/dbraw/zinc/39/61/62/1078396162.db2.gz PXRNSVSDBUCGAT-INIZCTEOSA-N 0 0 413.478 0.521 20 10 HCCDRN COCCn1nc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1=O ZINC000918372805 1078396070 /nfs/dbraw/zinc/39/60/70/1078396070.db2.gz PXRNSVSDBUCGAT-MRXNPFEDSA-N 0 0 413.478 0.521 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC(=O)N3CCOCC3)cc2)C1 ZINC000918372858 1078396160 /nfs/dbraw/zinc/39/61/60/1078396160.db2.gz RCRPFUNWBRSHNY-KRWDZBQOSA-N 0 0 402.495 0.644 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC(=O)N3CCOCC3)cc2)C1 ZINC000918372859 1078396076 /nfs/dbraw/zinc/39/60/76/1078396076.db2.gz RCRPFUNWBRSHNY-QGZVFWFLSA-N 0 0 402.495 0.644 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCN3CCCS3(=O)=O)cc2)C1 ZINC000918373412 1078396433 /nfs/dbraw/zinc/39/64/33/1078396433.db2.gz YRELLROVOZVUBW-INIZCTEOSA-N 0 0 408.524 0.430 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCN3CCCS3(=O)=O)cc2)C1 ZINC000918373413 1078396375 /nfs/dbraw/zinc/39/63/75/1078396375.db2.gz YRELLROVOZVUBW-MRXNPFEDSA-N 0 0 408.524 0.430 20 10 HCCDRN COCCn1cc(NC(=O)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000918442754 1078424739 /nfs/dbraw/zinc/42/47/39/1078424739.db2.gz NDKIEGRQVVYKKG-UHFFFAOYSA-N 0 0 415.494 0.993 20 10 HCCDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000918444116 1078425083 /nfs/dbraw/zinc/42/50/83/1078425083.db2.gz MCTUUODGOLCIKZ-UHFFFAOYSA-N 0 0 413.430 0.821 20 10 HCCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)cc1 ZINC000918461609 1078433302 /nfs/dbraw/zinc/43/33/02/1078433302.db2.gz HZPCDHVBHSOLIV-UHFFFAOYSA-N 0 0 400.439 0.054 20 10 HCCDRN NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000918463607 1078434051 /nfs/dbraw/zinc/43/40/51/1078434051.db2.gz LLXSMPYFEBAKQK-INIZCTEOSA-N 0 0 423.473 0.742 20 10 HCCDRN NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000918463608 1078434017 /nfs/dbraw/zinc/43/40/17/1078434017.db2.gz LLXSMPYFEBAKQK-MRXNPFEDSA-N 0 0 423.473 0.742 20 10 HCCDRN Cn1cc(/C=C\C(=O)NCc2ccc(N3CCSCC3)cc2)c(=O)n(C)c1=O ZINC000918617134 1078498385 /nfs/dbraw/zinc/49/83/85/1078498385.db2.gz JJQHCURNZOHZHE-YVMONPNESA-N 0 0 400.504 0.967 20 10 HCCDRN Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cnc21 ZINC000918632650 1078516967 /nfs/dbraw/zinc/51/69/67/1078516967.db2.gz ALGVFPLZFWRQNZ-UHFFFAOYSA-N 0 0 413.409 0.940 20 10 HCCDRN Cn1cc(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(=O)n(C)c1=O ZINC000918632958 1078516915 /nfs/dbraw/zinc/51/69/15/1078516915.db2.gz FXYXBCFYBGGLCE-XQRVVYSFSA-N 0 0 402.426 0.389 20 10 HCCDRN CCN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)C1=O ZINC000918633801 1078503233 /nfs/dbraw/zinc/50/32/33/1078503233.db2.gz PAFWNMZELHPUSD-GASCZTMLSA-N 0 0 420.485 0.746 20 10 HCCDRN CCN1CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C(=O)C1=O ZINC000918633802 1078503113 /nfs/dbraw/zinc/50/31/13/1078503113.db2.gz PAFWNMZELHPUSD-GJZGRUSLSA-N 0 0 420.485 0.746 20 10 HCCDRN CCN1CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)C1=O ZINC000918633803 1078503322 /nfs/dbraw/zinc/50/33/22/1078503322.db2.gz PAFWNMZELHPUSD-HUUCEWRRSA-N 0 0 420.485 0.746 20 10 HCCDRN NS(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000918633861 1078503089 /nfs/dbraw/zinc/50/30/89/1078503089.db2.gz PMXAMIKXHGHPSV-UHFFFAOYSA-N 0 0 400.476 0.194 20 10 HCCDRN O=C(Cn1nc2ccccn2c1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918642841 1078527266 /nfs/dbraw/zinc/52/72/66/1078527266.db2.gz FITDXRAGYQMLJV-UHFFFAOYSA-N 0 0 415.475 0.047 20 10 HCCDRN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 ZINC000918642989 1078527286 /nfs/dbraw/zinc/52/72/86/1078527286.db2.gz HINOOOGBDIHSLC-APWZRJJASA-N 0 0 423.560 0.992 20 10 HCCDRN C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 ZINC000918642991 1078527483 /nfs/dbraw/zinc/52/74/83/1078527483.db2.gz HINOOOGBDIHSLC-LPHOPBHVSA-N 0 0 423.560 0.992 20 10 HCCDRN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 ZINC000918642993 1078527151 /nfs/dbraw/zinc/52/71/51/1078527151.db2.gz HINOOOGBDIHSLC-QFBILLFUSA-N 0 0 423.560 0.992 20 10 HCCDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)CS2 ZINC000918642995 1078527410 /nfs/dbraw/zinc/52/74/10/1078527410.db2.gz HINOOOGBDIHSLC-VQIMIIECSA-N 0 0 423.560 0.992 20 10 HCCDRN Cc1ccnc2nc(C(=O)NCc3ccc(N4CCS(=O)(=O)CC4)cc3)nn21 ZINC000918643995 1078527997 /nfs/dbraw/zinc/52/79/97/1078527997.db2.gz QSLFFTYKPLPQPZ-UHFFFAOYSA-N 0 0 400.464 0.598 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cnc2n(c1=O)CCS2 ZINC000918644480 1078528650 /nfs/dbraw/zinc/52/86/50/1078528650.db2.gz ZMANGYWKVNPLAQ-UHFFFAOYSA-N 0 0 420.516 0.514 20 10 HCCDRN Cn1nnnc1SCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918644713 1078528534 /nfs/dbraw/zinc/52/85/34/1078528534.db2.gz HITVMWFYEJJYEU-UHFFFAOYSA-N 0 0 410.525 0.244 20 10 HCCDRN NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)o1 ZINC000918644717 1078528673 /nfs/dbraw/zinc/52/86/73/1078528673.db2.gz HOBZMVGNSSNPJV-UHFFFAOYSA-N 0 0 413.477 0.092 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1sccc1-n1cnnn1 ZINC000918644734 1078528399 /nfs/dbraw/zinc/52/83/99/1078528399.db2.gz IGVKCWHEDWPGHL-UHFFFAOYSA-N 0 0 418.504 0.889 20 10 HCCDRN O=C(CNC(=O)NCc1ccco1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918645726 1078528583 /nfs/dbraw/zinc/52/85/83/1078528583.db2.gz XQOGLYRRULYNCZ-UHFFFAOYSA-N 0 0 420.491 0.630 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)C1 ZINC000918671562 1078531065 /nfs/dbraw/zinc/53/10/65/1078531065.db2.gz DFOORTLNXVTOPB-HNNXBMFYSA-N 0 0 421.457 0.848 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)C1 ZINC000918671563 1078531250 /nfs/dbraw/zinc/53/12/50/1078531250.db2.gz DFOORTLNXVTOPB-OAHLLOKOSA-N 0 0 421.457 0.848 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ncnc2nc[nH]c21 ZINC000918671576 1078530987 /nfs/dbraw/zinc/53/09/87/1078530987.db2.gz DWXRNCWKUYDGSG-HNNXBMFYSA-N 0 0 422.493 0.807 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ncnc2nc[nH]c21 ZINC000918671577 1078531887 /nfs/dbraw/zinc/53/18/87/1078531887.db2.gz DWXRNCWKUYDGSG-OAHLLOKOSA-N 0 0 422.493 0.807 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)o3)cc2)C1 ZINC000918671619 1078531750 /nfs/dbraw/zinc/53/17/50/1078531750.db2.gz FYPYWLRAWFKCGY-CYBMUJFWSA-N 0 0 406.464 0.559 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)o3)cc2)C1 ZINC000918671620 1078532078 /nfs/dbraw/zinc/53/20/78/1078532078.db2.gz FYPYWLRAWFKCGY-ZDUSSCGKSA-N 0 0 406.464 0.559 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cnc4n(c3=O)CCS4)cc2)C1 ZINC000918672723 1078534718 /nfs/dbraw/zinc/53/47/18/1078534718.db2.gz KHFROHYJMLHNSE-AWEZNQCLSA-N 0 0 413.503 0.981 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc4n(c3=O)CCS4)cc2)C1 ZINC000918672724 1078534676 /nfs/dbraw/zinc/53/46/76/1078534676.db2.gz KHFROHYJMLHNSE-CQSZACIVSA-N 0 0 413.503 0.981 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCCN3C(=O)CNC3=O)cc2)C1 ZINC000918674081 1078540734 /nfs/dbraw/zinc/54/07/34/1078540734.db2.gz VCMOWSHDNUSKCE-HNNXBMFYSA-N 0 0 401.467 0.337 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCCN3C(=O)CNC3=O)cc2)C1 ZINC000918674082 1078540690 /nfs/dbraw/zinc/54/06/90/1078540690.db2.gz VCMOWSHDNUSKCE-OAHLLOKOSA-N 0 0 401.467 0.337 20 10 HCCDRN O=C(CSCC(=O)N1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918699620 1078545482 /nfs/dbraw/zinc/54/54/82/1078545482.db2.gz NRCUPDTWMZVWDK-UHFFFAOYSA-N 0 0 411.499 0.871 20 10 HCCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)C1 ZINC000918705509 1078548174 /nfs/dbraw/zinc/54/81/74/1078548174.db2.gz CVAYBPCJMXNBTN-INIZCTEOSA-N 0 0 416.503 0.966 20 10 HCCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2)C1 ZINC000918705510 1078548203 /nfs/dbraw/zinc/54/82/03/1078548203.db2.gz CVAYBPCJMXNBTN-MRXNPFEDSA-N 0 0 416.503 0.966 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3=NNC(=O)CC3)cc2F)C[C@H](C)O1 ZINC000918797402 1078578969 /nfs/dbraw/zinc/57/89/69/1078578969.db2.gz QUMHSLFCPWASCF-BETUJISGSA-N 0 0 420.441 0.865 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)C3=NNC(=O)CC3)cc2F)C[C@@H](C)O1 ZINC000918797403 1078579287 /nfs/dbraw/zinc/57/92/87/1078579287.db2.gz QUMHSLFCPWASCF-CHWSQXEVSA-N 0 0 420.441 0.865 20 10 HCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)C3=NNC(=O)CC3)cc2F)C[C@H](C)O1 ZINC000918797404 1078579208 /nfs/dbraw/zinc/57/92/08/1078579208.db2.gz QUMHSLFCPWASCF-STQMWFEESA-N 0 0 420.441 0.865 20 10 HCCDRN CC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000918822866 1078586388 /nfs/dbraw/zinc/58/63/88/1078586388.db2.gz FOOVLSIUIQVBFA-IBGZPJMESA-N 0 0 409.458 0.982 20 10 HCCDRN CC(=O)N[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000918822867 1078586305 /nfs/dbraw/zinc/58/63/05/1078586305.db2.gz FOOVLSIUIQVBFA-LJQANCHMSA-N 0 0 409.458 0.982 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN1C(=O)N[C@](C)(CC)C1=O)cc2=O ZINC000918825513 1078601840 /nfs/dbraw/zinc/60/18/40/1078601840.db2.gz VYDNSFMDBFXBJZ-GOSISDBHSA-N 0 0 419.394 0.375 20 10 HCCDRN C[C@@H](NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N(C)C ZINC000918848233 1078611431 /nfs/dbraw/zinc/61/14/31/1078611431.db2.gz BQSAKGZLFOYCDU-LLVKDONJSA-N 0 0 423.425 0.794 20 10 HCCDRN C[C@H](NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N(C)C ZINC000918848234 1078611462 /nfs/dbraw/zinc/61/14/62/1078611462.db2.gz BQSAKGZLFOYCDU-NSHDSACASA-N 0 0 423.425 0.794 20 10 HCCDRN CC(C)(C)C(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918890705 1078634422 /nfs/dbraw/zinc/63/44/22/1078634422.db2.gz SRPGDCTYCAUUQN-UHFFFAOYSA-N 0 0 409.458 0.984 20 10 HCCDRN CC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918893354 1078635036 /nfs/dbraw/zinc/63/50/36/1078635036.db2.gz GQTOSZSAYYPUQS-SFHVURJKSA-N 0 0 407.442 0.833 20 10 HCCDRN O=C(COC(=O)CCN1C(=O)CCC1=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000918908652 1078639611 /nfs/dbraw/zinc/63/96/11/1078639611.db2.gz KDTAMXOSIZZBNP-UHFFFAOYSA-N 0 0 421.425 0.361 20 10 HCCDRN NC(=O)N1CCC[C@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000918911270 1078641340 /nfs/dbraw/zinc/64/13/40/1078641340.db2.gz JJDBOSLOSDMIAP-HNNXBMFYSA-N 0 0 422.457 0.612 20 10 HCCDRN NC(=O)N1CCC[C@@H](C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000918911272 1078641375 /nfs/dbraw/zinc/64/13/75/1078641375.db2.gz JJDBOSLOSDMIAP-OAHLLOKOSA-N 0 0 422.457 0.612 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(S(N)(=O)=O)cc1)cc2=O ZINC000918958111 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/nfs/dbraw/zinc/75/75/85/1078757585.db2.gz UQBUTOHKVYGUGK-UHFFFAOYSA-N 0 0 410.434 0.567 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CCCN1C(=O)CCC1=O)cc2=O ZINC000919156922 1078755274 /nfs/dbraw/zinc/75/52/74/1078755274.db2.gz WPCXVSCPWRQVAL-UHFFFAOYSA-N 0 0 404.379 0.584 20 10 HCCDRN Cn1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1=O ZINC000919201624 1078779062 /nfs/dbraw/zinc/77/90/62/1078779062.db2.gz KZZYJQWEBNTWTK-UHFFFAOYSA-N 0 0 403.410 0.834 20 10 HCCDRN C[C@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)CCC1=O ZINC000919257739 1078796482 /nfs/dbraw/zinc/79/64/82/1078796482.db2.gz DTIAZUBEKPEBDY-CYBMUJFWSA-N 0 0 421.425 0.359 20 10 HCCDRN C[C@@H](C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)N1C(=O)CCC1=O ZINC000919257740 1078796381 /nfs/dbraw/zinc/79/63/81/1078796381.db2.gz DTIAZUBEKPEBDY-ZDUSSCGKSA-N 0 0 421.425 0.359 20 10 HCCDRN Cn1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1=O ZINC000919268955 1078802420 /nfs/dbraw/zinc/80/24/20/1078802420.db2.gz RIUBZNYZLKFORS-UHFFFAOYSA-N 0 0 403.410 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ZINC000919698881 1078963261 /nfs/dbraw/zinc/96/32/61/1078963261.db2.gz AGWLEMHAIIGCAV-UHFFFAOYSA-N 0 0 423.452 0.815 20 10 HCCDRN CS(=O)(=O)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919701358 1078967628 /nfs/dbraw/zinc/96/76/28/1078967628.db2.gz YOSSIHXCKKJVMK-UHFFFAOYSA-N 0 0 407.471 0.603 20 10 HCCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccnc(-n2cncn2)c1 ZINC000919749928 1078997513 /nfs/dbraw/zinc/99/75/13/1078997513.db2.gz HXWDZUCJGVICCA-UHFFFAOYSA-N 0 0 412.475 0.827 20 10 HCCDRN CS(=O)(=O)CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919761511 1079003060 /nfs/dbraw/zinc/00/30/60/1079003060.db2.gz GKWLZHAOSAANDR-UHFFFAOYSA-N 0 0 421.498 0.993 20 10 HCCDRN Cn1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cc2c1n(C)c(=O)n(C)c2=O ZINC000919766807 1079004563 /nfs/dbraw/zinc/00/45/63/1079004563.db2.gz WOCNLNQJMXKFGW-UHFFFAOYSA-N 0 0 411.462 0.342 20 10 HCCDRN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCc1ccc(N2CCOCC2)cc1 ZINC000919767502 1079004533 /nfs/dbraw/zinc/00/45/33/1079004533.db2.gz 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O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000919767793 1079004852 /nfs/dbraw/zinc/00/48/52/1079004852.db2.gz XQQDUMTVNPRKFZ-WMZOPIPTSA-N 0 0 421.519 0.175 20 10 HCCDRN NC(=O)CCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000919783762 1079008519 /nfs/dbraw/zinc/00/85/19/1079008519.db2.gz LZTMJTYESGZVQS-UHFFFAOYSA-N 0 0 401.446 0.617 20 10 HCCDRN O=C(CCNC(=O)NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000919790106 1079009538 /nfs/dbraw/zinc/00/95/38/1079009538.db2.gz HEIBDQXBEPNYMC-INIZCTEOSA-N 0 0 424.523 0.016 20 10 HCCDRN O=C(CCNC(=O)NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000919790414 1079009628 /nfs/dbraw/zinc/00/96/28/1079009628.db2.gz HEIBDQXBEPNYMC-MRXNPFEDSA-N 0 0 424.523 0.016 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000919808979 1079017347 /nfs/dbraw/zinc/01/73/47/1079017347.db2.gz QUEORNLOWUDONN-UHFFFAOYSA-N 0 0 410.496 0.144 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000919809852 1079017883 /nfs/dbraw/zinc/01/78/83/1079017883.db2.gz QKTPMBFJTQEMPE-UHFFFAOYSA-N 0 0 424.523 0.534 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000919810215 1079017756 /nfs/dbraw/zinc/01/77/56/1079017756.db2.gz ICFHVEJBXOCZDP-UHFFFAOYSA-N 0 0 424.479 0.748 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)c1 ZINC000919810426 1079018296 /nfs/dbraw/zinc/01/82/96/1079018296.db2.gz UHKOXNYDGHROFJ-CYBMUJFWSA-N 0 0 420.447 0.771 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)c1 ZINC000919810427 1079018446 /nfs/dbraw/zinc/01/84/46/1079018446.db2.gz UHKOXNYDGHROFJ-ZDUSSCGKSA-N 0 0 420.447 0.771 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)c1 ZINC000919810765 1079018375 /nfs/dbraw/zinc/01/83/75/1079018375.db2.gz CZAKVAOPSIWFJA-UHFFFAOYSA-N 0 0 419.525 0.746 20 10 HCCDRN CNS(=O)(=O)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 ZINC000919811064 1079018704 /nfs/dbraw/zinc/01/87/04/1079018704.db2.gz CLZXPRDAEZETRW-UHFFFAOYSA-N 0 0 419.506 0.663 20 10 HCCDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919811351 1079018686 /nfs/dbraw/zinc/01/86/86/1079018686.db2.gz PLGPOJYUDPCQMQ-GFCCVEGCSA-N 0 0 410.496 0.189 20 10 HCCDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919811352 1079018797 /nfs/dbraw/zinc/01/87/97/1079018797.db2.gz PLGPOJYUDPCQMQ-LBPRGKRZSA-N 0 0 410.496 0.189 20 10 HCCDRN COc1cccc(C(=O)NCCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000919811605 1079018645 /nfs/dbraw/zinc/01/86/45/1079018645.db2.gz MFLPIDREGVEWKZ-UHFFFAOYSA-N 0 0 407.448 0.932 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 ZINC000919811783 1079018864 /nfs/dbraw/zinc/01/88/64/1079018864.db2.gz SPWUVLYFFLHKGG-UHFFFAOYSA-N 0 0 413.477 0.472 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000919812035 1079018724 /nfs/dbraw/zinc/01/87/24/1079018724.db2.gz ZCGWHRMALAUZLQ-UHFFFAOYSA-N 0 0 404.448 0.757 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000919812503 1079019252 /nfs/dbraw/zinc/01/92/52/1079019252.db2.gz AMZMMQSPTOBWMC-UHFFFAOYSA-N 0 0 419.463 0.220 20 10 HCCDRN CNS(=O)(=O)c1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000919812623 1079019039 /nfs/dbraw/zinc/01/90/39/1079019039.db2.gz JAPOUNBMHQWYAA-UHFFFAOYSA-N 0 0 413.477 0.602 20 10 HCCDRN COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1OCC(N)=O ZINC000919814656 1079014534 /nfs/dbraw/zinc/01/45/34/1079014534.db2.gz IPWIUUVCELPQDJ-UHFFFAOYSA-N 0 0 423.447 0.566 20 10 HCCDRN Cn1cccc1C(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919814680 1079014500 /nfs/dbraw/zinc/01/45/00/1079014500.db2.gz KQUNXHLFAYGVEQ-UHFFFAOYSA-N 0 0 406.464 0.700 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CCN(c3ncccn3)CC2)c1 ZINC000919816139 1079014790 /nfs/dbraw/zinc/01/47/90/1079014790.db2.gz OIBBEVSICCJPHM-UHFFFAOYSA-N 0 0 420.495 0.106 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000919816579 1079014866 /nfs/dbraw/zinc/01/48/66/1079014866.db2.gz HUOMMJZJPWPOFM-UHFFFAOYSA-N 0 0 404.448 0.757 20 10 HCCDRN CN1CC(=O)N(CCCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O ZINC000919848905 1079027228 /nfs/dbraw/zinc/02/72/28/1079027228.db2.gz VJPUQNOLGOPBQW-UHFFFAOYSA-N 0 0 422.507 0.212 20 10 HCCDRN CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000919849070 1079027577 /nfs/dbraw/zinc/02/75/77/1079027577.db2.gz FSHFLTLFVJCJHW-UHFFFAOYSA-N 0 0 417.553 0.256 20 10 HCCDRN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000919849428 1079027443 /nfs/dbraw/zinc/02/74/43/1079027443.db2.gz SESFRKIRDKFZIK-UHFFFAOYSA-N 0 0 407.452 0.733 20 10 HCCDRN CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000919850584 1079027619 /nfs/dbraw/zinc/02/76/19/1079027619.db2.gz SOJMAJRJQRWKJH-HNNXBMFYSA-N 0 0 410.540 0.722 20 10 HCCDRN CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000919850588 1079027487 /nfs/dbraw/zinc/02/74/87/1079027487.db2.gz SOJMAJRJQRWKJH-OAHLLOKOSA-N 0 0 410.540 0.722 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000919968377 1079060969 /nfs/dbraw/zinc/06/09/69/1079060969.db2.gz HSBFDDLPYPAMOW-IBGZPJMESA-N 0 0 409.552 0.630 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000919968378 1079060956 /nfs/dbraw/zinc/06/09/56/1079060956.db2.gz HSBFDDLPYPAMOW-LJQANCHMSA-N 0 0 409.552 0.630 20 10 HCCDRN Cn1ncc2c1ncn(CC(=O)NCc1ccc(N3CCC(CO)CC3)cc1)c2=O ZINC000919968527 1079061301 /nfs/dbraw/zinc/06/13/01/1079061301.db2.gz CWJBTEKOVYLXFM-UHFFFAOYSA-N 0 0 410.478 0.655 20 10 HCCDRN Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000919968901 1079061428 /nfs/dbraw/zinc/06/14/28/1079061428.db2.gz PCWRYHMVTRMFNF-UHFFFAOYSA-N 0 0 406.508 0.811 20 10 HCCDRN Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000919970120 1079061845 /nfs/dbraw/zinc/06/18/45/1079061845.db2.gz PIRRLRIERNKBKX-UHFFFAOYSA-N 0 0 421.523 0.224 20 10 HCCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nn1-c1nc[nH]n1 ZINC000919970717 1079062191 /nfs/dbraw/zinc/06/21/91/1079062191.db2.gz BAPMFGIXXFZZCZ-UHFFFAOYSA-N 0 0 400.418 0.724 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000919971391 1079062655 /nfs/dbraw/zinc/06/26/55/1079062655.db2.gz VDDYJGDVHHCHLV-HNNXBMFYSA-N 0 0 413.515 0.522 20 10 HCCDRN CN(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000919971392 1079062688 /nfs/dbraw/zinc/06/26/88/1079062688.db2.gz VDDYJGDVHHCHLV-OAHLLOKOSA-N 0 0 413.515 0.522 20 10 HCCDRN Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000919971421 1079062683 /nfs/dbraw/zinc/06/26/83/1079062683.db2.gz XHRJKLWWWCAADR-UHFFFAOYSA-N 0 0 410.471 0.703 20 10 HCCDRN Cc1nn(C)c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1[N+](=O)[O-] ZINC000919985434 1079069646 /nfs/dbraw/zinc/06/96/46/1079069646.db2.gz BQAADPJMWGQODH-UHFFFAOYSA-N 0 0 407.452 0.802 20 10 HCCDRN CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000920072007 1079095864 /nfs/dbraw/zinc/09/58/64/1079095864.db2.gz QFRWEAAFVYCJJB-UHFFFAOYSA-N 0 0 402.426 0.500 20 10 HCCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(c3nccc(OC)n3)CC1)cc2=O ZINC000920087358 1079105935 /nfs/dbraw/zinc/10/59/35/1079105935.db2.gz PAPQORSITAEMED-UHFFFAOYSA-N 0 0 413.438 0.732 20 10 HCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000920195639 1079132300 /nfs/dbraw/zinc/13/23/00/1079132300.db2.gz XGDBDANKLQHIFD-UHFFFAOYSA-N 0 0 407.434 0.754 20 10 HCCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000920195674 1079132096 /nfs/dbraw/zinc/13/20/96/1079132096.db2.gz ZFEUHZVYJIEIGT-UHFFFAOYSA-N 0 0 407.434 0.754 20 10 HCCDRN NC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000920196475 1079132290 /nfs/dbraw/zinc/13/22/90/1079132290.db2.gz WCXMSNBGLAXZAQ-UHFFFAOYSA-N 0 0 412.446 0.642 20 10 HCCDRN O=C(CN1CCC(C(=O)NCCO)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920208239 1079131078 /nfs/dbraw/zinc/13/10/78/1079131078.db2.gz DXEWATDQXHWFTI-UHFFFAOYSA-N 0 0 422.501 0.099 20 10 HCCDRN CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000920238488 1079136033 /nfs/dbraw/zinc/13/60/33/1079136033.db2.gz FSBYELNZIACFGY-HNNXBMFYSA-N 0 0 414.503 0.886 20 10 HCCDRN CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000920238489 1079136568 /nfs/dbraw/zinc/13/65/68/1079136568.db2.gz FSBYELNZIACFGY-OAHLLOKOSA-N 0 0 414.503 0.886 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCNC(=O)C(C)C)CC2)cc1 ZINC000920254182 1079139006 /nfs/dbraw/zinc/13/90/06/1079139006.db2.gz MAXSCTREVOPZHO-CMDGGOBGSA-N 0 0 402.495 0.788 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCNC(=O)C(C)C)CC2)cc1 ZINC000920254185 1079139014 /nfs/dbraw/zinc/13/90/14/1079139014.db2.gz MAXSCTREVOPZHO-HJWRWDBZSA-N 0 0 402.495 0.788 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CCCCNC3=O)CC2)cc1 ZINC000920255232 1079138929 /nfs/dbraw/zinc/13/89/29/1079138929.db2.gz CFTBPVBBBFHKHZ-BBVFFXRHSA-N 0 0 400.479 0.685 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CCCCNC3=O)CC2)cc1 ZINC000920255236 1079138903 /nfs/dbraw/zinc/13/89/03/1079138903.db2.gz CFTBPVBBBFHKHZ-HJCTWCACSA-N 0 0 400.479 0.685 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CCCCNC3=O)CC2)cc1 ZINC000920255239 1079139360 /nfs/dbraw/zinc/13/93/60/1079139360.db2.gz CFTBPVBBBFHKHZ-LPADLIQXSA-N 0 0 400.479 0.685 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CCCCNC3=O)CC2)cc1 ZINC000920255243 1079139364 /nfs/dbraw/zinc/13/93/64/1079139364.db2.gz CFTBPVBBBFHKHZ-QZEKMECESA-N 0 0 400.479 0.685 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000920301444 1079145267 /nfs/dbraw/zinc/14/52/67/1079145267.db2.gz LFJOYPNZGLYXAQ-GFCCVEGCSA-N 0 0 424.431 0.662 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 ZINC000920301446 1079145398 /nfs/dbraw/zinc/14/53/98/1079145398.db2.gz LFJOYPNZGLYXAQ-LBPRGKRZSA-N 0 0 424.431 0.662 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000920443625 1079158583 /nfs/dbraw/zinc/15/85/83/1079158583.db2.gz KNSGDUUQFXNNMP-UHFFFAOYSA-N 0 0 424.523 0.534 20 10 HCCDRN CN1CCN(C(=O)C2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)CC1 ZINC000920451714 1079161630 /nfs/dbraw/zinc/16/16/30/1079161630.db2.gz MIAQEMUGDXZBQA-UHFFFAOYSA-N 0 0 424.523 0.390 20 10 HCCDRN CCN1CCN(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C(=O)C1=O ZINC000920455242 1079161879 /nfs/dbraw/zinc/16/18/79/1079161879.db2.gz YMZLCCCDRHHIME-UHFFFAOYSA-N 0 0 402.495 0.202 20 10 HCCDRN CCN1CCN(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C(=O)C1=O ZINC000920455426 1079162048 /nfs/dbraw/zinc/16/20/48/1079162048.db2.gz DGNVLQURCROVSF-UHFFFAOYSA-N 0 0 406.458 0.094 20 10 HCCDRN COCCN1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O ZINC000920457716 1079163393 /nfs/dbraw/zinc/16/33/93/1079163393.db2.gz UPACEVIFTVCGCG-INIZCTEOSA-N 0 0 409.508 0.033 20 10 HCCDRN COCCN1C[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O ZINC000920457718 1079163331 /nfs/dbraw/zinc/16/33/31/1079163331.db2.gz UPACEVIFTVCGCG-MRXNPFEDSA-N 0 0 409.508 0.033 20 10 HCCDRN Cn1c2ncn(CC(=O)N(Cc3ccco3)Cc3ccccc3O)c2c(=O)n(C)c1=O ZINC000920493534 1079168213 /nfs/dbraw/zinc/16/82/13/1079168213.db2.gz OKWCIDHQABWSRD-UHFFFAOYSA-N 0 0 423.429 0.961 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000920591575 1079184161 /nfs/dbraw/zinc/18/41/61/1079184161.db2.gz FCLYOTXADAMYOO-BETUJISGSA-N 0 0 416.471 0.643 20 10 HCCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(=O)CS(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000920591577 1079184113 /nfs/dbraw/zinc/18/41/13/1079184113.db2.gz FCLYOTXADAMYOO-CHWSQXEVSA-N 0 0 416.471 0.643 20 10 HCCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(=O)CS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000920591579 1079183990 /nfs/dbraw/zinc/18/39/90/1079183990.db2.gz FCLYOTXADAMYOO-STQMWFEESA-N 0 0 416.471 0.643 20 10 HCCDRN CS(=O)(=O)CC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000920594039 1079184621 /nfs/dbraw/zinc/18/46/21/1079184621.db2.gz AVYMNTSXFFQFDF-UHFFFAOYSA-N 0 0 401.396 0.988 20 10 HCCDRN CS(=O)(=O)CC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000920595912 1079185351 /nfs/dbraw/zinc/18/53/51/1079185351.db2.gz OAQYAQHFKYYDJT-UHFFFAOYSA-N 0 0 401.396 0.988 20 10 HCCDRN CCS(=O)(=O)CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000920596372 1079185725 /nfs/dbraw/zinc/18/57/25/1079185725.db2.gz PMTQIWCGKBDCMW-UHFFFAOYSA-N 0 0 402.444 0.256 20 10 HCCDRN C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000920634983 1079196471 /nfs/dbraw/zinc/19/64/71/1079196471.db2.gz AJGREUBXBAENRC-GHMZBOCLSA-N 0 0 413.452 0.033 20 10 HCCDRN C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000920634985 1079196336 /nfs/dbraw/zinc/19/63/36/1079196336.db2.gz AJGREUBXBAENRC-MNOVXSKESA-N 0 0 413.452 0.033 20 10 HCCDRN C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000920634987 1079196515 /nfs/dbraw/zinc/19/65/15/1079196515.db2.gz AJGREUBXBAENRC-QWRGUYRKSA-N 0 0 413.452 0.033 20 10 HCCDRN C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000920634992 1079196427 /nfs/dbraw/zinc/19/64/27/1079196427.db2.gz AJGREUBXBAENRC-WDEREUQCSA-N 0 0 413.452 0.033 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000920635524 1079196466 /nfs/dbraw/zinc/19/64/66/1079196466.db2.gz HGICHSPELFSWNE-UHFFFAOYSA-N 0 0 419.415 0.906 20 10 HCCDRN CC(C)[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCOCC1 ZINC000920636031 1079196539 /nfs/dbraw/zinc/19/65/39/1079196539.db2.gz NZWBSRSXKDIANQ-HNNXBMFYSA-N 0 0 400.453 0.804 20 10 HCCDRN CC(C)[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCOCC1 ZINC000920636034 1079196387 /nfs/dbraw/zinc/19/63/87/1079196387.db2.gz NZWBSRSXKDIANQ-OAHLLOKOSA-N 0 0 400.453 0.804 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1 ZINC000920636326 1079196505 /nfs/dbraw/zinc/19/65/05/1079196505.db2.gz RBSCIIHMUGUBTP-UHFFFAOYSA-N 0 0 413.452 0.049 20 10 HCCDRN C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N(C)CC(=O)NC1CC1 ZINC000920636694 1079196373 /nfs/dbraw/zinc/19/63/73/1079196373.db2.gz XBDRAMRMAMCGGD-JTQLQIEISA-N 0 0 413.452 0.046 20 10 HCCDRN C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N(C)CC(=O)NC1CC1 ZINC000920636695 1079196482 /nfs/dbraw/zinc/19/64/82/1079196482.db2.gz XBDRAMRMAMCGGD-SNVBAGLBSA-N 0 0 413.452 0.046 20 10 HCCDRN Cc1cc(=O)n2nc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)sc2n1 ZINC000920636839 1079196413 /nfs/dbraw/zinc/19/64/13/1079196413.db2.gz NQPHAYNZJPMWPB-UHFFFAOYSA-N 0 0 410.433 0.894 20 10 HCCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000920637025 1079196498 /nfs/dbraw/zinc/19/64/98/1079196498.db2.gz WDSOMDUDTDMBGY-UHFFFAOYSA-N 0 0 422.415 0.966 20 10 HCCDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000920637426 1079196450 /nfs/dbraw/zinc/19/64/50/1079196450.db2.gz DSJKGFHOLNTARC-CYBMUJFWSA-N 0 0 413.452 0.048 20 10 HCCDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000920637427 1079196489 /nfs/dbraw/zinc/19/64/89/1079196489.db2.gz DSJKGFHOLNTARC-ZDUSSCGKSA-N 0 0 413.452 0.048 20 10 HCCDRN CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920638058 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ZINC001212424168 1080188306 /nfs/dbraw/zinc/18/83/06/1080188306.db2.gz YFUAPGBVTBDCDE-UHFFFAOYSA-N 0 0 419.569 0.722 20 10 HCCDRN COc1nscc1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001212455719 1080603646 /nfs/dbraw/zinc/60/36/46/1080603646.db2.gz AWJZMTBUZVEYPY-UHFFFAOYSA-N 0 0 417.534 0.865 20 10 HCCDRN CC1(C)C[C@H](S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC001212455866 1080606425 /nfs/dbraw/zinc/60/64/25/1080606425.db2.gz DLYQEMGYXIZMJQ-INIZCTEOSA-N 0 0 402.538 0.908 20 10 HCCDRN CC1(C)C[C@@H](S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CO1 ZINC001212455868 1080606393 /nfs/dbraw/zinc/60/63/93/1080606393.db2.gz DLYQEMGYXIZMJQ-MRXNPFEDSA-N 0 0 402.538 0.908 20 10 HCCDRN COC[C@@H](CS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC001212456345 1080606998 /nfs/dbraw/zinc/60/69/98/1080606998.db2.gz XYWWNLGVCIYJCB-INIZCTEOSA-N 0 0 406.526 0.002 20 10 HCCDRN COC[C@H](CS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)OC ZINC001212456346 1080606897 /nfs/dbraw/zinc/60/68/97/1080606897.db2.gz XYWWNLGVCIYJCB-MRXNPFEDSA-N 0 0 406.526 0.002 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCO)C[C@@H]3C)CC2)cc1 ZINC001299280032 1081370453 /nfs/dbraw/zinc/37/04/53/1081370453.db2.gz AIMLFQDJCXDSPC-DVBCCOPCSA-N 0 0 416.522 0.425 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCO)C[C@H]3C)CC2)cc1 ZINC001299280033 1081370646 /nfs/dbraw/zinc/37/06/46/1081370646.db2.gz AIMLFQDJCXDSPC-JTHGQSKGSA-N 0 0 416.522 0.425 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(CCO)C[C@H]3C)CC2)cc1 ZINC001299280034 1081370703 /nfs/dbraw/zinc/37/07/03/1081370703.db2.gz AIMLFQDJCXDSPC-LKGOPFMKSA-N 0 0 416.522 0.425 20 10 HCCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CCO)C[C@@H]3C)CC2)cc1 ZINC001299280035 1081370420 /nfs/dbraw/zinc/37/04/20/1081370420.db2.gz AIMLFQDJCXDSPC-ZEVQVBBLSA-N 0 0 416.522 0.425 20 10 HCCDRN O=C(CNC(=O)c1ncccc1O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001626058819 1079801452 /nfs/dbraw/zinc/80/14/52/1079801452.db2.gz JCPXIUXRGCHALZ-UHFFFAOYSA-N 0 0 406.389 0.948 20 10 HCCDRN CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001626058903 1079801881 /nfs/dbraw/zinc/80/18/81/1079801881.db2.gz MGPJABVWQOVDJX-UHFFFAOYSA-N 0 0 414.434 0.953 20 10 HCCDRN